Modeling of Lithium Nucleation and Plating Kinetics Under Fast Charge Conditions

Vikrant, K. N.; Allu, Srikanth

doi:10.1149/1945-7111/abe5e7

Modeling of Lithium Nucleation and Plating Kinetics Under Fast Charge Conditions

Journal Article · Mon Feb 22 23:00:00 EST 2021 · Journal of the Electrochemical Society

DOI:https://doi.org/10.1149/1945-7111/abe5e7· OSTI ID:1797667

Vikrant, K. N. ^[1]; ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Sciences & Engineering Division

The onset of lithium nucleation and subsequent plating on the graphite particles is a challenging problem in the design of fast charging batteries. Here, a variational phase field formulation has been developed to initiate the nucleation of lithium particles based on the local plating overpotential conditions and allowing to predict the lithium plating under fast charge conditions. The model demonstrates that (1) at small charging current density, there is no nucleation and plating of metallic lithium, and no effect on the intercalation kinetics; (2) at intermediate charging current densities, initially a stagnated growth from isolated lithium nuclei is observed followed by a continuous growth of metallic lithium; (3) at large charging current densities, a continuous growth of metallic lithium resulting from coalescence of small nuclei into large nuclei decreases the excess interfacial energy, which in turn slows down the intercalation kinetics. The formulation sets the stage for predicting and evaluating the influence of various electrolyte compositions, graphite particle morphologies and electrode loadings on the nucleation and plating dynamics under fast charge conditions.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1797667

Journal Information:: Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Journal Issue: 2 Vol. 168; ISSN 0013-4651

Publisher:: IOP Publishing - The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (53)

