The Atomic and Electronic Structure Changes Upon Delithiation of LiCoO2: From First Principles Calculations
The physical origin of the degradation on the cycling performance of LiCoO2 upon deep lithium extraction is studied from first principles calculations. Results show that the structural stability is strongly associated with the electronic structures of Co-3d, which is very flexible and can be exhibit...
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| 主要な著者: | , , , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Elsevier
2012-10-01
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| シリーズ: | International Journal of Electrochemical Science |
| 主題: | |
| オンライン･アクセス: | http://www.sciencedirect.com/science/article/pii/S1452398123162055 |
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