Mitigating mechanical failure of crystalline silicon electrodes for lithium batteries by morphological design [Morphological design of silicon electrode with anisotropic interface reaction rate for lithium ion batteries]

An, Yonghao; Wood, Brandon C.; Ye, Jianchao; Chiang, Yet -Ming; Wang, Y. Morris; Tang, Ming; Jiang, Hanqing

doi:10.1039/C5CP01385B

Title: Mitigating mechanical failure of crystalline silicon electrodes for lithium batteries by morphological design [Morphological design of silicon electrode with anisotropic interface reaction rate for lithium ion batteries]

Journal Article · Mon Jun 08 00:00:00 EDT 2015 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/C5CP01385B· OSTI ID:1325880

An, Yonghao ^[1]; Wood, Brandon C. ^[2]; Ye, Jianchao ^[2]; Chiang, Yet -Ming ^[3]; Wang, Y. Morris ^[2]; Tang, Ming ^[4]; Jiang, Hanqing ^[5]

Arizona State Univ., Tempe, AZ (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Rice Univ., Houston, TX (United States)
Arizona State Univ., Mesa, AZ (United States)

Although crystalline silicon (c-Si) anodes promise very high energy densities in Li-ion batteries, their practical use is complicated by amorphization, large volume expansion and severe plastic deformation upon lithium insertion. Recent experiments have revealed the existence of a sharp interface between crystalline Si (c-Si) and the amorphous Li_xSi alloy during lithiation, which propagates with a velocity that is orientation dependent; the resulting anisotropic swelling generates substantial strain concentrations that initiate cracks even in nanostructured Si. Here we describe a novel strategy to mitigate lithiation-induced fracture by using pristine c-Si structures with engineered anisometric morphologies that are deliberately designed to counteract the anisotropy in the crystalline/amorphous interface velocity. This produces a much more uniform volume expansion, significantly reducing strain concentration. Based on a new, validated methodology that improves previous models of anisotropic swelling of c-Si, we propose optimal morphological designs for c-Si pillars and particles. The advantages of the new morphologies are clearly demonstrated by mesoscale simulations and verified by experiments on engineered c-Si micropillars. The results of this study illustrate that morphological design is effective in improving the fracture resistance of micron-sized Si electrodes, which will facilitate their practical application in next-generation Li-ion batteries. In conclusion, the model and design approach present in this paper also have general implications for the study and mitigation of mechanical failure of electrode materials that undergo large anisotropic volume change upon ion insertion and extraction.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1325880

Report Number(s):: LLNL-JRNL-663186; PPCPFQ

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 17, Issue 27; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 22 works

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References (44)