Towards High-Safe Lithium Metal Anodes: Suppressing Lithium Dendrites via Tuning Surface Energy Wang, Dong; Zhang, Wei; Zheng, Weitao Advanced Science, Vol. 4, Issue 1 https://doi.org/10.1002/advs.201600168	journal	July 2016
Direct Observation of the Growth of Lithium Dendrites on Graphite Anodes by Operando EC-AFM Shen, Cai; Hu, Guohong; Cheong, Ling-Zhi Small Methods, Vol. 2, Issue 2 https://doi.org/10.1002/smtd.201700298	journal	December 2017
Effect of charge separation on the stability of large wavelength fluctuations during spinodal decomposition Bishop, Catherine M.; García, R. Edwin; Carter, W. Craig Acta Materialia, Vol. 51, Issue 6 https://doi.org/10.1016/S1359-6454(02)00535-9	journal	April 2003
Thermodynamically consistent variational principles with applications to electrically and magnetically active systems Garcı́a, R. Edwin; Bishop, Catherine M.; Carter, W. Craig Acta Materialia, Vol. 52, Issue 1 https://doi.org/10.1016/j.actamat.2003.08.020	journal	January 2004
A phase-field model for electrode reactions with Butler–Volmer kinetics Okajima, Yoshinao; Shibuta, Yasushi; Suzuki, Toshio Computational Materials Science, Vol. 50, Issue 1 https://doi.org/10.1016/j.commatsci.2010.07.015	journal	November 2010
Phase field benchmark problems for dendritic growth and linear elasticity Jokisaari, A. M.; Voorhees, P. W.; Guyer, J. E. Computational Materials Science, Vol. 149 https://doi.org/10.1016/j.commatsci.2018.03.015	journal	June 2018
Direct in situ measurements of Li transport in Li-ion battery negative electrodes Harris, Stephen J.; Timmons, Adam; Baker, Daniel R. Chemical Physics Letters, Vol. 485, Issue 4-6 https://doi.org/10.1016/j.cplett.2009.12.033	journal	January 2010
A Review of Lithium-Ion Battery for Electric Vehicle Applications and Beyond Chen, Weidong; Liang, Jun; Yang, Zhaohua Energy Procedia, Vol. 158 https://doi.org/10.1016/j.egypro.2019.01.783	journal	February 2019
A case for the internal combustion engine powered vehicle Towoju, Olumide A.; Ishola, Felix A. Energy Reports, Vol. 6 https://doi.org/10.1016/j.egyr.2019.11.082	journal	February 2020
Intercalation dynamics in rechargeable battery materials: General theory and phase-transformation waves in LiFePO4 Singh, Gogi K.; Ceder, Gerbrand; Bazant, Martin Z. Electrochimica Acta, Vol. 53, Issue 26 https://doi.org/10.1016/j.electacta.2008.03.083	journal	November 2008
Phase Transformation Dynamics in Porous Battery Electrodes Ferguson, Todd R.; Bazant, Martin Z. Electrochimica Acta, Vol. 146 https://doi.org/10.1016/j.electacta.2014.08.083	journal	November 2014
Electrode scale and electrolyte transport effects on extreme fast charging of lithium-ion cells Colclasure, Andrew M.; Tanim, Tanvir R.; Jansen, Andrew N. Electrochimica Acta, Vol. 337 https://doi.org/10.1016/j.electacta.2020.135854	journal	March 2020
Low-temperature charging of lithium-ion cells part I: Electrochemical modeling and experimental investigation of degradation behavior Tippmann, Simon; Walper, Daniel; Balboa, Luis Journal of Power Sources, Vol. 252 https://doi.org/10.1016/j.jpowsour.2013.12.022	journal	April 2014
Lithium plating in lithium-ion batteries at sub-ambient temperatures investigated by in situ neutron diffraction Zinth, Veronika; von Lüders, Christian; Hofmann, Michael Journal of Power Sources, Vol. 271 https://doi.org/10.1016/j.jpowsour.2014.07.168	journal	December 2014
Phase field kinetics of lithium electrodeposits Ely, David R.; Jana, Aniruddha; García, R. Edwin Journal of Power Sources, Vol. 272 https://doi.org/10.1016/j.jpowsour.2014.08.062	journal	December 2014
Dendrite-separator interactions in lithium-based batteries Jana, Aniruddha; Ely, David R.; García, R. Edwin Journal of Power Sources, Vol. 275 https://doi.org/10.1016/j.jpowsour.2014.11.056	journal	February 2015
Lithium plating in a commercial lithium-ion battery – A low-temperature aging study Petzl, Mathias; Kasper, Michael; Danzer, Michael A. Journal of Power Sources, Vol. 275 https://doi.org/10.1016/j.jpowsour.2014.11.065	journal	February 2015
In situ detection of lithium metal plating on graphite in experimental cells Uhlmann, C.; Illig, J.; Ender, M. Journal of Power Sources, Vol. 279 https://doi.org/10.1016/j.jpowsour.2015.01.046	journal	April 2015
Modulation of dendritic patterns during electrodeposition: A nonlinear phase-field model Chen, Lei; Zhang, Hao Wei; Liang, Lin Yun Journal of Power Sources, Vol. 300 https://doi.org/10.1016/j.jpowsour.2015.09.055	journal	December 2015
