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  • 1.
    Adolfsson, Erik
    RISE - Research Institutes of Sweden, Swerea, Swerea IVF AB, Keramer.
    Zirconia in applications with bone contact2016Konferansepaper (Annet vitenskapelig)
  • 2.
    Afzal, Muhammad
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Kraft- och värmeteknologi.
    Saleemi, Mohsin
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Material- och nanofysik.
    Wang, Baoyuan
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Kraft- och värmeteknologi.
    Xia, Chen
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Kraft- och värmeteknologi.
    Zhang, Wei
    He, Yunjuan
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Kraft- och värmeteknologi.
    Jayasuriya, Jeevan
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Kraft- och värmeteknologi.
    Zhu, Binzhu
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Kraft- och värmeteknologi.
    Fabrication of novel electrolyte-layer free fuel cell with semi-ionic conductor (Ba0.5Sr0.5Co0.8Fe0.2O3-delta- Sm0.2Ce0.8O1.9) and Schottky barrier2016Inngår i: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 328, s. 136-142Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Perovskite Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) is synthesized via a chemical co-precipitation technique for a low temperature solid oxide fuel cell (LTSOFC) (300-600 degrees C) and electrolyte-layer free fuel cell (EFFC) in a comprehensive study. The EFFC with a homogeneous mixture of samarium doped ceria (SDC): BSCF (60%:40% by weight) which is rather similar to the cathode (SDC: BSCF in 50%:50% by weight) used for a three layer SOFC demonstrates peak power densities up to 655 mW/cm(2), while a three layer (anode/ electrolyte/cathode) SOFC has reached only 425 mW/cm(2) at 550 degrees C. Chemical phase, crystal structure and morphology of the as-prepared sample are characterized by X-ray diffraction and field emission scanning electron microscopy coupled with energy dispersive spectroscopy. The electrochemical performances of 3-layer SOFC and EFFC are studied by electrochemical impedance spectroscopy (EIS). As-prepared BSCF has exhibited a maximum conductivity above 300 S/cm at 550 degrees C. High performance of the EFFC device corresponds to a balanced combination between ionic and electronic (holes) conduction characteristic. The Schottky barrier prevents the EFFC from the electronic short circuiting problem which also enhances power output. The results provide a new way to produce highly effective cathode materials for LTSOFC and semiconductor designs for EFFC functions using a semiconducting-ionic material.

  • 3.
    Ajaxon, Ingrid
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Can Bone Void Fillers Carry Load?: Behaviour of Calcium Phosphate Cements Under Different Loading Scenarios2017Doktoravhandling, med artikler (Annet vitenskapelig)
    Abstract [en]

    Calcium phosphate cements (CPCs) are used as bone void fillers and as complements to hardware in fracture fixation. The aim of this thesis was to investigate the possibilities and limitations of the CPCs’ mechanical properties, and find out if these ceramic bone cements can carry application-specific loads, alone or as part of a construct. Recently developed experimental brushite and apatite cements were found to have a significantly higher strength in compression, tension and flexion compared to the commercially available CPCs chronOS™ Inject and Norian® SRS®. By using a high-resolution measurement technique the elastic moduli of the CPCs were determined and found to be at least twice as high compared to earlier measurements, and closer to cortical bone than trabecular bone. Using the same method, Poisson's ratio for pure CPCs was determined for the first time. A non-destructive porosity measurement method for wet brushite cements was developed, and subsequently used to study the porosity increase during in vitro degradation. The compressive strength of the experimental brushite cement was still higher than that of trabecular bone after 25 weeks of degradation, showing that the cement can carry high loads over a time span sufficiently long for a fracture to heal. This thesis also presents the first ever fatigue results for acidic CPCs, and confirms the importance of testing the materials under cyclic loading as the cements may fail at stress levels much lower than the material’s quasi-static compressive strength. A decrease in fatigue life was found for brushite cements containing higher amounts of monetite. Increasing porosity and testing in a physiological buffer solution (PBS), rather than air, also decreased the fatigue life. However, the experimental brushite cement had a high probability of surviving loads found in the spine when tested in PBS, which has previously never been accomplished for acidic CPCs. In conclusion, available brushite cements may be able to carry the load alone in scenarios where the cortical shell is intact, the loading is mainly compressive, and the expected maximum stress is below 10 MPa. Under such circumstances this CPC may be the preferred choice over less biocompatible and non-degradable materials.