Metal-Assisted Chemical Etching of Silicon: A Review Huang, Zhipeng; Geyer, Nadine; Werner, Peter Advanced Materials, Vol. 23, Issue 2, p. 285-308 https://doi.org/10.1002/adma.201001784	journal	September 2010
Orientation selection in dendritic evolution Haxhimali, Tomorr; Karma, Alain; Gonzales, Frédéric Nature Materials, Vol. 5, Issue 8 https://doi.org/10.1038/nmat1693	journal	July 2006
Challenges for Rechargeable Li Batteries Goodenough, John B.; Kim, Youngsik Chemistry of Materials, Vol. 22, Issue 3, p. 587-603 https://doi.org/10.1021/cm901452z	journal	February 2010
Approaching the Downsizing Limit of Silicon for Surface-Controlled Lithium Storage Wang, Bin; Li, Xianglong; Luo, Bin Advanced Materials, Vol. 27, Issue 9 https://doi.org/10.1002/adma.201405031	journal	January 2015
Real-Time Measurement of Stress and Damage Evolution during Initial Lithiation of Crystalline Silicon Chon, M. J.; Sethuraman, V. A.; McCormick, A. Physical Review Letters, Vol. 107, Issue 4 https://doi.org/10.1103/PhysRevLett.107.045503	journal	July 2011
Morphological Evolution of Si Nanowires upon Lithiation: A First-Principles Multiscale Model Cubuk, Ekin D.; Wang, Wei L.; Zhao, Kejie Nano Letters, Vol. 13, Issue 5 https://doi.org/10.1021/nl400132q	journal	April 2013
Issues and challenges facing rechargeable lithium batteries Tarascon, J.-M.; Armand, M. Nature, Vol. 414, Issue 6861, p. 359-367 https://doi.org/10.1038/35104644	journal	November 2001
First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon Chan, Maria K. Y.; Wolverton, C.; Greeley, Jeffrey P. Journal of the American Chemical Society, Vol. 134, Issue 35 https://doi.org/10.1021/ja301766z	journal	August 2012
Nano- and bulk-silicon-based insertion anodes for lithium-ion secondary cells Kasavajjula, Uday; Wang, Chunsheng; Appleby, A. John Journal of Power Sources, Vol. 163, Issue 2, p. 1003-1039 https://doi.org/10.1016/j.jpowsour.2006.09.084	journal	January 2007
Anisotropic Swelling and Fracture of Silicon Nanowires during Lithiation Liu, Xiao Hua; Zheng, He; Zhong, Li Nano Letters, Vol. 11, Issue 8, p. 3312-3318 https://doi.org/10.1021/nl201684d	journal	August 2011
Tuning Light Absorption in Core/Shell Silicon Nanowire Photovoltaic Devices through Morphological Design Kim, Sun-Kyung; Day, Robert W.; Cahoon, James F. Nano Letters, Vol. 12, Issue 9 https://doi.org/10.1021/nl302578z	journal	January 2012
Studying the Kinetics of Crystalline Silicon Nanoparticle Lithiation with In Situ Transmission Electron Microscopy McDowell, Matthew T.; Ryu, Ill; Lee, Seok Woo Advanced Materials, Vol. 24, Issue 45 https://doi.org/10.1002/adma.201202744	journal	September 2012
High-performance lithium-ion anodes using a hierarchical bottom-up approach Magasinski, A.; Dixon, P.; Hertzberg, B. Nature Materials, Vol. 9, Issue 4, p. 353-358 https://doi.org/10.1038/nmat2725	journal	March 2010
High-Areal-Capacity Silicon Electrodes with Low-Cost Silicon Particles Based on Spatial Control of Self-Healing Binder Chen, Zheng; Wang, Chao; Lopez, Jeffrey Advanced Energy Materials, Vol. 5, Issue 8 https://doi.org/10.1002/aenm.201401826	journal	January 2015
Silicon Thin Films as Anodes for High-Performance Lithium-Ion Batteries with Effective Stress Relaxation Yu, Cunjiang; Li, Xin; Ma, Teng Advanced Energy Materials, Vol. 2, Issue 1 https://doi.org/10.1002/aenm.201100634	journal	December 2011
High-performance lithium battery anodes using silicon nanowires Chan, Candace K.; Peng, Hailin; Liu, Gao Nature Nanotechnology, Vol. 3, Issue 1, p. 31-35 https://doi.org/10.1038/nnano.2007.411	journal	December 2007
Self-Limiting Lithiation in Silicon Nanowires Liu, Xiao Hua; Fan, Feifei; Yang, Hui ACS Nano, Vol. 7, Issue 2 https://doi.org/10.1021/nn305282d	journal	January 2013
Enhanced lithiation and fracture behavior of silicon mesoscale pillars via atomic layer coatings and geometry design Ye, J. C.; An, Y. H.; Heo, T. W. Journal of Power Sources, Vol. 248 https://doi.org/10.1016/j.jpowsour.2013.09.097	journal	February 2014
In situ atomic-scale imaging of electrochemical lithiation in silicon Liu, Xiao Hua; Wang, Jiang Wei; Huang, Shan Nature Nanotechnology, Vol. 7, Issue 11 https://doi.org/10.1038/nnano.2012.170	journal	October 2012
Large Plastic Deformation in High-Capacity Lithium-Ion Batteries Caused by Charge and Discharge: Large Plastic Deformation in Lithium-Ion Batteries Zhao, Kejie; Pharr, Matt; Cai, Shengqiang Journal of the American Ceramic Society, Vol. 94 https://doi.org/10.1111/j.1551-2916.2011.04432.x	journal	March 2011
Stress Contributions to Solution Thermodynamics in Li-Si Alloys Sheldon, Brian W.; Soni, Sumit K.; Xiao, Xingcheng Electrochemical and Solid-State Letters, Vol. 15, Issue 1 https://doi.org/10.1149/2.016201esl	journal	January 2012
A Phase-Field Model Coupled with Large Elasto-Plastic Deformation: Application to Lithiated Silicon Electrodes Chen, L.; Fan, F.; Hong, L. Journal of The Electrochemical Society, Vol. 161, Issue 11 https://doi.org/10.1149/2.0171411jes	journal	January 2014
A finite element simulation on transient large deformation and mass diffusion in electrodes for lithium ion batteries An, Yonghao; Jiang, Hanqing Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 7 https://doi.org/10.1088/0965-0393/21/7/074007	journal	October 2013
