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  • 1.
    Ahmed, Mukhtiar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Bhowmick, Sourav
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Johansson, Patrik
    Materials Physics, Department of Physics, Chalmers University of Technology, 41296 Gothenburg, Sweden.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ionic Liquids and Electrolytes with Flexible Aromatic Anions2023In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 29, no 41, article id e202301000Article in journal (Refereed)
    Abstract [en]

    Five new n-tetrabutylphosphonium (P4444)+ cation based ionic liquids (ILs) with oligoether substituted aromatic carboxylate anions have been synthesized. The nature and position of the oligoether chain affect thermal stability (up to 330 ºC), phase behaviour (Tg < -55 ºC) and ion transport. Furthermore, with the aim of application in lithium batteries, electrolytes were created for two of the ILs by 10 mol% doping using the corresponding Li-salts. This affects the ion diffusion negatively, from being higher and equal for cations and anions to lower for all ions and unequal. This is due to the stronger ionic interactions and formation of aggregates, primarily between the Li+ ions and the carboxylate group of the anions. Electrochemically, the electrolytes have electrochemical stability windows up to 3.5 V, giving some promise for battery application.

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  • 2.
    Ahmed, Mukhtiar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Johansson, Patrik
    Materials Physics, Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Luleå University of Technology Chemistry of Interfaces Luleå University of Technology 97187 Luleå SWEDEN.
    Pyrrolidium‐ and Imidazolium‐Based Ionic Liquids and Electrolytes with Flexible Oligoether Anions2024In: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641Article in journal (Refereed)
  • 3.
    Ahmed, Mukhtiar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rao, Soniya S.
    Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Johansson, Patrik
    Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Aromatic Heterocyclic Anion Based Ionic Liquids and Electrolytes2023In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 25, no 4, p. 3502-3512Article in journal (Refereed)
    Abstract [en]

    Five new ionic materials comprising fluorine-free aromatic heterocyclic anions based on pyridine and pyrazine combined with a common n-tetrabutylphosphonium cation, (P4444)+, result in two room temperature ionic liquids (RTILs), one semi-solid, and two organic ionic plastic crystals (OIPCs) with melting points >20 °C. The OIPCs showed a plastic crystalline phase, multiple solid–solid transitions, and plastic crystalline and melt phases. For both the neat RTILs and the Li+ conducting electrolytes, the nature and strength of the ion–ion interactions mainly depend on the position of the nitrogen atom with respect to the carboxylate group in the anions. Furthermore, for the RTILs the ionic conductivity is effected by the electronic structure and flexibility of the ions and the anions diffuse faster than the (P4444)+ cation, but are slowed down in the electrolytes due to the strong electrostatic interactions between the carboxylate group of the anions and the Li+, as shown both experimentally and computationally. Overall, this study describes the effect of structural tuning of aromatic anions on the ion–ion interactions and introduces new ionic materials with promising properties to be used as solid and liquid electrolytes in energy storage devices.

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  • 4.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, “Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Wu, Muqiu
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Atomic force microscopy probing interactions and microstructures of ionic liquids at solid surfaces2022In: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, no 14, p. 11098-11128Article, review/survey (Refereed)
    Abstract [en]

    Ionic liquids (ILs) are room temperature molten salts that possess preeminent physicochemical properties and have shown great potential in many applications. However, the use of ILs in surface-dependent processes, e.g. energy storage, is hindered by the lack of a systematic understanding of the IL interfacial microstructure. ILs on the solid surface display rich ordering, arising from coulombic, van der Waals, solvophobic interactions, etc., all giving near-surface ILs distinct microstructures. Therefore, it is highly important to clarify the interactions of ILs with solid surfaces at the nanoscale to understand the microstructure and mechanism, providing quantitative structure–property relationships. Atomic force microscopy (AFM) opens a surface-sensitive way to probe the interaction force of ILs with solid surfaces in the layers from sub-nanometers to micrometers. Herein, this review showcases the recent progress of AFM in probing interactions and microstructures of ILs at solid interfaces, and the influence of IL characteristics, surface properties and external stimuli is thereafter discussed. Finally, a summary and perspectives are established, in which, the necessities of the quantification of IL–solid interactions at the molecular level, the development of in situ techniques closely coupled with AFM for probing IL–solid interfaces, and the combination of experiments and simulations are argued.

  • 5.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China. Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Qiu, Xiuhua
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Riehemann, Kristina
    Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Fuchs, Harald
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China. Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Controlling the nanoscale friction by layered ionic liquid films2020In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 22, no 26, p. 4941-14952Article in journal (Refereed)
    Abstract [en]

    The nanofriction coefficient of ionic liquids (ILs), 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), on the surfaces of mica and graphite was investigated using atomic force microscopy (AFM). A pronounced layered spatial distribution was found in the IL film formed on the solid substrates and can be divided into 3 well distinguishable regions exhibiting different physical properties with increasing distance from the substrate. We found that the friction coefficient (μ) increases monotonically as the layering thickness decreases, no matter what the thickness of the bulk IL is. This suggests that the layering assembled IL at solid surfaces is more important than the bulk phase in determining the magnitude of the nanoscale friction. The increase in the friction coefficient as the layering thickness decreases is most likely attributed to the assembled ordered IL layers closer to the substrate surfaces having a greater activation barrier for unlocking the surfaces to allow shear.

  • 6.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Wei, Yudi
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Qiu, Xiuhua
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Dai, Zhongyang
    High Performance Computing Department, National Supercomputing Center in Shenzhen, Shenzhen, 518055, China.
    Wu, Muqiu
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Gnecco, Enrico
    Otto Schott Institute of Materials Research (OSIM), Friedrich Schiller University Jena, Jena, 07743, Germany.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Zhang, Wenling
    School of Mechanical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
    Ionic liquids on uncharged and charged surfaces: In situ microstructures and nanofriction2022In: Friction, ISSN 2223-7690, E-ISSN 2223-7704, Vol. 10, no 11, p. 1893-1912Article in journal (Refereed)
    Abstract [en]

    In situ changes in the nanofriction and microstructures of ionic liquids (ILs) on uncharged and charged surfaces have been investigated using colloid probe atomic force microscopy (AFM) and molecular dynamic (MD) simulations. Two representative ILs, [BMIM][BF4] (BB) and [BMIM][PF6] (BP), containing a common cation, were selected for this study. The torsional resonance frequency was captured simultaneously when the nanoscale friction force was measured at a specified normal load; and it was regarded as a measure of the contact stiffness, reflecting in situ changes in the IL microstructures. A higher nanoscale friction force was observed on uncharged mica and highly oriented pyrolytic graphite (HOPG) surfaces when the normal load increased; additionally, a higher torsional resonance frequency was detected, revealing a higher contact stiffness and a more ordered IL layer. The nanofriction of ILs increased at charged HOPG surfaces as the bias voltage varied from 0 to 8 V or from 0 to —8 V. The simultaneously recorded torsional resonance frequency in the ILs increased with the positive or negative bias voltage, implying a stiffer IL layer and possibly more ordered ILs under these conditions. MD simulation reveals that the [BMIM]+ imidazolium ring lies parallel to the uncharged surfaces preferentially, resulting in a compact and ordered IL layer. This parallel “sleeping” structure is more pronounced with the surface charging of either sign, indicating more ordered ILs, thereby substantiating the AFM-detected stiffer IL layering on the charged surfaces. Our in situ observations of the changes in nanofriction and microstructures near the uncharged and charged surfaces may facilitate the development of IL-based applications, such as lubrication and electrochemical energy storage devices, including supercapacitors and batteries.

  • 7.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China. Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms, Universität Münster, Münster, Germany .
    Wu, Muqiu
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China.
    Li, Jing
    State Key Laboratory of Materials Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China.
    Qiu, Xiuhua
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Li, Jianliang
    Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P.R. China.
    On the Ionic Liquid Film ‘Pinned’ by Core-Shell Structured Fe3O4@Carbon Nanoparticles and Their Tribological Properties2019In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 21, no 48, p. 26387-26398Article in journal (Refereed)
    Abstract [en]

    A strongly ‘pinned’ ionic liquid (IL, [BMIM][PF6]) film onto silicon (Si) surface via carbon capsuled Fe3O4 core-shell (Fe3O4@C) nanoparticles is achieved, revealing excellent friction-reducing ability at a high load. The adhesion force is measured as ~ 198 nN at the Fe3O4@C-Si interface by Fe3O4@C colloidal AFM tip, which is stronger than that at both Fe3O4@C-Fe3O4@C (~ 60 nN) and IL-Si (~ 10 nN) interfaces, indicating a strong ‘normal pin-force’ towards the Si substrate. The resulting strengthened force enables the formation of lateral IL networks via the dipole-dipole attractions among Fe3O4 cores. The observed blue shift of the characteristic band related to the IL anion in ATR-FTIR spectra confirmed the enhanced interaction. The N-Si, P-O chemical bonds formed as a result of the IL interactions with the Si substrate confirmed by XPS spectroscopy suggested that the IL lay on the Si plane. This orientation is favorable for Fe3O4@C nanoparticles to exert ‘normal pin-force’ and press the IL film strongly onto surfaces. The IL ios/clusters are thus anchored by these Fe3O4@C ‘pins’ onto the substrate to form a dense film, resulting in a smaller interaction size parameter, which is responsible for the reduced friction coefficient μ.

