富锂锰基三元材料Li1.208Ni0.333Co0.042Mn0.417O2的电子结构和缺陷性质 |
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图 3 (a) Li1.208Ni0.333Co0.042Mn0.417O2材料的总态密度和各原子分态密度; (b)—(d) 金属空位形成前后材料中空位周围的6个氧原子的2p电子态密度和, 分别用黑色和红色实线表示 Fig. 3. (a) Total and atomic-decomposed partial density of states for Li1.208Ni0.333Co0.042Mn0.417O2; (b)–(d) sum of the density of states of 2p electronic states of the six oxygen atoms around the M-vacancy before and after the formation of M vacancy, respectively. Black and red solid lines represent DOSs before and after the vacancy formation, respectively. |
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