The DOI matches its Crossref record; 38 of the 38 references it cites were found in a registry or an index.
Coherency Strain and the Kinetics of Phase Separation in LiFePO4 Nanoparticles
Open accessAbstract
A theoretical investigation of the effects of elastic coherency strain on the thermodynamics, kinetics, and morphology of intercalation in single LiFePO(4) nanoparticles yields new insights into this important battery material. Anisotropic elastic stiffness and misfit strains lead to the unexpected prediction that low-energy phase boundaries occur along {101} planes, while conflicting reports of phase boundary orientations are resolved by a partial loss of coherency in the [001] direction. Elastic relaxation near surfaces leads to the formation of a striped morphology with a characteristic length scale predicted by the model, yielding an estimate of the interfacial energy. The effects of coherency strain on solubility and galvanostatic discharge are studied with a reaction-limited phase-field model that quantitatively captures the influence of misfit strain, particle size, and temperature on solubility seen in experiments. Coherency strain strongly suppresses phase separation during discharge, which enhances rate capability and extends cycle life. The effects of elevated temperature and the feasibility of nucleation are considered in the context of multiparticle cathodes.
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Cites
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Cited by
Pinson, M. B., & Bazant, M. Z. (2013) · Journal of The Electrochemical Society · doi:10.1149/2.044302jes · Cited by 946
Self-citationPredicting the state of charge and health of batteries using data-driven machine learning
Ng, M.-F., Zhao, J., Yan, Q., Conduit, G. J., & Seh, Z. W. (2020) · Nature Machine Intelligence · doi:10.1038/s42256-020-0156-7 · Cited by 793
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Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?
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Metadata
- Authors
- Cogswell, D. A., & Bazant, M. Z.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-02-22
- Volume
- 6
- Issue
- 3
- Pages
- 2215-2225
- ISSN
- 1936-0851 (ISSN-L)
- 1936-086X
- OpenAlex
- W1643519861
- Cited by
- 411
- References
- 38
- FWCI
- 21.77
- Type
- journal article
- Language
- en
- Open access
- hybrid
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