  • 8. An, Rong
    et al.
    Wu, Nanhua
    Gao, Qingwei
    Dong, Yihui
    Laaksonen, Aatto
    Stockholm University, Science for Life Laboratory (SciLifeLab). Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Physical Chemistry. Luleå University of Technology, Sweden; ‘‘Petru Poni” Institute of Macromolecular Chemistry, Romania; Nanjing Tech University, China.
    Shah, Faiz Ullah
    Ji, Xiaoyan
    Fuchs, Harald
    Integrative studies of ionic liquid interface layers: bridging experiments, theoretical models and simulations2024In: Nanoscale Horizons, ISSN 2055-6764, E-ISSN 2055-6756Article, review/survey (Refereed)
    Abstract [en]

    Ionic liquids (ILs) are a class of salts existing in the liquid state below 100 degrees C, possessing low volatility, high thermal stability as well as many highly attractive solvent and electrochemical capabilities, etc., making them highly tunable for a great variety of applications, such as lubricants, electrolytes, and soft functional materials. In many applications, ILs are first either physi- or chemisorbed on a solid surface to successively create more functional materials. The functions of ILs at solid surfaces can differ considerably from those of bulk ILs, mainly due to distinct interfacial layers with tunable structures resulting in new ionic liquid interface layer properties and enhanced performance. Due to an almost infinite number of possible combinations among the cations and anions to form ILs, the diversity of various solid surfaces, as well as different external conditions and stimuli, a detailed molecular-level understanding of their structure-property relationship is of utmost significance for a judicious design of IL-solid interfaces with appropriate properties for task-specific applications. Many experimental techniques, such as atomic force microscopy, surface force apparatus, and so on, have been used for studying the ion structuring of the IL interface layer. Molecular Dynamics simulations have been widely used to investigate the microscopic behavior of the IL interface layer. To interpret and clarify the IL structure and dynamics as well as to predict their properties, it is always beneficial to combine both experiments and simulations as close as possible. In another theoretical model development to bridge the structure and properties of the IL interface layer with performance, thermodynamic prediction & property modeling has been demonstrated as an effective tool to add the properties and function of the studied nanomaterials. Herein, we present recent findings from applying the multiscale triangle experiment-simulation-thermodynamic modeling in the studies of ion structuring of ILs in the vicinity of solid surfaces, as well as how it qualitatively and quantitatively correlates to the overall ILs properties, performance, and function. We introduce the most common techniques behind experiment-simulation-thermodynamic modeling and how they are applied for studying the IL interface layer structuring, and we highlight the possibilities of the IL interface layer structuring in applications such as lubrication and energy storage. Integrative experiment-simulation-thermodynamic modeling is highly demanded for qualitatively and quantitatively correlating the ionic liquids interface layer structuring to the overall properties, performance, and function.

  • 9.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Wu, Nanhua
    Key Laboratory of Advanced Catalytic Materials and Technology, School of Petrochemical Engineering, Changzhou University, Changzhou 213164, China.
    Gao, Qingwei
    College of Environmental and Chemical Engineering, Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, Shanghai University of Electric Power, Shanghai 200090, China.
    Dong, Yihui
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot, 76100, Israel.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Fuchs, Harald
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China; Center for Nanotechnology (CeNTech), Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Integrative Studies of Ionic Liquid Interface Layers: Bridging Experiments, Theoretical Models and Simulations2024In: Nanoscale Horizons, ISSN 2055-6756Article in journal (Refereed)
    Abstract [en]

    Ionic liquids (ILs) are a class of salts existing in the liquid state below 100 C, possessing low volatility, high thermal stability as well as many highly attractive solvent and electrochemical capabilities, etc., making them highly tunable for a great variety of applications, such as lubricants, electrolytes, and soft functional materials. In many applications, ILs are first either physi- or chemisorbed on a solid surface to successively create more functional materials. The functions of ILs at solid surfaces can differ considerably from those of bulk ILs, mainly due to distinct interfacial layers with tunable structures resulting in new ionic liquid interface layer (ILIL) properties and enhanced performance. Due to an almost infinite number of possible combinations among the cations and anions to form ILs, the diversity of various solid surfaces, as well as different external conditions and stimuli, a detailed molecular-level understanding of their structure–property relationship is of utmost significance for a judicious design of IL–solid interfaces with appropriate properties for task-specific applications. Many experimental techniques, such as atomic force microscopy, surface force apparatus, and so on, have been used for studying the ion structuring of ILIL. Molecular Dynamics simulations have been widely used to investigate the microscopic behavior of the ILIL. To interpret and clarify the IL structure and dynamics as well as to predict their properties, it is always beneficial to combine both experiments and simulations as close as possible. In another theoretical model development to bridge the structure and properties of ILIL with performance, thermodynamic (TD) prediction & property modeling has been demonstrated as an effective tool to add the properties and function of the studied nanomaterials. Herein, we present recent findings from applying the multiscale triangle “experiment–molecular simulation–TD modeling” in the studies of ion structuring of ILs in the vicinity of solid surfaces, as well as how it qualitatively and quantitatively correlates to the overall ILs properties, performance, and function. We introduce the most common techniques behind “experiment–molecular simulation–modeling” and how they are applied for studying the ILIL structuring, and we highlight the possibilities of the ILIL structuring in applications such as lubrication and energy storage.

  • 10.
    An, Rong
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing.
    Zhou, Guobing
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Zhu, Wei
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Huang, Liangliang
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence2018In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 5, no 14, article id 1800263Article in journal (Refereed)
    Abstract [en]

    The atomic force microscopy experiments and nonequilibrium molecular dynamics (NEMD) simulations demonstrate a negative friction–load dependence to ionic liquid–glycol ether mixtures, that is, the friction decreases as the normal load increases. NEMD simulations reveal a structural reorientation of the studied ionic liquid (IL): as the normal load increases, the cation alkyl chains of ILs change the orientation to preferentially parallel to the tip scanning path. The flat‐oriented IL structures, similar to the “blooming lotus leaf,” produce a new sliding interface and reduce the friction. A further molecular dynamics simulation is carried out by adopting slit‐pore models to mimic the tip approaching process to confirm the dynamics of ILs. A faster diffusion of ILs in the smaller slit pore is observed. The faster diffusion of ILs in the more confined slit pore facilitates the structural reorientation of ILs. The resulted new sliding surface is responsible for the observed smaller friction at higher loads, also known as the negative friction–load dependence. These findings provide a fundamental explanation to the role of ILs in interfacial lubrications. They help to understand liquid flow properties under confinement, with implications for the development of better nanofluidic devices.

  • 11.
    An, Rong
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing.
    Zhou, Guobing
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Zhu, Wei
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University.
    Huang, Liangliang
    School of Chemical Biological and Materials Engineering, University of Oklahoma.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Friction of Ionic Liquid–Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence2018In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 5, no 14, article id 1800266Article in journal (Refereed)
    Abstract [en]

    Structural reorientation of alkyl chains in the phosphonium cation of orthoborate ionic liquid mixed with glycol ether occurs with increasing normal load of the AFM tip. The flat reoriented structure, similar to the ‘blooming lotus leaf’, produces a new sliding interface that is responsible for the observed lower friction at higher loads. This work is reported by Rong An, Liangliang Huang, Faiz Ullah Shah and co‐workers in article number 1800263.

  • 12.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Geosciences and Environmental Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Glavatskikh, Sergei
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Högprestandasmörjmedel och tillsatser till smörjmedel för järnhaltiga och icke järnhaltiga material2011Patent (Other (popular science, discussion, etc.))
  • 13.
    Antzutkin, Oleg
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ullah Shah, Faiz
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Geosciences and Environmental Engineering.
    Glavatskikh, Sergei
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Ionic-liquid-based lubricants and lubrication additives comprising ions2012Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    Anti-wear and friction-reducing lubricants and additives to lubricants for both ferrous and non-ferrous materials with/without DLC (diamiond-like-coatings) or graphene-based coatings, which are halogen free boron based ionic liqs. comprising a combination of an anion chosen from a mandelato borate anion, a salicylato borate anion, an oxalato borate anion, a malonato borate anion, a succinato borate anion, a glutarato borate anion and an adipato borate anion, with at least one cation selected from a tetraalkylphosphonium cation, a choline cation, an imidazolium cation and a pyrrolidinium cation, wherein said at least one cation has at least one alkyl group substituent with the general formula CnH2n+1 , wherein 1≤n≤80. Advantages of the invention include that it provides halogen free ionic liqs. for lubrication and that sensitivity for hydrolysis is reduced.

  • 14.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Institute of Physics, Kazan Federal University, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    High CO2 absorption capacity by chemisorption at cations and anions in choline-based ionic liquids2017In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 46, p. 31216-31226Article in journal (Refereed)
    Abstract [en]

    The effect of CO2 absorption on the aromaticity and hydrogen bonding in ionic liquids is investigated. Five different ionic liquids with choline based cations and aprotic N-heterocyclic anions were synthesized. Purity and structures of the synthesized ionic liquids were characterized by 1H and 13C NMR spectroscopy. CO2 capture performance was studied at 20 °C and 40 °C under three different pressures (1, 3, 6 bar). The IL [N1,1,6,2OH][4-Triz] showed the highest CO2 capture capacity (28.6 wt%, 1.57 mol of CO2 per mol of the IL, 6.48 mol of CO2 per kg of the ionic liquid) at 20 °C and 1 bar. The high CO2 capture capacity of the [N1,1,6,2OH][4-Triz] IL is due to the formation of carbonic acid (–OCO2H) together with carbamate by participation of the –OH group of the [N1,1,6,2OH]+ cation in the CO2 capture process. The structure of the adduct formed by CO2 reaction with the IL [N1,1,6,2OH][4-Triz] was probed by using IR, 13C NMR and 1H–13C HMBC NMR experiments utilizing 13C labeled CO2 gas. 1H and 13C PFG NMR studies were performed before and after CO2 absorption to explore the effect of cation–anion structures on the microscopic ion dynamics in ILs. The ionic mobility was significantly increased after CO2 reaction due to lowering of aromaticity in the case of ILs with aromatic N-heterocyclic anions.

