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Porous Electrode Model with Particle Stress Effects for Li(Ni1/3Co1/3Mn1/3)O2 Electrode
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.ORCID iD: 0000-0001-5768-7630
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering.ORCID iD: 0000-0002-8532-122X
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry. COMSOL AB, Sweden.ORCID iD: 0000-0001-9627-1902
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering.ORCID iD: 0000-0003-4901-5820
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2019 (English)In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111Article in journal (Refereed) Published
Abstract [en]

A porous electrode model, incorporating particle stress effects, is developed for the electrode kinetic processes in the positive Li(Ni1/3Mn1/3Co1/3)O2 or NMC111 electrode. The model is used to analyze experimental data from galvanostatic intermittent titration technique (GITT) during charging at the beginning of life. The equilibrium potential accounts for the influence of mechanical stress in the electrode particles. While the standard Newman-based model proves unable to capture the dynamic performance of NMC111, the extended model with stress allows good fits of the GITT responses for NMC half cells for a voltage range from 3.7–4.1 V vs Li/Li+ at 10°C, 25°C and 40°C. Four physical parameters are extracted to analyze the underlying diffusive, kinetic, thermodynamic and stress phenomena from polarization to relaxation during a GITT transient. Strong dependencies of the kinetic rate constant k, slope of the open-circuit potential curve dEconc/dxpos and stress proportionality factor ϒstress with lithium concentration are found. The effective diffusion coefficients Ds,eff are ∼10−14 – 10−13 cm2/s across voltages and temperatures. Diffusion limitation and particle surface stress are more profound at higher voltages and at higher temperatures. This leads to large lithium concentration gradient near particle surface, requiring longer relaxation time during GITT.

Place, publisher, year, edition, pages
2019.
Keywords [en]
Batteries - Lithium, Electrode Kinetics
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:kth:diva-256548DOI: 10.1149/2.0661913jesISI: 000483501000003Scopus ID: 2-s2.0-85073684103OAI: oai:DiVA.org:kth-256548DiVA, id: diva2:1346479
Note

QC 20190903

Available from: 2019-08-28 Created: 2019-08-28 Last updated: 2020-03-09Bibliographically approved
In thesis
1. Electrochemical characterization of LiNi1/3Mn1/3Co1/3O2 at different stages of lifetime
Open this publication in new window or tab >>Electrochemical characterization of LiNi1/3Mn1/3Co1/3O2 at different stages of lifetime
2020 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Li-ion batteries have entered our everyday life first as power sources for small electronics, and recently for electric vehicles and stationary storage applications. As the requirements on the performance and lifetime of Li-ion batteries increase and diversify, it becomes paramount to properly understand their electrochemical performance at single-electrode level, and their evolution over cycling. This is crucial for both the design of improved electrode materials, better suited for the most recent applications, but also for accurately predicting the performance decay of existing devices. As the component of focus, the positive electrode was chosen, since it limits both power and energy in Li-ion batteries. Specifically, the material investigated was LiNi1/3Mn1/3Co1/3O2 (NMC111), a state-of-the-art, fully commercial electrode, as well as the precursor for Nirich LiNixMnyCo1 –x –yO2, towards which research is very active. Starting at Beginning of Life, NMC111 was characterized though a combination of electrochemical techniques at varying temperatures (Constant Current cycling, Cyclic Voltammetry, Galvanostatic Intermittent Titration Technique, and Electrochemical Impedance Spectroscopy), which were compared and discussed in terms of electrode response and suitability. Thermodynamic and dynamic properties were obtained, and supported the design of a semi-empirical model for predicting LIBs voltage characteristics. This knowledge was also used to monitor the evolution of NMC111’s performance under high voltage operation, and the possibility of connecting changes in the electrochemical response to specific ageing phenomena: this information could support the creation of physics-based predictive models.

Abstract [sv]

Litiumjonbatterier är numera en del av vår vardag och har sedan länge

använts som energilager i konsumentelektronik och har på senare år även blivit en viktig del i elektrifierade fordon samt för stationär energilagring.

När kraven på prestanda och livslängd för litiumjonbatterierna ökar

och diversifieras blir det viktigare att förstå den elektrokemiska prestandan på elektrodnivå och hur egenskaperna förändras vid cykling. Detta är avgörande för utformning av förbättrade elektrodmaterial som är bättre lämpade för framtida applikationer, samt också för att kunna förutsäga batteriprestandaförlust i befintliga applikationer. Detta arbete har fokuserat

på den positiva elektroden eftersom den är begränsande både gällande effekt och energi i litiumjonbatterier. Elektrodmaterialet

LiNi1/3Mn1/3Co1/3O2 (NMC111), ett kommersiell tillgängligt och ofta använt elektrodmaterial i dagens litiumjonbatterier har undersökts i detta arbete.

Detta material är föregångare till de nickelrika elektrodmaterial (LiNixMnyCo1-x-yO2) där intensiv forskning sker idag. Undersökning av nytt NMC111-material utfördes med en kombination av tekniker vid varierande temperaturer (konstantströmcykling, cyklisk voltammetri, galvanostatisk intermittent titreringsteknik och elektrokemisk impedansspektroskopi) och resultaten jämfördes och diskuterades med avseende på elektrodrespons och lämplighet. Termodynamiska och dynamiska egenskaper erhölls och stödde utformningen av en semi-empirisk modell för att förutsäga

spänningsegenskaper hos litiumjonbatterier. Denna kunskap användes också för att övervaka förändringen av egenskaperna hos NMC111 vid cykling till högre spänningsnivåer samt för att försöka sammankoppla förändringar av elektrokemiska egenskaper till specifika åldringsfenomen: denna information kan stödja skapandet av fysikbaserade prediktiva modeller.​

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2020. p. 68
Series
TRITA-CBH-FOU ; 2020:13
Keywords
Li-ion battery, positive electrode, LiNi1/3Mn1/3Co1/3O2, electrochemical characterization, ageing, semi-empirical model
National Category
Engineering and Technology
Research subject
Chemical Engineering
Identifiers
urn:nbn:se:kth:diva-268936 (URN)978-91-7873-457-3 (ISBN)
Public defence
2020-03-27, https://kth-se.zoom.us/webinar/register/WN_BfA8UJa9TpyPf7oprzShDA, 10:00 (English)
Opponent
Supervisors
Note

QC 2020-02-27

Available from: 2020-02-27 Created: 2020-02-26 Last updated: 2020-03-25Bibliographically approved

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