- Defect Chemistry in Layered LiMO2 (M = Co, Ni, Mn, and Li1/3Mn2/3) by First-Principles Calculations
[作者:KOYAMA YUKINORI; ARAI HAJIME; TANAKA ISAO; UCHIMOTO YOSHIHARU; OGUMI ZEMPACHI,期刊:Chemistry of Materials, 页码:3886-3894 , 文章类型: Article,,卷期:2012年24-20]
- The defect chemistry in a series of layered lithium transition-metal oxides, LiMO2 (M = Co, Ni, Mn, and Li1/3Mn2/3), is investigated by systematic first-principles calculations. The calculations clearly show that Ni3+ io...
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