The DOI matches its Crossref record; 30 of the 30 references it cites were found in a registry or an index.
Lithium-Assisted Plastic Deformation of Silicon Electrodes in Lithium-Ion Batteries: A First-Principles Theoretical Study
Open accessAbstract
Silicon can host a large amount of lithium, making it a promising electrode for high-capacity lithium-ion batteries. Recent experiments indicate that silicon experiences large plastic deformation upon Li absorption, which can significantly decrease the stresses induced by lithiation and thus mitigate fracture failure of electrodes. These issues become especially relevant in nanostructured electrodes with confined geometries. On the basis of first-principles calculations, we present a study of the microscopic deformation mechanism of lithiated silicon at relatively low Li concentration, which captures the onset of plasticity induced by lithiation. We find that lithium insertion leads to breaking of Si-Si bonds and formation of weaker bonds between neighboring Si and Li atoms, which results in a decrease in Young's modulus, a reduction in strength, and a brittle-to-ductile transition with increasing Li concentration. The microscopic mechanism of large plastic deformation is attributed to continuous lithium-assisted breaking and re-forming of Si-Si bonds and the creation of nanopores.
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Cites
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Liu, X. H., Zhong, L., Huang, S., Mao, S. X., Zhu, T., & Huang, J. Y. (2012) · ACS Nano · doi:10.1021/nn204476h · Cited by 2,376
Understanding the Anchoring Effect of Two-Dimensional Layered Materials for Lithium–Sulfur Batteries
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Multi-scale computation methods: Their applications in lithium-ion battery research and development
Shi, S., Gao, J., Liu, Y., Zhao, Y., Wu, Q., Ju, W., Ouyang, C., & Xiao, R. (2016) · Chinese Physics B · doi:10.1088/1674-1056/25/1/018212 · Cited by 615
A review of safety-focused mechanical modeling of commercial lithium-ion batteries
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Micro‐ and Nano‐Structured Vanadium Pentoxide (V2O5) for Electrodes of Lithium‐Ion Batteries
Yue, Y., & Liang, H. (2017) · Advanced Energy Materials · doi:10.1002/aenm.201602545 · Cited by 382
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Metadata
- Authors
- Zhao, K., Wang, W. L., Gregoire, J., Pharr, M., Suo, Z., Vlassak, J. J., & Kaxiras, E.
- Venue
- Nano Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-06-24
- Volume
- 11
- Issue
- 7
- Pages
- 2962-2967
- ISSN
- 1530-6984 (ISSN-L)
- 1530-6992
- OpenAlex
- W2091483792
- Cited by
- 342
- References
- 30
- FWCI
- 20.95
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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