The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
First Principles Model of Amorphous Silicon Lithiation
Abstract
A protocol to simulate the lithiation of amorphous Si at room temperature is presented. One important step in the protocol is the identification of spherical voids in the lithiated structure. The protocol is simple, easily implemented and automated, and can be used with any modeling code capable of structural optimization. The protocol was used in conjunction with density functional theory and projector augmented wave data sets to accurately reproduce the potential composition curve of an experimental Li / Li x Si electrochemical cell at room temperature. Volume changes as a function of lithiation obtained from the protocol were also in good agreement with experiment. Based on the agreement with experiment, the protocol appears to yield structures representative of amorphous Li x Si obtained when lithiating Si at room temperature.
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Cites
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Cited by
Arrays of Sealed Silicon Nanotubes As Anodes for Lithium Ion Batteries
Song, T., Xia, J., Lee, J.-H., Lee, D. H., Kwon, M.-S., Choi, J.-M., Wu, J., Doo, S. K., Chang, H., Park, W. I., et al. (2010) · Nano Letters · doi:10.1021/nl100086e · Cited by 894
Metadata
- Authors
- Chevrier, V. L., & Dahn, J. R.
- Venue
- Journal of The Electrochemical Society
- Publisher
- The Electrochemical Society
- Published
- 2009
- Volume
- 156
- Issue
- 6
- Pages
- A454
- ISSN
- 0013-4651 (ISSN-L)
- OpenAlex
- W2036855874
- Cited by
- 217
- References
- 1
- FWCI
- 9.77
- Type
- journal article
- Language
- en
- Open access
- closed
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- Chevrier, V. L., & Dahn, J. R. (2009). First Principles Model of Amorphous Silicon Lithiation. Journal of The Electrochemical Society. https://doi.org/10.1149/1.3111037
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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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