  • 15.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Insights into the Effect of CO2 Absorption on the Ionic Mobility of Ionic Liquids2016In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 18, no 41, p. 28617-28625Article in journal (Refereed)
    Abstract [en]

    We investigate a comparative effect of CO2 absorption on the ionic mobility of two choline based ionic liquids comprising two different anions such as threonine and imidazole. The synthesized ionic liquids were characterized using 1H and 13C NMR and other spectroscopic techniques. By keeping a common cation and changing the anion from threonine to imidazole both the viscosity and density reduced drastically. We found that [N1,1,6,2OH][Imi] exhibits the highest CO2 capture capacity at 20 °C of 5.27 mol of CO2 per kg of ionic liquid (1.27 mol of CO2 per mol of ionic liquid, 23.26 wt% of CO2) whereas [N1,1,6,2OH][Threo] exhibits 3.6 mol of CO2 per kg of ionic liquid (1.05 mol of CO2 per mol of ionic liquid, 15.87 wt% of CO2). The activation energy for diffusion is calculated using the Vogel-Fulcher-Tamman (VFT) equation in the form of diffusivity. It was found that the activation energy for the diffusion of [N1,1,6,2OH][Threo] is ∼10 times higher than that of [N1,1,6,2OH][Imi]. 1H diffusion NMR data revealed that the diffusivity of [N1,1,6,2OH][Imi] is increased after CO2 absorption whereas a decrease in diffusivity was observed in the case of [N1,1,6,2OH][Threo]. This anomalous behavior of [N1,1,6,2OH][Imi] was further explained by using DFT calculations.

  • 16.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ether Functionalized Choline Tethered Amino Acid Ionic Liquids for Enhanced CO2 Capture2016In: ACS Sustainable Chemistry and Engineering, E-ISSN 2168-0485, Vol. 4, no 10, p. 5441-5449Article in journal (Refereed)
    Abstract [en]

    Amino acid ionic liquids (ILs) are the most interesting and effective for CO2 capture due to their low toxicity, biodegradability and fast reactivity towards CO2. Ionic nature of amino acid ILs can raise an environmental issue if the cation counterpart becomes toxic to the aquatic ecosystems and can become potential atmospheric pollutant. In this regard, choline based ILs are known to be promising scaffolds for the development of less toxic amino acid ILs. However, the existing choline amino acid ILs are highly viscous limiting their applicability as solvents. Ether functionalized choline based amino acid ILs with novel series of less toxic green ILs were explored with reduced viscosity and high CO2 capture capacity. A simple, economic, clean and environmentally benign method was utilized for the synthesis of novel choline based amino acid ILs using a commercially available and economical starting material 2-(dimethylamino)ethanol (deanol, a human dietary food supplement). Reported ILs have low viscosity with high CO2 capture capacity (1.62 mol of CO2 /mol of IL, 4.31 mol of CO2/kg of IL, 19.02 wt.% of CO2). Mechanism of [N1,1,6,2O4][Lys]+CO2 reaction and adduct structure was proposed by means of DFT and NMR.

  • 17.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Functionalized Choline Based Amino Acid Ionic Liquids: Scope Of Bio-ILs2016Conference paper (Refereed)
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  • 18.
    Bhattacharyya, Shubhankar
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Thermal stability of choline based amino acid ionic liquids2018In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 266, p. 597-602Article in journal (Refereed)
    Abstract [en]

    Thermal stability of different choline based amino acid ionic liquids were studied. Both short term as well as long term thermal studies were carried out. Long term thermal studies of all ILs were carried out by isothermal TGA and short term thermal studies were measured by temperature ramped TGA. Isothermal TGA were studied at two different temperatures 100 °C and 150 °C for 500 min. Whereas, short term thermal stability represents as T2%, T5% and T10% which are the temperature at which 2%, 5% and 10% mass loss of ILs were observed. The effect of alkyl side chain on the cation, etherification of the cation as well structural variation of anion on the thermal stability of choline based ILs were investigated. It was observed that thermal characteristics of ILs towards temperature ramped TGA were different compared to isothermal TGA.

  • 19.
    Bhowmick, Sourav
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ahmed, Mukhtiar
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Loaiza, Laura C.
    Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Johansson, Patrik
    Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden; ALISTORE-European Research Institute, CNRS FR 3104, Hub de l’Energie, 80039 Amiens, France.
    Ambient Temperature Liquid Salt Electrolytes2023In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 59, no 18, p. 2620-2623Article in journal (Refereed)
    Abstract [en]

    Alkali metal salts usually have high melting points due to strong electrostatic interactions and solvents are needed to create ambient temperature liquid electrolytes. Here, we report on six phosphate-anion-based alkali metal salts, Li/Na/K, all of which are liquids at room temperature, with glass transition temperatures ranging from −61 to −29 °C, and are thermally stable up to at least 225 °C. While the focus herein is on various physico-chemical properties, these salts also exhibit high anodic stabilities, up to 6 V vs. M/M+ (M = Li/Na/K), and deliver some battery performance – at elevated temperatures as there are severe viscosity limitations at room-temperature. While the battery performance arguably is sub-par, solvent-free electrolytes based on alkali metal salts such as these should pave the way for conceptually different Li/Na/K-batteries, either by refined anion design or by using several salts to create eutectic mixtures.

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  • 20.
    Bhowmick, Sourav
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Khan, Inayat Ali
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Physical and electrochemical properties of new structurally flexible imidazolium phosphate ionic liquids2022In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 24, no 38, p. 23289-23300Article in journal (Refereed)
    Abstract [en]

    New structurally flexible 1-methyl- and 1,2-dimethyl-imidazolium phosphate ionic liquids (ILs) bearing oligoethers have been synthesized and thoroughly characterized. These novel ILs revealed high thermal stabilities, low glass transitions, high conductivity and wide electrochemical stability windows up to 6 V. Both anions and cations of 1-methyl-imidazolium ILs diffuse faster than the ions of 1,2-dimethyl-imidazolium ILs, as determined by pulsed field gradient nuclear magnetic resonance (PFG-NMR). The 1-methyl-imidazolium phosphate ILs showed relatively higher ionic conductivities and ion diffusivity as compare with the 1,2-dimethyl-imidazolium phosphate ILs. As expected, the diffusivity of all the anions and cations increases with an increase in the temperature. The 1-methyl-imidazolium phosphate ILs formed hydrogen bonding with the phosphate anions, the strength of which is decreased with increasing temperature, as confirmed by variable temperature 1H and 31P NMR spectroscopy. One of the representative IL, [EmDMIm][DEEP], presented a promising performance at elevated temperatures as an electrolyte in a supercapacitor composed of multiwall carbon nanotubes and activated charcoal (MWCNTs/AC) composite electrodes.

  • 21.
    Bhowmick, Sourav
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Tatrari, Gaurav
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Johansson, Patrik
    Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden; ALISTORE-European Research Institute, CNRS FR 3104, Hub de l’Energie, 80039 Amiens, France.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Structurally Flexible Pyrrolidinium- and Morpholinium-based Ionic Liquid Electrolytes2023In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 25, no 29, p. 19815-19823Article in journal (Refereed)
    Abstract [en]

    Ion transport measures and details as well as physico-chemical and electrochemical properties are presented for a small set of structurally flexible pyrrolidinium (Pyrr) and morpholinium (Morph) cation-based ionic liquids (ILs), all with oligoether phosphate-based anions. All have high thermal stabilities, low glass transition temperatures, and wide electrochemical stability windows, but rather moderate ionic conductivities, whereas both the anions and the cations of the Pyrr-based ILs diffuse faster than those of the Morph-based ILs. Overall the former ILs have significantly more promise as high-temperature supercapacitor electrolytes, rendering a specific capacitance of 164 F g−1 at 1 mV s−1, a power density of 241 W kg−1 and a specific energy density of 30 Wh kg−1 at 90 °C in a symmetric graphite supercapacitor.

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  • 22.
    Dong, Yihui
    et al.
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 76100, Israel.
    Gong, Mian
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm SE-10691, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    An, Rong
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Phosphonium-Based Ionic Liquid Significantly Enhances SERS of Cytochrome c on TiO2 Nanotube Arrays2022In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 14, no 23, p. 27456-27465Article in journal (Refereed)
    Abstract [en]

    Surface-enhanced Raman scattering (SERS) is an attractive technique for studying trace detection. It is of utmost importance to further improve the performance and understand the underlying mechanisms. An ionic liquid (IL), the anion of which is derived from biomass, [P6,6,6,14][FuA] was synthesized and used as a trace additive to improve the SERS performance of cytochrome c (Cyt c) on TiO2 nanotube arrays (TNAs). An increased and better enhancement factor (EF) by four to five times as compared to the system without an IL was obtained, which is better than that from using the choline-based amino acid IL previously reported by us. Dissociation of the ILs improved the ionic conductivity of the system, and the long hydrophobic tails of the [P6,6,6,14]+ cation contributed to a strong electrostatic interaction between Cyt c and the TNA surface, thereby enhancing the SERS performance. Atomic force microscopy did verify strong electrostatic interactions between the Cyt c molecules and TNAs after the addition of the IL. This work demonstrates the importance of introducing the phosphonium-based IL to enhance the SERS performance, which will stimulate further development of more effective ILs on SERS detection and other relevant applications in biology.