  • 4.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Acciaioli, Alice
    Istituto Ortopedico Rizzoli, Laboratorio di Tecnologia Medica.
    Lionello, Giacomo
    Istituto Ortopedico Rizzoli, Laboratorio di Tecnologia Medica.
    Ginebra, Maria-Pau
    Biomaterials, Biomechanics and Tissue Engineering Group, Dept. of Materials Science and Metallurgy, Technical University of Catalonia (UPC).
    Öhman, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Baleani, Massimilliano
    Istituto Ortopedico Rizzoli, Laboratorio di Tecnologia Medica.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Elastic properties and strain-to-crack-initation of calcium phosphate bone cements: Revelations of a high-resolution measurement technique2017Inngår i: Journal of The Mechanical Behavior of Biomedical Materials, ISSN 1751-6161, E-ISSN 1878-0180, Vol. 74, s. 428-437Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Calcium phosphate cements (CPCs) should ideally have mechanical properties similar to those of the bone tissue the material is used to replace or repair. Usually, the compressive strength of the CPCs is reported and, more rarely, the elastic modulus. Conversely, scarce or no data are available on Poisson's ratio and strain-to-crack-initiation. This is unfortunate, as data on the elastic response is key to, e.g., numerical model accuracy. In this study, the compressive behaviour of brushite, monetite and apatite cements was fully characterised. Measurement of the surface strains was done using a digital image correlation (DIC) technique, and compared to results obtained with the commonly used built-in displacement measurement of the materials testers. The collected data showed that the use of fixed compression platens, as opposed to spherically seated ones, may in some cases underestimate the compressive strength by up to 40%. Also, the built-in measurements may underestimate the elastic modulus by up to 62% as compared to DIC measurements. Using DIC, the brushite cement was found to be much stiffer (24.3 ± 2.3 GPa) than the apatite (13.5 ± 1.6 GPa) and monetite (7.1 ± 1.0 GPa) cements, and elastic moduli were inversely related to the porosity of the materials. Poisson's ratio was determined to be 0.26 ± 0.02 for brushite, 0.21 ± 0.02 for apatite and 0.20 ± 0.03 for monetite. All investigated CPCs showed low strain-to-crack-initiation (0.17–0.19%). In summary, the elastic modulus of CPCs is substantially higher than previously reported and it is concluded that an accurate procedure is a prerequisite in order to properly compare the mechanical properties of different CPC formulations. It is recommended to use spherically seated platens and measuring the strain at a relevant resolution and on the specimen surface.