Lithium plating in lithium-ion batteries investigated by voltage relaxation and in situ neutron diffraction von Lüders, Christian; Zinth, Veronika; Erhard, Simon V. Journal of Power Sources, Vol. 342 https://doi.org/10.1016/j.jpowsour.2016.12.032	journal	February 2017
Modeling of lithium plating induced aging of lithium-ion batteries: Transition from linear to nonlinear aging Yang, Xiao-Guang; Leng, Yongjun; Zhang, Guangsheng Journal of Power Sources, Vol. 360 https://doi.org/10.1016/j.jpowsour.2017.05.110	journal	August 2017
Enabling fast charging – A battery technology gap assessment Ahmed, Shabbir; Bloom, Ira; Jansen, Andrew N. Journal of Power Sources, Vol. 367 https://doi.org/10.1016/j.jpowsour.2017.06.055	journal	November 2017
Enabling fast charging – Battery thermal considerations Keyser, Matthew; Pesaran, Ahmad; Li, Qibo Journal of Power Sources, Vol. 367 https://doi.org/10.1016/j.jpowsour.2017.07.009	journal	November 2017
Li plating as unwanted side reaction in commercial Li-ion cells – A review Waldmann, Thomas; Hogg, Björn-Ingo; Wohlfahrt-Mehrens, Margret Journal of Power Sources, Vol. 384 https://doi.org/10.1016/j.jpowsour.2018.02.063	journal	April 2018
Lithium dendrite growth mechanisms in liquid electrolytes Jana, Aniruddha; García, R. Edwin Nano Energy, Vol. 41 https://doi.org/10.1016/j.nanoen.2017.08.056	journal	November 2017
An Electrochemical Model of Lithium Plating and Stripping in Lithium Ion Batteries Hein, Simon; Danner, Timo; Latz, Arnulf ACS Applied Energy Materials, Vol. 3, Issue 9 https://doi.org/10.1021/acsaem.0c01155	journal	July 2020
Quantification of Inactive Lithium and Solid–Electrolyte Interphase Species on Graphite Electrodes after Fast Charging McShane, Eric J.; Colclasure, Andrew M.; Brown, David E. ACS Energy Letters, Vol. 5, Issue 6 https://doi.org/10.1021/acsenergylett.0c00859	journal	May 2020
Anisotropic Phase Boundary Morphology in Nanoscale Olivine Electrode Particles Tang, Ming; Belak, James F.; Dorr, Milo R. The Journal of Physical Chemistry C, Vol. 115, Issue 11 https://doi.org/10.1021/jp109628m	journal	February 2011
Coherency Strain and the Kinetics of Phase Separation in LiFePO ₄ Nanoparticles Cogswell, Daniel A.; Bazant, Martin Z. ACS Nano, Vol. 6, Issue 3 https://doi.org/10.1021/nn204177u	journal	February 2012
Charged grain boundary transitions in ionic ceramics for energy applications Vikrant, K. S. N.; García, R. Edwin npj Computational Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41524-019-0159-2	journal	February 2019
Flash sintering incubation kinetics Vikrant, K. S. N.; Wang, Han; Jana, Aniruddha npj Computational Materials, Vol. 6, Issue 1 https://doi.org/10.1038/s41524-020-00359-7	journal	July 2020
Status and challenges in enabling the lithium metal electrode for high-energy and low-cost rechargeable batteries Albertus, Paul; Babinec, Susan; Litzelman, Scott Nature Energy, Vol. 3, Issue 1 https://doi.org/10.1038/s41560-017-0047-2	journal	December 2017
Transition of lithium growth mechanisms in liquid electrolytes Bai, Peng; Li, Ju; Brushett, Fikile R. Energy & Environmental Science, Vol. 9, Issue 10 https://doi.org/10.1039/C6EE01674J	journal	January 2016
Electrochemomechanics of lithium dendrite growth Jana, Aniruddha; Woo, Sang Inn; Vikrant, K. S. N. Energy & Environmental Science, Vol. 12, Issue 12 https://doi.org/10.1039/C9EE01864F	journal	January 2019
Energy storage emerging: A perspective from the Joint Center for Energy Storage Research Trahey, Lynn; Brushett, Fikile R.; Balsara, Nitash P. Proceedings of the National Academy of Sciences, Vol. 117, Issue 23 https://doi.org/10.1073/pnas.1821672117	journal	June 2020
Phase field approach to heterogeneous crystal nucleation in alloys Warren, James A.; Pusztai, Tamás; Környei, László Physical Review B, Vol. 79, Issue 1 https://doi.org/10.1103/PhysRevB.79.014204	journal	January 2009
Phase field modeling of electrochemistry. I. Equilibrium Guyer, J. E.; Boettinger, W. J.; Warren, J. A. Physical Review E, Vol. 69, Issue 2 https://doi.org/10.1103/PhysRevE.69.021603	journal	February 2004
Quantitative phase-field modeling of dendritic electrodeposition Cogswell, Daniel A. Physical Review E, Vol. 92, Issue 1 https://doi.org/10.1103/PhysRevE.92.011301	journal	July 2015
Phase-Field Simulation of Solidification Boettinger, W. J.; Warren, J. A.; Beckermann, C. Annual Review of Materials Research, Vol. 32, Issue 1 https://doi.org/10.1146/annurev.matsci.32.101901.155803	journal	August 2002
