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Ab Initio Investigations of Lithium Diffusion in Carbon Nanotube Systems
Abstract
Li-nanotube systems can substantially improve the capacity of Li-ion batteries by utilizing both nanotube exteriors and interiors. Our ab initio simulations show that while Li motion through the sidewalls is forbidden, Li ions can enter tubes through topological defects containing at least nine-sided rings, or through the ends of open-ended nanotubes. Once inside, their motion is not diffusion limited. These results suggest that "damaging" nanotube ropes by either chemical or mechanical means will yield superior material for electrochemical storage.
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Cited by
Review on recent progress of nanostructured anode materials for Li-ion batteries
Goriparti, S., Miele, E., De Angelis, F., Di Fabrizio, E., Proietti Zaccaria, R., & Capiglia, C. (2014) · Journal of Power Sources · doi:10.1016/j.jpowsour.2013.11.103 · Cited by 2,092
Lithium Diffusion in Graphitic Carbon
Persson, K., Sethuraman, V. A., Hardwick, L. J., Hinuma, Y., Meng, Y. S., van der Ven, A., Srinivasan, V., Kostecki, R., & Ceder, G. (2010) · The Journal of Physical Chemistry Letters · doi:10.1021/jz100188d · Cited by 852
Wu, Y., Wei, Y., Wang, J., Jiang, K., & Fan, S. (2013) · Nano Letters · doi:10.1021/nl3046409 · Cited by 304
First-principles study of Li ion diffusion inLiFePO4
Ouyang, C., Shi, S., Wang, Z., Huang, X., & Chen, L. (2004) · Physical Review B · doi:10.1103/physrevb.69.104303 · Cited by 297
Metadata
- Authors
- Meunier, V., Kephart, J., Roland, C., & Bernholc, J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2002-02-01
- Volume
- 88
- Issue
- 7
- Pages
- 075506-075506
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2009645599
- Cited by
- 283
- References
- 0
- FWCI
- 15.77
- Type
- journal article
- Language
- en
- Open access
- closed
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- Meunier, V., Kephart, J., Roland, C., & Bernholc, J. (2002). Ab Initio Investigations of Lithium Diffusion in Carbon Nanotube Systems. Physical Review Letters. https://doi.org/10.1103/physrevlett.88.075506
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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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