  • 5.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Acciaioli, Alice
    Lionello, Giacomo
    Ginebra, Maria-Pau
    Öhman, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Baleani, Massimiliano
    Compressive strength increase of calcium phosphate bone cements is accompanied by a stiffness increase2016Konferansepaper (Annet vitenskapelig)
  • 6.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Holmberg, Anders
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Öhman Mägi, Caroline
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Fatigue life of a brushite cement under cyclic compressive loading2017Konferansepaper (Fagfellevurdert)
  • 7.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Holmberg, Anders
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Öhman Mägi, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Long-term degradation of brushite cements in three different liquids2016Konferansepaper (Annet vitenskapelig)
  • 8.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Holmberg, Anders
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Öhman Mägi, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    The influence of porosity on the fatigue properties of brushite cement2016Inngår i: Biomaterials for tissue engineering models, 2016Konferansepaper (Annet vitenskapelig)
  • 9.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Holmberg, Anders
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Öhman-Mägi, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Compressive fatigue properties of a high-strength, degradable calcium phosphate bone cement – influence of porosity and environmentManuskript (preprint) (Annet vitenskapelig)
  • 10.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Lionello, Giacomo
    bLaboratorio di Tecnologia Medica, Istituto Ortopedico Rizzoli, Italy.
    Ginebra, Maria-Pau
    cBiomaterials, Biomechanics and Tissue Engineering Group, Department of Materials Science and Metallurgy, Technical University of Catalonia .
    Öhman, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Baleani, Massimiliano
    bLaboratorio di Tecnologia Medica, Istituto Ortopedico Rizzoli, Italy.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Local stiffness measurements in apatite and brushite cements2015Konferansepaper (Annet vitenskapelig)
  • 11.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Maazouz, Yassine
    Biomaterials, Biomechanics and Tissue Engineering Group, Dept. of Materials Science and Metallurgy, Technical University of Catalonia .
    Ginebra, Maria-Pau
    Biomaterials, Biomechanics and Tissue Engineering Group, Dept. of Materials Science and Metallurgy, Technical University of Catalonia .
    Öhman, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    A non-drying porosity evaluation method for calcium phosphate cements2014Inngår i: 26th Symposium and Annual Meeting of the International Society for Ceramics in Medicine, 2014, s. 68-68Konferansepaper (Fagfellevurdert)
  • 12.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Maazouz, Yassine
    Ginebra, Maria-Pau
    Öhman, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Evaluation of a porosity measurement method for wet calcium phosphate cements2015Inngår i: Journal of biomaterials applications, ISSN 0885-3282, E-ISSN 1530-8022, Vol. 30, nr 5, s. 526-536Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The porosity of a calcium phosphate cement is a key parameter as it affects several important properties of the cement. However, a successful, non-destructive porosity measurement method that does not include drying has not yet been reported for calcium phosphate cements. The aim of this study was to evaluate isopropanol solvent exchange as such a method. Two different types of calcium phosphate cements were used, one basic (hydroxyapatite) and one acidic (brushite). The cements were allowed to set in an aqueous environment and then immersed in isopropanol and stored under three different conditions: at room temperature, at room temperature under vacuum (300 mbar) or at 37􏰀C. The specimen mass was monitored regularly. Solvent exchange took much longer time to reach steady state in hydroxyapatite cements compared to brushite cements, 350 and 18 h, respectively. Furthermore, the immersion affected the quasi-static compressive strength of the hydroxyapatite cements. However, the strength and phase composition of the brushite cements were not affected by isopropanol immersion, suggesting that isopropanol solvent exchange can be used for brushite calcium phosphate cements. The main advantages with this method are that it is non-destructive, fast, easy and the porosity can be evaluated while the cements remain wet, allowing for further analysis on the same specimen. 

  • 13.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Mechanical Properties of Brushite Calcium Phosphate Cements2017Inngår i: The World Scientific Encyclopedia of Nanomedicine and Bioengineering II: Bioimplants, Regenerative Medicine, and Nano-Cancer Diagnosis and Phototherapy: Volume 3: Design of Bioactive Materials for Bone Repair and Regeneration / [ed] Shi, D., Singapore: World Scientific Pte Ltd. , 2017Kapittel i bok, del av antologi (Fagfellevurdert)
  • 14.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Öhman, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Compressive Fatigue Properties of Acidic Calcium Phosphate Cement2014Inngår i: Proceedings of 7th World Congress of Biomechanics, 2014Konferansepaper (Fagfellevurdert)
  • 15.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Öhman, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Long-term in vitro degradation of a high-strength brushite cement in water, PBS, and serum solution2015Inngår i: BioMed Research International, ISSN 2314-6133, E-ISSN 2314-6141, artikkel-id 575079Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Bone loss and fractures may call for the use of bone substituting materials, such as calcium phosphate cements (CPCs). CPCs can be degradable, and, to determine their limitations in terms of applications, their mechanical as well as chemical properties need to be evaluated over longer periods of time, under physiological conditions. However, there is lack of data on how the in vitro degradation affects high-strength brushite CPCs over longer periods of time, that is, longer than it takes for a bone fracture to heal. This study aimed at evaluating the long-term in vitro degradation properties of a high-strength brushite CPC in three different solutions: water, phosphate buffered saline, and a serum solution. Microcomputed tomography was used to evaluate the degradation nondestructively, complemented with gravimetric analysis. The compressive strength, chemical composition, and microstructure were also evaluated. Major changes from 10 weeks onwards were seen, in terms of formation of a porous outer layer of octacalcium phosphate on the specimens with a concomitant change in phase composition, increased porosity, decrease in object volume, and mechanical properties. This study illustrates the importance of long-term evaluation of similar cement compositions to be able to predict the material’s physical changes over a relevant time frame. 