  • 23. Dong, Yihui
    et al.
    Gong, Mian
    Shah, Faiz Ullah
    Laaksonen, Aatto
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Luleå University of Technology, Sweden; ‘‘Petru Poni” Institute of Macromolecular Chemistry, Romania; Nanjing Tech University, China.
    An, Rong
    Ji, Xiaoyan
    Phosphonium-Based Ionic Liquid Significantly Enhances SERS of Cytochrome c on TiO2 Nanotube Arrays2022In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 14, no 23, p. 27456-27465Article in journal (Refereed)
    Abstract [en]

    Surface-enhanced Raman scattering (SERS) is an attractive technique for studying trace detection. It is of utmost importance to further improve the performance and understand the underlying mechanisms. An ionic liquid (IL), the anion of which is derived from biomass, [P6,6,6,14][FuA] was synthesized and used as a trace additive to improve the SERS performance of cytochrome c (Cyt c) on TiO2 nanotube arrays (TNAs). An increased and better enhancement factor (EF) by four to five times as compared to the system without an IL was obtained, which is better than that from using the choline-based amino acid IL previously reported by us. Dissociation of the ILs improved the ionic conductivity of the system, and the long hydrophobic tails of the [P6,6,6,14]+ cation contributed to a strong electrostatic interaction between Cyt c and the TNA surface, thereby enhancing the SERS performance. Atomic force microscopy did verify strong electrostatic interactions between the Cyt c molecules and TNAs after the addition of the IL. This work demonstrates the importance of introducing the phosphonium-based IL to enhance the SERS performance, which will stimulate further development of more effective ILs on SERS detection and other relevant applications in biology.

  • 24.
    Fan, Pengpeng
    et al.
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P. R. China.
    Qiu, Xiuhua
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P. R. China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ji, Qingmin
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P. R. China.
    An, Rong
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, P. R. China. Center for Nanotechnology (CeNTech), Institute of Physics, Westfälische Wilhelms-Universität Münster, Münster, Germany.
    The effect of nanoscale friction of mesoporous carbon supported ionic liquids on the mass transfer of CO2 adsorption2020In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 22, no 3, p. 1097-1106Article in journal (Refereed)
    Abstract [en]

    Supported ionic liquids (ILs) are attractive alternatives for CO2 capture and the thickness of supported IL films plays a critical role in the CO2 mass transfer rate. However, the dependence of CO2 uptake on the IL film thickness differs as the system varies. In this work, atomic force microscopy (AFM) is employed to probe the ‘nanofriction coefficient’ to characterize the mobility of ILs at the solid interface, in which, the smaller the nanofriction coefficient, the faster are the ionic mobility and CO2 mass transfer. A monotonic and almost linear relationship for supported IL films is obtained between the resistance of CO2 mass transfer (1/k) and the nanofriction coefficient (μ), avoiding the controversy over the effect of supported IL film thickness on CO2 adsorption. The enhanced mass transfer of CO2 adsorption at IL-solid interfaces is observed at smaller resistance 1/k and friction coefficient μ. The low-friction driven local mobility (diffusion) of ILs at solid interfaces is enhanced, promoting the exchange mixing of the ILs adsorbing CO2 with the ‘blank-clean’ ions of the ILs, and thus accelerating the CO2 mass transfer. The proposed correlation links the nanoscale friction with the mass transfer of CO2 adsorption, providing a fresh view on the design of ultra-low frictional supported ILs for enhanced CO2 capture and separation processes.

  • 25.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, 420012 Kazan, Russia.
    Alexandrov, Artem S.
    Kazan Federal University, 420008 Kazan, Russia.
    Gimatdinov, Rustam
    Kazan State Medical University, 420012 Kazan, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Unusual ion transport behaviour of ethylammonium nitrate mixed with lithium nitrate2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 340, article id 116841Article in journal (Refereed)
    Abstract [en]

    The diffusivity of ions and ionic conductivity of ethylammonium nitrate (EAN) mixed with lithium nitrate (LiNO3) has been carried out as a function of Li-salt concentration and temperature. An unusual behavior of ion diffusivities and ionic conductivities of the mixtures are observed over a range of Li-salt concentration and temperature. The diffusivities of EA+ and Li+, as measured by pulsed-field gradient (PFG) nuclear magnetic resonance (NMR) diffusometry, are found to be comparable in the lower temperature range. An overall decrease in the ion diffusivity is observed with an increase in the concentration of LiNO3. A lower degree of dissociation of ionic complexes in the presence lower concentration of the Li-salt (less than 6 mol. %) resulted in lower ionic conductivity. In the higher concentration range of Li-salt the Li+ diffusivity is monotonously decreased with an increase in the concentration. In the lower concentration range, the Li+ diffusivity exceeded the diffusivity of EA+ cation demonstrating the release of Li+ from the associates. Being enclosed between glass plates, the diffusivities of EA+ and Li+ showed peculiarities similar to the earlier observed results for neat nitrate ILs: accelerated diffusivity of cations and reversible alteration of diffusivities under the influence of strong static magnetic field.

  • 26.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russia.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry, UK.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rapid carbene formation increasing ion diffusivity in an imidazolium acetate ionic liquid confined between polar glass plates2019In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 21, no 40, p. 22531-22538Article in journal (Refereed)
    Abstract [en]

    1-Ethyl-3-methyl-imidazolium acetate ([EMIM][OAc]) is one of the most widely used ionic liquids for various applications. This study is focussed on the chemical stability of [EMIM][OAc] on the surfaces of polar glass plates. 1H and 13C NMR spectroscopy and NMR diffusometry of [EMIM][OAc] IL confined between glass plates with a specific surface area 105–106 m−1 are thoroughly investigated. A rapid and spontaneous reaction took place on the surfaces of glass plates leading to the formation of neutral chemical moieties as evident by the appearance of new signals in the 1H NMR spectra. These new products are assigned as N-heterocyclic carbene (NHC) and acetic acid. These neutral chemical moieties have significantly increased the ion diffusivity by dissociation of the cation and the anion in [EMIM][OAc] IL. The yield and rate of formation of NHC and acetic acid are found to increase with the increasing surface area of polar glass plates and the time of contact between the IL and glass surfaces. Based on NMR spectroscopy, a dissociative reaction mechanism is proposed for the formation of free NHC in the neat [EMIM][OAc] IL.

  • 27.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russia.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry, UK.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Reactivity of CO2 with aqueous choline-based ionic liquids probed by solid-state NMR spectroscopy2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 286, article id 110918Article in journal (Refereed)
    Abstract [en]

    CO2 absorption in a series of choline-based ionic liquids is investigated using solid-state 13C and 15N MAS NMR spectroscopy. Natural abundance and 13C enriched CO2 gas was purged through 50 wt% aqueous solutions of alkyldimethyl(2-hydroxyethyl)ammonium threonine, [N1,1,n,2OH][Threo], (alkyl = butyl, pentyl and hexyl) and pentyldimethyl(2-hydroxyethyl)ammonium taurine [N1,1,5,2OH][Tau]. The process of CO2 absorption results in precipitation of a solid sediment, which stays in equilibrium with the liquid phase. Upon degassing of the sample, the sediment is dissolved back into the IL-aqueous phase. Solid state 13C and 15N MAS NMR data suggest that the solid sediment is composed of neutral threonine (or taurine) in the zwitterionic forms and the liquid phase contained the products of reactions between the ionic liquids and CO2 molecules. A plausible mechanism for formation of the solid sediments and the reaction products in liquid phases is suggested.

  • 28.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan State Medical University, Kazan, Russia.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry, U.K.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Understanding the Interaction of Boric Acid and CO2 with Ionic Liquids in Aqueous Medium by Multinuclear NMR Spectroscopy2020In: ACS Sustainable Chemistry and Engineering, E-ISSN 2168-0485, Vol. 8, no 1, p. 552-560Article in journal (Refereed)
    Abstract [en]

    Boric acid is known to enhance the kinetics of CO2 absorption by some active aqueous solutions. However, the mechanism of interaction of boric acid with CO2 in the presence of active molecules is not yet fully understood. In this work, the interaction and dynamics of ions in aqueous solutions of functionalized choline-based ionic liquids [N1,1,5,2OH][Threo] and [N1,1,5,2OH][Tau] in the presence of boric acid and CO2 was thoroughly investigated using a multinuclear NMR approach: 13C and 11B NMR spectroscopy, 11B NMR transverse relaxation, and 1H and 11B NMR diffusometry. 13C and 11B NMR spectroscopy revealed the formation of borate-based complexes as a result of a reaction between boric acid and the anions of the ILs at ionic liquid/boric acid molar ratios larger than ca. 0.15. The formation of these complexes and their dynamics were further investigated using 11B relaxation and 1H and 11B pulse-field-gradient (PFG) NMR. Plausible reaction mechanisms of boric acid with the anions of the ILs, formation of the borate complexes, and dissociation of these complexes facilitated by CO2 molecules are suggested.

