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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/11899
Title: Modeling of lithium segregation induced delamination of a-Si thin film anode in Li-ion batteries
Authors: Pal S.
Damle S.S.
Kumta P.N.
Maiti S.
Published in: Computational Materials Science
Abstract: Amorphous silicon thin film deposited on copper current collector is a promising candidate for the high capacity lithium-ion battery (LIB) anode. However these systems exhibit a rapid capacity fade, and as a result, poor cyclic performance. Interfacial delamination due to lithium intercalation induced stress is the primary reason behind this capacity fade. For the case of a clean interface, crack blunting resulting from the plastic flow of the metallic substrate will eventually arrest the delamination. However, experimental observations suggest a complete delamination of the thin film from the substrate indicating the existence of interface embrittling mechanisms. Further experiments have revealed the evidence of segregation of lithium into the interfacial region that can potentially embrittle the interface. The focus of the current study is to investigate the role of such irreversible mechanisms at the interface on its delamination response during electrochemical cycling. Towards this end, we have developed a computational framework that accounts for coupled diffusion induced large deformation in silicon thin film, elasto-plastic deformation of the copper current collector, as well as the nucleation and propagation of interfacial delamination. A detailed parametric study has been presented to investigate the effect of segregation induced embrittlement on the delamination growth. Present analysis provides a mechanistic understanding of the delamination behavior of the interface between the silicon thin film and copper current collector that may help in the design of future thin film based LIB anodes with improved cyclic performance. © 2013 Elsevier B.V. All rights reserved.
Citation: Computational Materials Science (2013), 79(): 877-887
URI: https://doi.org/10.1016/j.commatsci.2013.06.051
http://repository.iitr.ac.in/handle/123456789/11899
Issue Date: 2013
Keywords: Crack arrest
Delamination
Diffusion-induced stress
Embrittlement
Lithium-ion battery
ISSN: 9270256
Author Scopus IDs: 35321222100
55568706200
55663968300
7202014965
Author Affiliations: Pal, S., Department of Bioengineering, 207 CNBIO, University of Pittsburgh, 300 Technology Drive, Pittsburgh, PA 15219, United States
Damle, S.S., Department of Chemical Engineering, University of Pittsburgh, PA 15261, United States, Center for Complex Engineered Multifunctional Materials, University of Pittsburgh, PA 15261, United States
Kumta, P.N., Department of Bioengineering, 207 CNBIO, University of Pittsburgh, 300 Technology Drive, Pittsburgh, PA 15219, United States, Department of Chemical Engineering, University of Pittsburgh, PA 15261, United States, Mechanical Engineering and Materials Science, University of Pittsburgh, PA 15261, United States, Center for Complex Engineered Multifunctional Materials, University of Pittsburgh, PA 15261, United States
Maiti, S., Department of Bioengineering, 207 CNBIO, University of Pittsburgh, 300 Technology Drive, Pittsburgh, PA 15219, United States, Department of Chemical Engineering, University of Pittsburgh, PA 15261, United States, Center for Complex Engineered Multifunctional Materials, University of Pittsburgh, PA 15261, United States
Funding Details: The authors would like to acknowledge the financial support from the US Department of Energy’s Office of Vehicle Technologies BATT program (Contract DE-AC02-05CHI1231), sub contract 6151369, and the National Science Foundation (CBET-0933141). PNK would also like to acknowledge the Edward R. Weidlein Chair Professorship Funds for partial support of this work. In addition, PNK and SM would like to thank the Center for Complex Engineered Multifunctional Materials (CCEMM) for providing a graduate fellowship to perform the simulations and experiments reported in this work. Appendix A
Corresponding Author: Maiti, S.; Department of Bioengineering, 207 CNBIO, University of Pittsburgh, 300 Technology Drive, Pittsburgh, PA 15219, United States; email: spm54@pitt.edu
Appears in Collections:Journal Publications [ME]

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