Heterogeneous Nucleation and Growth of Lithium Electrodeposits on Negative Electrodes Ely, David R.; García, R. Edwin Journal of The Electrochemical Society, Vol. 160, Issue 4 https://doi.org/10.1149/1.057304jes	journal	January 2013
Mathematical Modeling of the Lithium Deposition Overcharge Reaction in Lithium-Ion Batteries Using Carbon-Based Negative Electrodes Arora, Pankaj Journal of The Electrochemical Society, Vol. 146, Issue 10 https://doi.org/10.1149/1.1392512	journal	January 1999
Microstructural Modeling and Design of Rechargeable Lithium-Ion Batteries Garcı́a, R. Edwin; Chiang, Yet-Ming; Craig Carter, W. Journal of The Electrochemical Society, Vol. 152, Issue 1 https://doi.org/10.1149/1.1836132	journal	January 2005
Two-Dimensional Modeling of Lithium Deposition during Cell Charging Tang, Maureen; Albertus, Paul; Newman, John Journal of The Electrochemical Society, Vol. 156, Issue 5 https://doi.org/10.1149/1.3095513	journal	January 2009
Effects of Electrolyte Composition on Lithium Plating in Lithium-Ion Cells Smart, M. C.; Ratnakumar, B. V. Journal of The Electrochemical Society, Vol. 158, Issue 4 https://doi.org/10.1149/1.3544439	journal	January 2011
Fast Charging of Lithium-ion Batteries via Electrode Engineering Vishnugopi, Bairav S.; Verma, Ankit; Mukherjee, Partha P. Journal of The Electrochemical Society, Vol. 167, Issue 9 https://doi.org/10.1149/1945-7111/ab7fb9	journal	January 2020
Prediction of Reversible Lithium Plating with a Pseudo-3D Lithium-Ion Battery Model Carelli, Serena; Bessler, Wolfgang G. Journal of The Electrochemical Society, Vol. 167, Issue 10 https://doi.org/10.1149/1945-7111/ab95c8	journal	June 2020
Review—Lithium Plating Detection Methods in Li-Ion Batteries Janakiraman, Umamaheswari; Garrick, Taylor R.; Fortier, Mary E. Journal of The Electrochemical Society, Vol. 167, Issue 16 https://doi.org/10.1149/1945-7111/abd3b8	journal	December 2020
Review and Performance Comparison of Mechanical-Chemical Degradation Models for Lithium-Ion Batteries Reniers, Jorn M.; Mulder, Grietus; Howey, David A. Journal of The Electrochemical Society, Vol. 166, Issue 14 https://doi.org/10.1149/2.0281914jes	journal	January 2019
Requirements for Enabling Extreme Fast Charging of High Energy Density Li-Ion Cells while Avoiding Lithium Plating Colclasure, Andrew M.; Dunlop, Alison R.; Trask, Stephen E. Journal of The Electrochemical Society, Vol. 166, Issue 8 https://doi.org/10.1149/2.0451908jes	journal	January 2019
Nonequilibrium Thermodynamics of Porous Electrodes Ferguson, Todd R.; Bazant, Martin Z. Journal of The Electrochemical Society, Vol. 159, Issue 12 https://doi.org/10.1149/2.048212jes	journal	January 2012
In Situ Detection of Lithium Plating on Graphite Electrodes by Electrochemical Calorimetry Downie, L. E.; Krause, L. J.; Burns, J. C. Journal of The Electrochemical Society, Vol. 160, Issue 4 https://doi.org/10.1149/2.049304jes	journal	January 2013
Direct In Situ Observation and Numerical Simulations of Non-Shrinking-Core Behavior in an MCMB Graphite Composite Electrode Harris, Stephen J.; Rahani, Ehsan Kabiri; Shenoy, Vivek B. Journal of The Electrochemical Society, Vol. 159, Issue 9 https://doi.org/10.1149/2.055209jes	journal	January 2012
How Observable Is Lithium Plating? Differential Voltage Analysis to Identify and Quantify Lithium Plating Following Fast Charging of Cold Lithium-Ion Batteries Campbell, Ian D.; Marzook, Mohamed; Marinescu, Monica Journal of The Electrochemical Society, Vol. 166, Issue 4 https://doi.org/10.1149/2.0821904jes	journal	January 2019

Similar Records

Comprehensive Insights into Nucleation, Autocatalytic Growth, and Stripping Efficiency for Lithium Plating in Full Cells

Journal Article · Thu Sep 30 00:00:00 EDT 2021 · ACS Energy Letters · OSTI ID:1832211

Nanoscale Nucleation and Growth of Electrodeposited Lithium Metal

Journal Article · Mon Jan 09 23:00:00 EST 2017 · Nano Letters · OSTI ID:1353101

Operando video microscopy of Li plating and re-intercalation on graphite anodes during fast charging

Journal Article · Mon Oct 18 00:00:00 EDT 2021 · Journal of Materials Chemistry. A · OSTI ID:1924793

Related Subjects

25 ENERGY STORAGE
batteries
fast charge
lithium plating
nucleation and growth
phase field

Modeling of Lithium Nucleation and Plating Kinetics Under Fast Charge Conditions

Citation Formats

References (53)

Similar Records

Related Subjects