  • 29.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Azancheev, Nail
    Institute of Physics, Kazan Federal University, Kazan, Russia.
    Gibaydullin, Amal
    Institute of Physics, Kazan Federal University, Kazan, Russia.
    Bhattacharyya, Shubhankar
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg N.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Dynamic Properties of Imidazolium Orthoborate Ionic Liquids Mixed with Polyethylene Glycol Studied by NMR Diffusometry and Impedance Spectroscopy2018In: Magnetic Resonance in Chemistry, ISSN 0749-1581, E-ISSN 1097-458X, Vol. 56, no 2, p. 113-119Article in journal (Refereed)
    Abstract [en]

    We used 1H pulsed field gradient (PFG) NMR to study the self-diffusion of polyethylene glycol (PEG) with average molecular mass of 200 and ions in mixtures of PEG with imidazolium bis(mandelato)borate (BMB) and imidazolium bis(oxalato)borate (BOB) ionic liquids (ILs). The ionic liquid was mixed with PEG in the concentration range of 0–100 wt%. Within the temperature range of 295 to 353 K, the diffusion coefficient of BMB is slower than that of the imidazolium cation. The diffusion coefficients of PEG, as well as the imidazolium cation and BMB anions, differ under all experimental conditions tested. This demonstrates that the IL in the mixture is present in at least a partially dissociated state. Generally, increasing the concentration of PEG leads to an increase in the diffusion coefficients of PEG and both the ions, and decreases their activation energy for diffusion. NMR chemical shift alteration analysis showed that the presence of PEG changes the chemical shifts of both ions but in different directions. Impedance spectroscopy was used to measure the ionic conductivity of the ionic liquids mixed with PEG.

  • 30.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Azancheev, Nail
    Kazan (Volga Region) Federal University, Kazan, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Glavatskikh, Sergei
    System and Component Design, KTH Royal Institute of Technology, SE-10 044, Stockholm, Sweden; Department of Mechanical Construction and Production, Ghent University, B-9000, Ghent, Belgium.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Self-Diffusion of Phosphonium Bis(Salicylato)Borate Ionic Liquid in Pores of Vycor Porous Glass2016In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 230, p. 128-134Article in journal (Refereed)
    Abstract [en]

    1H NMR pulsed field gradient was used to study self-diffusion of a phosphonium bis(salicylato)borate ionic liquid ([P6,6,6,14][BScB]) in the pores of Vycor porous glass at 296 K. Confinement in pores increases diffusion coefficients of the ions by a factor of 35. However, some [P6,6,6,14][BScB] ions demonstrated apparent diffusion coefficients much lower than their mean values, which may be due to partially restricted diffusion of the ions. We suggest that this fraction corresponds to areas where ions are confined by pore ‘necks’ (micropores) and empty voids. Heating of the ionic liquid / Vycor system at 330 K led to a change in the diffusivity of the ions, because of their redistribution in the pores. The size of the bounded regions is on the order of 1 µm, as estimated from the dependence of the ion diffusivity on the diffusion time.

  • 31.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Azancheev, Nail
    Kazan (Volga Region) Federal University, Kazan.
    Taher, Mamoun
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Rabét, Pauline
    Department of Organic Chemistry, School of Chemistry, Manchester University.
    Glavatskih, Sergei
    System and Component Design, KTH, Royal Institute of Technology , Machine Design, KTH Royal Institute of Technology, SE-10044 Stockholm, Sweden, Department of Physics, Warwick University, Coventry, Department of Mechanical Construction and Production, Ghent University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Self-diffusion and interactions in mixtures of imidazolium bis(mandelato)borate ionic liquids with polyethylene glycol: 1H NMR study2015In: Magnetic Resonance in Chemistry, ISSN 0749-1581, E-ISSN 1097-458X, Vol. 53, no 7, p. 493-497Article in journal (Refereed)
    Abstract [en]

    We used 1H nuclear magnetic resonance pulsed-field gradient to study the self-diffusion of polyethylene glycol (PEG) and ions in a mixture of PEG and imidazolium bis(mandelato)borate ionic liquids (ILs) at IL concentrations from 0 to 10 wt% and temperatures from 295 to 370 K. PEG behaves as a solvent for these ILs, allowing observation of separate lines in 1H NMR spectra assigned to the cation and anion as well as to PEG. The diffusion coefficients of PEG, as well as the imidazolium cation and bis(mandelato)borate (BMB) anion, differ under all experimental conditions tested. This demonstrates that the IL in the mixture is present in at least a partially dissociated state, while the lifetimes of the associated states of the ions and ions with PEG are less than ~30 ms. Generally, increasing the concentration of the IL leads to a decrease in the diffusion coefficients of PEG and both ions. The diffusion coefficient of the anion is less than that of the cation; the molecular mass dependence of diffusion of ions can be described by the Stokes–Einstein model. NMR chemical shift alteration analysis showed that the presence of PEG changes mainly the chemical shifts of protons belonging to imidazole ring of the cation, while chemical shifts of protons of anions and PEG remain unchanged. This demonstrated that the imidazolium cation interacts mainly with PEG, which most probably occurs through the oxygen of PEG and the imidazole ring. The BMB anion does not strongly interact with PEG, but it may be indirectly affected by PEG through interaction with the cation, which directly interacts with PEG

  • 32.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Institute of Physics, Kazan Federal University, Russia.
    Bhattacharyya, Shubhankar
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    CO2 absorption and ion mobility in aqueous choline-based ionic liquids2019In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 276, p. 748-752Article in journal (Refereed)
    Abstract [en]

    CO2 absorption and ion mobility are investigated in a series of 50/50 wt% aqueous solutions of choline-based ionic liquids with different cations and anions: [N1,1,4,2OH][Threo], [N1,1,5,2OH][Threo], [N1,1,6,2OH][Threo], [N1,1,5,2OH][β-ala] and [N1,1,5,2OH][Tau]. The process of CO2 absorption was completed in an hour reaching maximum of absorption capacity 0.07–0.10 wt% to ionic liquid (by 0.4–0.6 molar ratios). A rapid CO2 absorption is observed by the formation of solid product as a result of reaction between CO2 molecule and the ionic liquid. Diffusion coefficients of the cation and anion in the mixture are comparable while the diffusivity of water molecules is found to be quite different from the ions. In the process of CO2 absorption, an increase in the diffusivity of ions is observed due to the precipitation of solid products and depletion of ions contents in the liquid phase of the system. 13C NMR measurements of diffusivity of CO2 enriched with 13C isotope showed that a part of the absorbed CO2 remained in the liquid phase being physically and chemically bound to ions. The ionic liquid is re-cycled by evaporating water and releasing CO2 molecules using vacuum and temperature.

  • 33.
    Filippov, Andrei
    et al.
    Luleå Univ Technol, Chem Interfaces, Luleå, Sweden.;Kazan State Med Univ, Dept Biol & Med Phys, Kazan, Russia..
    Munavirov, Bulat
    KTH, School of Industrial Engineering and Management (ITM), Machine Design (Dept.).
    Glavatskih, Sergei
    KTH, School of Industrial Engineering and Management (ITM), Machine Design (Dept.), Machine Design (Div.). Univ Ghent, Dept Electromech Syst & Met Engn, Ghent, Belgium.;Univ New South Wales, Sch Chem, Sydney, NSW, Australia..
    Shah, Faiz Ullah
    Luleå Univ Technol, Chem Interfaces, Luleå, Sweden..
    Antzutkin, Oleg N.
    Luleå Univ Technol, Chem Interfaces, Luleå, Sweden.;Univ Warwick, Dept Phys, Coventry, W Midlands, England..
    Diffusion of Ions in Phosphonium Orthoborate Ionic Liquids Studied by H-1 and B-11 Pulsed Field Gradient NMR2020In: Frontiers in Chemistry, E-ISSN 2296-2646, Vol. 8, article id 119Article in journal (Refereed)
    Abstract [en]

    Non-halogenated boron-based ionic liquids (ILs) composed of phosphonium cations and chelated orthoborate anions have high hydrolytic stability, low melting point and exceptional properties for various applications. This study is focused on ILs with the same type of cation, trihexyltetradecylphosphonium ([P-6,P-6,P-6,P-14](+)), and two orthoborate anions, such as bis(salicylato)borate ([BScB](-)) and bis(oxalato)borate ([BOB](-)). We compare the results of this study with our previous studies on ILs with bis(mandelato)borate ([BMB](-)) and a variety of different cations (tetraalkylphosphonium, dialkylpyrrolidinium and dialkylimidazolium). The ion dynamics and phase behavior of these ILs is studied using H-1 and B-11 pulsed-field-gradient (PFG) NMR. PFG NMR is demonstrated to be a useful tool to elucidate the dynamics of ions in this class of phosphonium orthoborate ILs. In particular, the applicability of B-11 PFG NMR for studying anions without H-1, such as [BOB](-), and the limitations of this technique to measure self-diffusion of ions in ILs are demonstrated and discussed in detail for the first time.

  • 34.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Munavirov, Bulat
    System and Component Design, KTH Royal Institute of Technology, Stockholm, Sweden.
    Glavatskih, Sergei
    System and Component Design, KTH Royal Institute of Technology, Stockholm, Sweden. Department of Electromechanical, Systems and Metal Engineering, Ghent University, Ghent, Belgium. School of Chemistry, University of New South Wales, Sydney, Australia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg N.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, Coventry, United Kingdom.
    Diffusion of Ions in Phosphonium Orthoborate Ionic Liquids Studied by 1H and 11B Pulsed Field Gradient NMR2020In: Frontiers in Chemistry, E-ISSN 2296-2646, Vol. 8, article id 119Article in journal (Refereed)
    Abstract [en]

    Non-halogenated boron-based ionic liquids (ILs) composed of phosphonium cations and chelated orthoborate anions have high hydrolytic stability, low melting point and exceptional properties for various applications. This study is focused on ILs with the same type of cation, trihexyltetradecylphosphonium ([P6,6,6,14]+), and two orthoborate anions, such as bis(salicylato)borate ([BScB]−) and bis(oxalato)borate ([BOB]−). We compare the results of this study with our previous studies on ILs with bis(mandelato)borate ([BMB]−) and a variety of different cations (tetraalkylphosphonium, dialkylpyrrolidinium and dialkylimidazolium). The ion dynamics and phase behavior of these ILs is studied using 1H and 11B pulsed-field-gradient (PFG) NMR. PFG NMR is demonstrated to be a useful tool to elucidate the dynamics of ions in this class of phosphonium orthoborate ILs. In particular, the applicability of 11B PFG NMR for studying anions without 1H, such as [BOB]−, and the limitations of this technique to measure self-diffusion of ions in ILs are demonstrated and discussed in detail for the first time.