Quantitative Fracture Strength and Plasticity Measurements of Lithiated Silicon Nanowires by In Situ TEM Tensile Experiments Kushima, Akihiro; Huang, Jian Yu; Li, Ju ACS Nano, Vol. 6, Issue 11 https://doi.org/10.1021/nn3037623	journal	October 2012
Size-Dependent Fracture of Silicon Nanoparticles During Lithiation Liu, Xiao Hua; Zhong, Li; Huang, Shan ACS Nano, Vol. 6, Issue 2 https://doi.org/10.1021/nn204476h	journal	January 2012
Building better batteries Armand, M.; Tarascon, J.-M. Nature, Vol. 451, Issue 7179, p. 652-657 https://doi.org/10.1038/451652a	journal	February 2008
Ex-situ depth-sensing indentation measurements of electrochemically produced Si–Li alloy films Hertzberg, Benjamin; Benson, Jim; Yushin, Gleb Electrochemistry Communications, Vol. 13, Issue 8 https://doi.org/10.1016/j.elecom.2011.05.011	journal	August 2011
Nanostructured materials for advanced energy conversion and storage devices Aricò, Antonino Salvatore; Bruce, Peter; Scrosati, Bruno Nature Materials, Vol. 4, Issue 5, p. 366-377 https://doi.org/10.1038/nmat1368	journal	May 2005
What is the Young's Modulus of Silicon? Hopcroft, Matthew A.; Nix, William D.; Kenny, Thomas W. Journal of Microelectromechanical Systems, Vol. 19, Issue 2 https://doi.org/10.1109/JMEMS.2009.2039697	journal	April 2010
Fracture of crystalline silicon nanopillars during electrochemical lithium insertion Lee, S. W.; McDowell, M. T.; Berla, L. A. Proceedings of the National Academy of Sciences, Vol. 109, Issue 11 https://doi.org/10.1073/pnas.1201088109	journal	February 2012
A finite strain model of stress, diffusion, plastic flow, and electrochemical reactions in a lithium-ion half-cell Bower, A. F.; Guduru, P. R.; Sethuraman, V. A. Journal of the Mechanics and Physics of Solids, Vol. 59, Issue 4 https://doi.org/10.1016/j.jmps.2011.01.003	journal	April 2011
Stress generation during lithiation of high-capacity electrode particles in lithium ion batteries Huang, S.; Fan, F.; Li, J. Acta Materialia, Vol. 61, Issue 12 https://doi.org/10.1016/j.actamat.2013.04.007	journal	July 2013
Inelastic hosts as electrodes for high-capacity lithium-ion batteries Zhao, Kejie; Pharr, Matt; Vlassak, Joost J. Journal of Applied Physics, Vol. 109, Issue 1 https://doi.org/10.1063/1.3525990	journal	January 2011
Interface-reaction controlled diffusion in binary solids with applications to lithiation of silicon in lithium-ion batteries Cui, Zhiwei; Gao, Feng; Qu, Jianmin Journal of the Mechanics and Physics of Solids, Vol. 61, Issue 2 https://doi.org/10.1016/j.jmps.2012.11.001	journal	February 2013
Anomalous Shape Changes of Silicon Nanopillars by Electrochemical Lithiation Lee, Seok Woo; McDowell, Matthew T.; Choi, Jang Wook Nano Letters, Vol. 11, Issue 7 https://doi.org/10.1021/nl201787r	journal	July 2011
Determination of the diffusion coefficient of lithium ions in nano-Si Ding, N.; Xu, J.; Yao, Y. X. Solid State Ionics, Vol. 180, Issue 2-3 https://doi.org/10.1016/j.ssi.2008.12.015	journal	March 2009
Stable cycling of double-walled silicon nanotube battery anodes through solid–electrolyte interphase control Wu, Hui; Chan, Gerentt; Choi, Jang Wook Nature Nanotechnology, Vol. 7, Issue 5 https://doi.org/10.1038/nnano.2012.35	journal	March 2012
A chemo-mechanical model of lithiation in silicon Yang, Hui; Fan, Feifei; Liang, Wentao Journal of the Mechanics and Physics of Solids, Vol. 70 https://doi.org/10.1016/j.jmps.2014.06.004	journal	October 2014
Anisotropic Etching of Crystalline Silicon in Alkaline Solutions Seidel, H. Journal of The Electrochemical Society, Vol. 137, Issue 11 https://doi.org/10.1149/1.2086278	journal	January 1990
Orientation-Dependent Interfacial Mobility Governs the Anisotropic Swelling in Lithiated Silicon Nanowires Yang, Hui; Huang, Shan; Huang, Xu Nano Letters, Vol. 12, Issue 4 https://doi.org/10.1021/nl204437t	journal	January 2012
Phase-field model study of the effect of interface anisotropy on the crystal morphological evolution of cubic metals Qin, R. S.; Bhadeshia, H. K. D. H. Acta Materialia, Vol. 57, Issue 7 https://doi.org/10.1016/j.actamat.2009.01.024	journal	April 2009
Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical Study Tritsaris, Georgios A.; Zhao, Kejie; Okeke, Onyekwelu U. The Journal of Physical Chemistry C, Vol. 116, Issue 42 https://doi.org/10.1021/jp307221q	journal	October 2012
Anisotropic Etching of Crystalline Silicon in Alkaline Solutions: I . Orientation Dependence and Behavior of Passivation Layers Seidel, H.; Csepregi, L.; Heuberger, A. Journal of The Electrochemical Society, Vol. 137, Issue 11, p. 3612-3626 https://doi.org/10.1149/1.2086277	journal	January 1990
Electrochemically-driven solid-state amorphization in lithium-silicon alloys and implications for lithium storage Limthongkul, Pimpa; Jang, Young-Il; Dudney, Nancy J. Acta Materialia, Vol. 51, Issue 4 https://doi.org/10.1016/S1359-6454(02)00514-1	journal	February 2003

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Title: Mitigating mechanical failure of crystalline silicon electrodes for lithium batteries by morphological design [Morphological design of silicon electrode with anisotropic interface reaction rate for lithium ion batteries]

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