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A Combined Computational/Experimental Study on LiNi1/3Co1/3Mn1/3O2
Abstract
A combined computational/experimental study on LiNi 1/3 Co 1/3 Mn 1/ 3 O 2 is presented. Both density functional theory and experiments are used to probe the active redox pairs and changes in electronic structure of LiNi 1/3 Co 1/3 Mn 1/3 O 2 during intercalation or deintercalation of Li. The phase stability and voltage curve of this material are also shown in this paper. Both the experimental and computational data show that LiNi 1/3 Co 1/3 Mn 1/3 O 2 material is a high-capacity stable electrode for advanced rechargeable lithium ion batteries.
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Citations
Cited by
First-principles prediction of redox potentials in transition-metal compounds withLDA+U
Zhou, F., Cococcioni, M., Marianetti, C. A., Morgan, D., & Ceder, G. (2004) · Physical Review B · doi:10.1103/physrevb.70.235121 · Cited by 1,085
Self-citationLi, W., Yang, Y., Zhang, G., & Zhang, Y.-W. (2015) · Nano Letters · doi:10.1021/nl504336h · Cited by 773
Electrochemical Methods for Lithium Recovery: A Comprehensive and Critical Review
Battistel, A., Palagonia, M. S., Brogioli, D., La Mantia, F., & Trócoli, R. (2020) · Advanced Materials · doi:10.1002/adma.201905440 · Cited by 504
Charge-Transfer-Induced Lattice Collapse in Ni-Rich NCM Cathode Materials during Delithiation
Kondrakov, A. O., Geßwein, H., Galdina, K., de Biasi, L., Meded, V., Filatova, E. O., Schumacher, G., Wenzel, W., Hartmann, P., Brezesinski, T., et al. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b06598 · Cited by 367
Chakraborty, A., Kunnikuruvan, S., Kumar, S., Markovsky, B., Aurbach, D., Dixit, M., & Major, D. T. (2020) · Chemistry of Materials · doi:10.1021/acs.chemmater.9b04066 · Cited by 322
Metadata
- Authors
- Hwang, B. J., Tsai, Y. W., Carlier, D., & Ceder, G.
- Venue
- Chemistry of Materials
- Publisher
- American Chemical Society (ACS)
- Published
- 2003-08-15
- Volume
- 15
- Issue
- 19
- Pages
- 3676-3682
- ISSN
- 0897-4756 (ISSN-L)
- 1520-5002
- OpenAlex
- W1977009568
- Cited by
- 500
- References
- 0
- FWCI
- 10.73
- Type
- journal article
- Language
- en
- Open access
- closed
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- Hwang, B. J., Tsai, Y. W., Carlier, D., & Ceder, G. (2003). A Combined Computational/Experimental Study on LiNi1/3Co1/3Mn1/3O2. Chemistry of Materials. https://doi.org/10.1021/cm030299v
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