  • 35.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering. Kazan (Volga Region) Federal University, Kremlevskaya Str., 18, Kazan, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Taher, Mamoun
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Glavatskih, Sergei
    System and Component Design, KTH Royal Institute of Technology, SE-10044 Stockholm, Sweden; Department of Mechanical Construction and Production, Ghent University, B-9052 Zwijnaarde, Belgium.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering. Department of Physics, Warwick University, Coventry, UK.
    NMR self-diffusion study of a phosphonium bis(mandelato)borate ionic liquid2013In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 15, no 23, p. 9281-9287Article in journal (Refereed)
    Abstract [en]

    Newly synthesized halogen-free boron based ionic liquids (hf-BILs) composed of chelated orthoborate anionsand phosphonium cations have hydrolytic stability, low melting point and outstanding wear and frictionreducing properties. We report here the peculiarities of self-diffusion in one representative from this class,trihexyltetradecylphosphonium bis(mandelato)borate, [P6,6,6,14][BMB], in the temperature range of itspractical interest, 20–100 1C. NMR techniques demonstrated complicated diffusional behaviour – the ionicliquid can exist in one or two liquid ‘‘phases’’. In the low-temperature range (20–50 1C), two phases coexistwhere the cations, [P6,6,6,14], are contained mainly in the phase with slower diffusion coefficients while theanions, [BMB], are in the phase with faster diffusion coefficients. Cations have lower diffusion coefficientswith a factor of 20 as compared with the anions, an effect which is caused by aggregation of cations intodomains due to so-called ‘‘hydrophobic interaction’’ of their hydrocarbon chains. As the temperature risesabove 60 1C, the two phases merge into one where both ions have equal diffusion coefficients. This iscaused by thermal motion making the cation domains smaller in size and more easily interacting withanions. As a result, anions and cations diffuse in this high-temperature range as a pair.

  • 36.
    Filippov, Andrei
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Kazan Federal University, Kazan, Russian Federation.
    Taher, Mamoun
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Glavatskih, Sergei
    System and Component Design, KTH Royal Institute of Technology, Stockholm, Sweden; Department of Mechanical Construction and Production, Ghent University, B-9000 Ghent, Belgium.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, University of Warwick, Coventry, UK.
    The effect of the cation alkyl chain length on density and diffusion in dialkylpyrrolidinium bis(mandelato)borate ionic liquids2014In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 16, no 48, p. 26798-26805Article in journal (Refereed)
    Abstract [en]

    The physicochemical properties of ionic liquids are strongly affected by the selective combination of the cations and anions comprising the ionic liquid. In particular, the length of the alkyl chains of ions has a clear influence on the ionic liquid's performance. In this paper, we study the self-diffusion of ions in a series of halogen-free boron-based ionic liquids (hf-BILs) containing bis(mandelato)borate anions and dialkylpyrrolidinium cations with long alkyl chains CnH2n+1 with n from 4 to 14 within a temperature range of 293-373 K. It was found that the hf-BILs with n = 4-7 have very similar diffusion coefficients, while hf-BILs with n = 10-14 exhibit two liquid sub-phases in almost the entire temperature range studied (293-353 K). Both liquid sub-phases differ in their diffusion coefficients, while values of the slower diffusion coefficients are close to those of hf-BILs with shorter alkyl chains. To explain the particular dependence of diffusion on the alkyl chain length, we examined the densities of the hf-BILs studied here. It was shown that the dependence of the density on the number of CH2 groups in long alkyl chains of cations can be accurately described using a "mosaic type" model, where regions of long alkyl chains of cations (named 'aliphatic' regions) and the residual chemical moieties in both cations and anions (named 'ionic' regions) give additive contributions. Changes in density due to an increase in temperature and the number of CH2 groups in the long alkyl chains of cations are determined predominantly by changes in the free volume of the 'ionic' regions, while 'aliphatic' regions are already highly compressed by van der Waals forces, which results in only infinitesimal changes in their free volumes with temperature.

  • 37.
    Geng, Shiyu
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Liu, Peng
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Oksman, Kristiina
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Plasticizing and crosslinking effects of borate additives on the structure and properties of poly(vinyl acetate)2017In: RSC Advances, E-ISSN 2046-2069, Vol. 7, no 13, p. 7483-7491Article in journal (Refereed)
    Abstract [en]

    As an environmentally friendly, low-cost and widely used polymer, poly(vinyl acetate) (PVAc) is worth modifying to achieve better properties. Here, we report on the influence of borate additives on the structure and properties of partially hydrolysed PVAc. In addition to the general crosslinking function of borate additives, an extraordinary plasticizing effect was found. By controlling the pH from 4 to 11 during sample preparation, the plasticizing and crosslinking effects can be shifted. In alkaline conditions, the degree of crosslinking in the PVAc/borate sample is increased; however, this increase declines gradually with an increase in the borate additive content, which impacts the morphology of the PVAc latex particles, as well as the mechanical and thermal properties of the PVAc/borate films. In contrast, in acidic conditions, the PVAc/borate films are plasticized by borate additives; thus, their ultimate mechanical strength, elastic moduli and thermal stabilities decrease, while the water diffusivities increase.

  • 38.
    Gnezdilov, Oleg I.
    et al.
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Medical and Biological Physics, Kazan Medical University, 420012, Kazan, Russia.
    Khan, Inayat Ali
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Translational and reorientational dynamics of ionic liquid-based fluorine-free lithium-ion battery electrolytes2022In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 345, article id 117001Article in journal (Refereed)
    Abstract [en]

    The translational as well as reorientational mobilities of fluorine-free electrolytes prepared by mixing lithium furan-2-carboxylate Li(FuA) salt with tetra(n-butyl)phosphonium furan-2-carboxylate (P4444)(FuA) ionic liquid are thoroughly investigated. The diffusivity of ions and T1 relaxation of protons belonging to various chemical groups of (P4444)+ and (FuA) ions and the Li+ ion present in these electrolytes are measured as a function of lithium salt concentration and temperature. The temperature dependence of correlation time for reorientational mobility of various chemical groups of (P4444)+ and (FuA) ions and the Li+ ion are estimated and used in calculations temperature dependence of the corresponding reorientational rates. It is shown that an increase in the concentration of lithium salt leads to a decrease in both the diffusion coefficients and the reorientation rates for all the chemical groups in concerted way. Activation energy of the reorientational rates for different chemical groups of the organic ions and the Li+ are discussed in details.

  • 39.
    Hafeez, Abdul
    et al.
    Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
    Akhter, Zareen
    Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
    Gallagher, John F.
    School of Chemical Sciences, Dublin City University, Glasnevin, Dublin, Ireland.
    Khan, Nawazish Ali
    Materials Science Laboratory, Department of Physics, Quaid-i-Azam University, Islamabad, Pakistan.
    Gul, Asghari
    Department of Chemistry, COMSATS University, Islamabad, Pakistan.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Synthesis, Crystal Structures, and Spectroscopic Characterization of Bis-aldehyde Monomers and Their Electrically Conductive Pristine Polyazomethines2019In: Polymers, E-ISSN 2073-4360, Vol. 11, no 9, article id 1498Article in journal (Refereed)
    Abstract [en]

    Bis-aldehyde monomers 4-(4′-formyl-phenoxy)benzaldehyde (3a), 3-methoxy-4-(4′-formyl-phenoxy)benzaldehyde (3b), and 3-ethoxy-4-(4′-formyl-phenoxy)benzaldehyde (3c) were synthesized by etherification of 4-fluorobenzaldehyde (1) with 4-hydroxybenzaldehyde (2a), 3-methoxy-4-hydroxybenzaldehyde (2b), and 3-ethoxy-4-hydroxybenzaldehyde (2c), respectively. Each monomer was polymerized with p-phenylenediamine and 4,4′-diaminodiphenyl ether to yield six poly(azomethine)s. Single crystal X-ray diffraction structures of 3b and 3c were determined. The structural characterization of the monomers and poly(azomethine)s was performed by FT-IR and NMR spectroscopic techniques and elemental analysis. Physicochemical properties of polymers were investigated by powder X-ray diffraction, thermogravimetric analysis (TGA), viscometry, UV–vis, spectroscopy and photoluminescence. These polymers were subjected to electrical conductivity measurements by the four-probe method, and their conductivities were found to be in the range 4.0 × 10−5 to 6.4 × 10−5 Scm−1, which was significantly higher than the values reported so far.