  • 16.
    Ajaxon, Ingrid
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Öhman Mägi, Caroline
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Persson, Cecilia
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Compressive fatigue properties of an acidic calcium phosphate cement—effect of phase composition2017Inngår i: Journal of materials science. Materials in medicine, ISSN 0957-4530, E-ISSN 1573-4838, Vol. 28, nr 3, artikkel-id 41Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Calcium phosphate cements (CPCs) are synthetic bone grafting materials that can be used in fracture stabilization and to fill bone voids after, e.g., bone tumour excision. Currently there are several calcium phosphate-based formulations available, but their use is partly limited by a lack of knowledge of their mechanical properties, in particular their resistance to mechanical loading over longer periods of time. Furthermore, depending on, e.g., setting conditions, the end product of acidic CPCs may be mainly brushite or monetite, which have been found to behave differently under quasi-static loading. The objectives of this study were to evaluate the compressive fatigue properties of acidic CPCs, as well as the effect of phase composition on these properties. Hence, brushite cements stored for different lengths of time and with different amounts of monetite were investigated under quasi-static and dynamic compression. Both storage and brushite-to-monetite phase transformation was found to have a pronounced effect both on quasi-static compressive strength and fatigue performance of the cements, whereby a substantial phase transformation gave rise to a lower mechanical resistance. The brushite cements investigated in this study had the potential to survive 5 million cycles at a maximum compressive stress of 13 MPa. Given the limited amount of published data on fatigue properties of CPCs, this study provides an important insight into the compressive fatigue behaviour of such materials. 

  • 17.
    Ali, Amjad
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap. COMSATS Inst Informat Technol, Dept Phys, Lahore 54000, Pakistan.;Univ Okara, Dept Phys, Okara 56300, Pakistan.
    Raza, Rizwan
    COMSATS Inst Informat Technol, Dept Phys, Lahore 54000, Pakistan.;Royal Inst Technol KTH, Dept Energy Technol, S-10044 Stockholm, Sweden..
    Khalil, R. M. Arif
    Bahauddin Zakariya Univ, Dept Phys, Multan 60800, Pakistan..
    Ahmad, M. Ashfaq
    COMSATS Inst Informat Technol, Dept Phys, Lahore 54000, Pakistan..
    Rafique, Asia
    COMSATS Inst Informat Technol, Dept Phys, Lahore 54000, Pakistan..
    Ullah, M. Kaleem
    COMSATS Inst Informat Technol, Dept Phys, Lahore 54000, Pakistan..
    Rehman, Amin Ur
    Lahore Univ, Dept Phys, Lahore 54000, Pakistan..
    Mushtaq, M. Naveed
    COMSATS Inst Informat Technol, Dept Phys, Lahore 54000, Pakistan..
    Belova, Lyubov
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    A potential electrolyte (Ce1-x CaxO2-delta) for fuel cells:Theoretical andexperimental study2018Inngår i: Ceramics International, ISSN 0272-8842, E-ISSN 1873-3956, Vol. 44, nr 11, s. 12676-12683Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    First-principles calculations are performed using density function theory to explore the effects of dopant Ca in ceria (Ce1-x CaxO2-delta). The impact of oxygen vacancy on band gap and density of states is examined in doped ceria using generalized gradient approximations. Vacancy association and vacancy formation energies of the doped ceria are calculated to reveal the effect of dopant on ion conduction. The experimental study of the sample Ce0.875Ca0.125O2-delta) was performed to compare with the theoretical results. The obtained results from theoretical calculation and experimental techniques show that oxygen vacancy increases the volume, lattice constant (5.47315 angstrom) but decrease the band gap (1.72 eV) and bulk modulus. The dopant radius (1.173 angstrom) and lattice constant (5.4718 angstrom) are also calculated by equations which is close to the DFT lattice parameter. The result shows that oxygen vacancy shifts the density of states to lower energy region. Band gap is decreased due to shifting of valence states to conduction band. Vacancy formation shows a significance increase in density of states near the Fermi level. Density of states at Fermi level is proportional to the conductivity, so an increase in density of states near the Fermi level increases the conductivity. The experimental measured ionic conductivity is found to 0.095 S cm(-1) at 600 degrees C. The microstructural studies is also reported in this work.

  • 18.
    Ali, Sharafat
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    Ali, Sharafat
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