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  • 40.
    Hjalmarsson, Nicklas
    et al.
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Asencio, Rubén Álvarez
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Sweeney, James
    Centre for Advanced Particle Processing and Transport, University of Newcastle, Callaghan, NSW.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Schaufelberger, Fredrik
    Organic Chemistry, School of Chemical Science and Engineering, KTH – Royal Institute of Technology, Stockholm.
    Ramström, Olof
    Organic Chemistry, School of Chemical Science and Engineering, KTH – Royal Institute of Technology, Stockholm.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Atkin, Rob
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Glavatskih, Sergei
    Department of Physics, Warwick University, Coventry.
    Rutland, Mark W.
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Biodegradable ionic liquids as lubricants2013Conference paper (Refereed)
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  • 41.
    Javed, Muhammad Asadullah
    et al.
    NMR Research Unit, University of Oulu.
    Ahola, Susanna
    NMR Research Unit, University of Oulu.
    Håkansson, Pär
    NMR Research Unit, University of Oulu.
    Mankinen, Otto
    NMR Research Unit, University of Oulu.
    Aslam, Muhammad Kamran
    NMR Research Unit, University of Oulu.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Glavatskih, Sergei
    System and Component Design, Department of Machine Design, KTH Royal Institute of Technology.
    Antzutkin, Oleg N.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Telkki, Ville-Veikko
    NMR Research Unit, University of Oulu.
    Y Structure and dynamics elucidation of ionic liquids using multidimensional Laplace NMR2017In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 53, no 80, p. 11056-11059Article in journal (Refereed)
    Abstract [en]

    We demonstrate the ability of multidimensional Laplace NMR (LNMR), comprising relaxation and diffusion experiments, to reveal essential information about microscopic phase structures and dynamics of ionic liquids that is not observable using conventional NMR spectroscopy or other techniques.

  • 42.
    Kanwal, Sehrish
    et al.
    Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
    Ali, Naveed Zafar
    Federal Institute for Materials Research and Testing (BAM), Richard-Willstaetter-Strasse 11, Berlin 12489, Germany. Laboratory for Advanced Materials & Processing (LAMP) National Centre for Physics, Quaid-i-Azam University Campus, Islamabad, Pakistan.
    Hussain, Rizwan
    Laboratory for Advanced Materials & Processing (LAMP) National Centre for Physics, Quaid-i-Azam University Campus, Islamabad, Pakistan.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Akhter, Zareen
    Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
    Poly-thiourea formaldehyde based anticorrosion marine coatings on type 304 stainless steel2020In: Journal of Materials Research and Technology, ISSN 2238-7854, Vol. 9, no 2, p. 2146-2153Article in journal (Refereed)
    Abstract [en]

    In the present study, hexamethylene diisocyanate (HMDI) encapsulated poly-thiourea formaldehyde (PTF) (10 wt%) coating was developed in an epoxy-polyamine matrix and their anticorrosion studies on Type SS304 stainless steel substrate have been conducted using electrochemistry techniques. The compact and hydrophobic shell wall of PTF proved to be a potent shell wall material for HMDI encapsulation. The effect of temperature and pH values was found to be decisive factor in the synthesis of microcapsules. The PTF microcapsules were synthesized in acidic condition with a pH value of 3. Over 90% of the core fraction is retained in water after 21 days immersion. However, core content decreased with increasing temperature. The capsules were characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy(SEM), thermogravimetric analysis (TGA) and Electrochemical Impedance spectroscopy (EIS). Scanning electron microscopic analysis depicts the uniform morphology of coating with a particle size in the range of 1.08 μm–22.06 μm. The vibrational band at 2271 cm−1 attributed to NCO signal further endorses the successful encapsulation of HMDI into the PTF capsules. Electrochemical testing on steel specifies the appreciable anticorrosion performance of the synthesized poly thiourea formaldehyde (PTF) coating against artificial sea water.

  • 43.
    Karimi, Somayeh
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Korelskiy, Danil
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Mortazavi, Yadollah
    Catalysis and Nanostructured Materials Research Laboratory, College of Engineering, School of Chemical Engineering, University of Tehran.
    Khodadadi, Abbas Ali
    Catalysis and Nanostructured Materials Research Laboratory, College of Engineering, School of Chemical Engineering, University of Tehran.
    Sardari, Kaymar
    Catalysis and Nanostructured Materials Research Laboratory, College of Engineering, School of Chemical Engineering, University of Tehran.
    Esmaeili, Mohammad
    Catalysis and Nanostructured Materials Research Laboratory, College of Engineering, School of Chemical Engineering, University of Tehran.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    High flux acetate functionalized silica membranes based on in-situ co-condensation for CO2/N2 separation2016In: Journal of Membrane Science, ISSN 0376-7388, E-ISSN 1873-3123, Vol. 520, p. 574-582Article in journal (Refereed)
    Abstract [en]

    Acetate-functionalized silica membranes were prepared via co-condensation. The molar ratio of functional groups in the silica matrix was varied in the range of 0–0.6, denoted by x. The presence of functional groups bonded to the silica network was revealed by FTIR and 29Si and 13C solid-state NMR analysis. The stability of the groups was studied by TG analysis. The membranes were evaluated for CO2/N2 mixture separation in a temperature range of 253–373 K using a feed pressure of 9 bar and a sweep gas kept at atmospheric pressure on the permeate side. The membranes were found to be CO2-selective at all the conditions studied. The highest observed selectivity was 16 for x=0.4, with a CO2 permeance of 5.12×10−7 mol s−1 m−2 Pa−1. For x=0.2, a permeance of as high as 20.74×10−7 mol s−1 m−2 Pa−1 with a CO2/N2 selectivity of 7.5 was obtained. This permeance is the highest reported for CO2/N2 separation using functionalized silica membranes. It is proposed that the separation mechanism between CO2 and N2 was the preferential adsorption of CO2, which inhibited adsorption and permeation of N2 through the silica pore network. Permporometry results revealed that as the loading of functional groups increased, the He permeance decreased. It was also indicated that the quantity of micropores in the functionalized membrane was higher than that in the parent silica membrane.

  • 44.
    Khan, Amir Sada
    et al.
    Center of Research in Ionic Liquids, Department of Chemical Engineering, Universiti Teknologi PETRONAS .
    Man, Zakaria
    Center of Research in Ionic Liquids, Department of Chemical Engineering, Universiti Teknologi PETRONAS .
    Bustam, Mohamad Azmi
    Center of Research in Ionic Liquids, Department of Chemical Engineering, Universiti Teknologi PETRONAS .
    Nasrullah, Asma
    Fundamental and Applied Science Department, Universiti Teknologi PETRONAS .
    Ullah, Zahoor
    Department of Chemistry, Balochistan University of IT, Engineering and Management Sciences (BUITEMS).
    Sarwono, Ariyanti
    Center of Research in Ionic Liquids, Department of Chemical Engineering, Universiti Teknologi PETRONAS .
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Muhammad, Nawshad
    Interdisciplinary Research Center in Biomedical Materials, COMSATS Institute of Information Technology, Lahore, Pakistan.
    Efficient Conversion of Lignocellulosic Biomass to Levulinic Acid Using Acidic Ionic Liquids2018In: Carbohydrate Polymers, ISSN 0144-8617, E-ISSN 1879-1344, Vol. 181, p. 208-214Article in journal (Refereed)
    Abstract [en]

    In the present research work, dicationic ionic liquids, containing 1,1-Bis(3-methylimidazolium-1-yl) butylene ([C4(Mim)2]) cation with counter anions [(2HSO4)(H2SO4)0], [(2HSO4)(H2SO4)2] and [(2HSO4)(H2SO4)4] were synthesised. ILs structures were confirmed using 1H NMR spectroscopy. Thermal stability, Hammett acidity, density and viscosity of ILs were determined. Various types of lignocellulosic biomass such as rubber wood, palm oil frond, bamboo and rice husk were converted into LA. Among the synthesized ionic liquids, [C4(Mim)2][(2HSO4)(H2SO4)4] showed higher % yield of LA up to 47.52 from bamboo biomass at 100 °C for 60 min, which is the better yield at low temperature and short time compared to previous reports. Surface morphology, surface functional groups and thermal stability of bamboo before and after conversion into LA were studied using SEM, FTIR and TGA analysis, respectively. This one-pot production of levulinic acid from agro-waste will open new opportunity for the conversion of sustainable biomass resources into valuable chemicals.

  • 45.
    Khan, Inayat Ali
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Gnezdilov, Oleg I.
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
    Wang, Yong-Lei
    Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Medical and Biological Physics, Kazan Medical University, 420012, Kazan, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Effect of Aromaticity in Anion on the Cation–Anion Interactions and Ionic Mobility in Fluorine-Free Ionic Liquids2020In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 124, no 52, p. 11962-11973Article in journal (Refereed)
    Abstract [en]

    Ionic liquids (ILs) composed of tetra(n-butyl)phosphonium [P4444]+ and tetra(n-butyl)ammonium [N4444]+ cations paired with 2-furoate [FuA], tetrahydo-2-furoate [HFuA], and thiophene-2-carboxylate [TpA] anions are prepared to investigate the effects of electron delocalization in anion and the mutual interactions between cations and anions on their physical and electrochemical properties. The [P4444]+ cations-based ILs are found to be liquids, while the [N4444]+ cations-based ILs are semi-solids at room temperature. Thermogravimetric analysis revealed higher decomposition temperatures and differential scanning calorimetry analysis showed lower glass transition temperatures for phosphonium-based ILs than the ammonium-based counterparts. The ILs are arranged in the decreasing order of their ionic conductivities as [P4444][HFuA] (0.069 mS cm–1) > [P4444][FuA] (0.032 mS cm–1) > [P4444][TpA] (0.028 mS cm–1) at 20 °C. The oxidative limit of the ILs followed the sequence of [FuA]> [TpA]> [HFuA], as measured by linear sweep voltammetry. This order can be attributed to the electrons’ delocalization in [FuA] and in [TpA] aromatic anions, which has enhanced the oxidative limit potentials and the overall electrochemical stabilities.

  • 46. Khan, Inayat Ali
    et al.
    Gnezdilov, Oleg
    Wang, Yong-Lei
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Filippov, Andrei
    Shah, Faiz Ullah
    Effect of Aromaticity in Anion on the Cation-Anion Interactions and Ionic Mobility in Fluorine-Free Ionic Liquids2020In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 124, no 52, p. 11962-11973Article in journal (Refereed)
    Abstract [en]

    Ionic liquids (ILs) composed of tetra(n-butyl)phosphonium [P-4444](+) and tetra(n-butyl)ammonium [N-4444](+) cations paired with 2-furoate [FuA]-, tetrahydo-2-furoate [HFuA](-), and thiophene-2-carboxylate [TpA]- anions are prepared to investigate the effects of electron delocalization in anion and the mutual interactions between cations and anions on their physical and electrochemical properties. The [P-4444](+) cations-based ILs are found to be liquids, while the [N-4444](+) cations-based ILs are semi-solids at room temperature. Thermogravimetric analysis revealed higher decomposition temperatures and differential scanning calorimetry analysis showed lower glass transition temperatures for phosphonium-based ILs than the ammonium-based counterparts. The ILs are arranged in the decreasing order of their ionic conductivities as [P-4444][HFuA] (0.069 mS cm(-1)) > [P-4444][FuA] (0.032 mS cm(-1)) > [P-4444][TpA] (0.028 mS cm(-1)) at 20 degrees C. The oxidative limit of the ILs followed the sequence of [FuA](-)> [TpA](-)> [HFuA](-), as measured by linear sweep voltammetry. This order can be attributed to the electrons' delocalization in [FuA](-) and in [TpA](-) aromatic anions, which has enhanced the oxidative limit potentials and the overall electrochemical stabilities.

  • 47.
    Khan, Inayat Ali
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ivanovich Gnezdilov, Oleg
    Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
    Filippov, Andrei
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Medical and Biological Physics, Kazan State Medical University, 420012 Kazan, Russia.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ion Transport and Electrochemical Properties of Fluorine-Free Lithium-Ion Battery Electrolytes Derived from Biomass2021In: ACS Sustainable Chemistry and Engineering, E-ISSN 2168-0485, Vol. 9, no 23, p. 7769-7780Article in journal (Refereed)
    Abstract [en]

    Unlike conventional electrolytes, ionic liquid (IL)-based electrolytes offer higher thermal stability, acceptable ionic conductivity, and a higher electrochemical stability window (ESW), which are indispensable for the proper functioning of Li-ion batteries. In this study, fluorine-free electrolytes are prepared by mixing the lithium furan-2-carboxylate [Li(FuA)] salt with the tetra(n-butyl)phosphonium furan-2-carboxylate [(P4444)(FuA)] IL in different molar ratios. The anion of these electrolytes is produced from biomass and agricultural waste on a large scale and, therefore, this study is a step ahead toward the development of renewable electrolytes for batteries. The electrolytes are found to have Tonset higher than 568 K and acceptable ionic conductivities in a wide temperature range. The pulsed field gradient nuclear magnetic resonance (PFG-NMR) analysis has confirmed that the (FuA) anion diffuses faster than the (P4444)+ cation in the neat (P4444)(FuA) IL; however, the anion diffusion becomes slower than cation diffusion by doping Li salt. The Li+ ion interacts strongly with the carboxylate functionality in the (FuA) anion and diffuses slower than other ions over the whole studied temperature range. The interaction of the Li+ ion with the carboxylate group is also confirmed by 7Li NMR and Fourier transform infrared (FTIR) spectroscopy. The transference number of the Li+ ion is increased with increasing Li salt concentration. Linear sweep voltammetry (LSV) suggests lithium underpotential deposition and bulk reduction at temperatures above 313 K.

  • 48.
    Khan, Inayat Ali
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Fluorine-Free Ionic Liquid-Based Electrolyte for Supercapacitors Operating at Elevated Temperatures2020In: ACS Sustainable Chemistry and Engineering, E-ISSN 2168-0485, Vol. 8, no 27, p. 10212-10221Article in journal (Refereed)
    Abstract [en]

    We synthesized tetra(n-butyl)phosphonium furoate [P4444][FuA] ionic liquid (IL) by the reaction of tetra(n-butyl)phosphonium hydroxide and 2-furoic acid using water as a solvent at room temperature. The thermal stability and phase behavior of the IL are investigated through thermogravimetry (TGA) and differential scanning calorimetry (DSC), while the ionic conductivity measurement is carried out using impedance spectroscopy. Hybrid carbon-based material composed of multi walled carbon nanotubes (MWCNTs) and activated charcoal is fabricated and used as electrodes. The effect of potential scan rate, temperature and voltage on the electrochemical performance of the capacitor is thoroughly investigated through cyclic voltammetry (CV), galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS). The results showed that the internal resistance and specific capacitance are highly dependent on the temperature and voltage, and a high specific capacitance of 141.4 F g−1 (5 mV s−1) from CV and 182 F g−1 (1 A g−1) from GCD at 100 °C is achieved, indicating an excellent electrochemical performance. The capacitor demonstrated 29.0 Wh kg−1 energy density and 13.3 kW kg−1 power density at 20 °C and 3 V potential, while 177 Wh kg−1 energy density and 82 kW kg−1 power density are achieved at higher temperature (100 °C). The FTIR analysis of the capacitor after electrochemical studies confirmed that no changes have occurred in the structure of the IL, indicating high electrochemical stability of the IL for supercapacitor applications in an extended temperature (−20 to 100 °C) and a wide potential range (3 V to 4.6 V).

  • 49.
    Khan, Inayat Ali
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Wang, Yong-Lei
    Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Effect of structural variation in biomass-derived nonfluorinated ionic liquids electrolytes on the performance of supercapacitors2022In: Journal of Energy Chemistry, ISSN 2095-4956, E-ISSN 2096-885X, Vol. 69, p. 174-184Article in journal (Refereed)
    Abstract [en]

    There is a growing interest in sustainable and high performance supercapacitors (SCs) operating at elevated temperatures as they are highly demanded in heat-durable electronics. Here, we present a biomass-derived nonfluorinated ionic liquid (IL) [P4444][HFuA] and its structural analogue [P4444][TpA] as electrolytes for supercapacitors comprising multiwall carbon nanotubes and activated charcoal (MWCNTs/AC) mixed carbon composite electrodes. A detailed investigation of the effect of scan rate, temperature, potential window and orientation of ions on the electrodes surfaces is performed. The supercapacitors exhibited relatively lower specific capacitance for both [P4444][HFuA] and [P4444][TpA] ILs at room temperature. However, the specific capacitance has significantly increased with an increase in temperature and potential window. The equivalent serie resistances of the SCs is deceased with increasing temperatures, which is a result of improved ionic conductivities of the IL electrolytes. In CV cycling at 60 °C, the capacitor with [P4444][HFuA] IL-based electrolyte retained about 90% of its initial capacitance, while the capacitor with [P4444][TpA] IL-based electrolyte retained about 83% of its initial capacitance. Atomistic computations revealed that the aromatic [FuA]− and [TpA]− anions displayed perpendicular distribution that can effectively neutralize charges on the carbon surfaces. However, the [HFuA]− anion exhibited somewhat tilted configurations on the carbon electrode surfaces, contributing to their outstanding capacitive performance in electrochemical devices.

  • 50.
    Khan, Inayat
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Catalysis and Nanomaterials Lab 27, Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan.
    Badshah, Amin
    Catalysis and Nanomaterials Lab 27, Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Assiri, Mohammed A.
    Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia.
    Nadeem, Muhammad Arif
    Catalysis and Nanomaterials Lab 27, Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan.
    Zinc-Coordination Polymer-Derived Porous Carbon-Supported Stable PtM Electrocatalysts for Methanol Oxidation Reaction2021In: ACS Omega, E-ISSN 2470-1343, Vol. 6, no 10, p. 6780-6790Article in journal (Refereed)
    Abstract [en]

    Porous carbon (PC) is obtained by carbonizing a zinc-coordination polymer (MOF-5) at 950 °C and PtM (M = Fe, Co, Ni, Cu, Zn) nanoparticles (NPs), which are deposited on PC using the polyol method. Structural and morphological characterizations of the synthesized materials are carried out by powder X-ray diffraction (PXRD), X-ray photoelectron spectroscopy (XPS), and high-resolution transmission electron microscopy (HRTEM), and the porosity was determined using a N2 adsorption/desorption technique. The results revealed that PtM NPs are alloyed in the fcc phase and are well dispersed on the surface of PC. The electrochemical results show that PtM/PC 950 catalysts have higher methanol oxidation reaction (MOR) performances than commercial Pt/C (20%) catalysts. After 3000 s of chronoamperometry (CA) test, the MOR performances decreased in the order of Pt1Cu1/PC 950 > Pt1Ni1/PC 950 > Pt1Fe1/PC 950 > Pt1Zn1/PC 950 > Pt1Co1/PC 950. The high MOR activities of the synthesized catalysts are attributed to the effect of M on methanol dissociative chemisorption and improved tolerance of Pt against CO poisoning. The high specific surface area and porosity of the carbon support have an additional effect in boosting the MOR activities. Screening of the first row transition metals (d5+n, n = 1, 2, 3, 4, 5) alloyed with Pt binary catalysts for MOR shows that Pt with d8 (Ni) and d9 (Cu) transition metals, in equivalent atomic ratios, are good anode catalysts for alcohol fuel cells.

     

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