Ionic Model Approach to Battery Voltage of NaMO2
Ionic Model Approach to Battery Voltage of NaMO2
复制标题
DOI：
10.7566/jpsj.83.104712
复制
发表时间：
2014-09
影响因子：
1.7
通讯作者：
W. Kobayashi;Y. Moritomo
中科院分区：
文献类型：
--
作者：
W. Kobayashi;Y. Moritomo
具有层状岩盐结构的NaMO 2（M = Ti、V、Cr、Mn、Fe、Co和Ni）表现出高电池电压（V）和容量（Q），并且被认为是用于钠离子二次电池（SIB）的有前景的阴极材料。在电池参数中，V与化合物的电子结构直接相关。在这里，我们将Torrance等人[Physica C 182，351（1991）]提出的离子模型应用于NaMO 2，并使用结构参数估计V。离子模型再现了V的M-依赖性的全局特征。该分析表明，在后过渡金属化合物（M = Mn-Ni）的充电过程中，电子从O 2 p态被移除。
NaMO2 (M = Ti, V, Cr, Mn, Fe, Co, and Ni) with a layered rock-salt structure exhibits high battery voltage (V) and capacity (Q), and is considered to be a promising cathode material for sodium ion secondary batteries (SIBs). Among the battery parameters, V is directly related to the electronic structure of the compounds. Here, we apply the ionic model proposed by Torrance et al. [Physica C 182, 351 (1991)] to NaMO2 and estimated V using structural parameters. The ionic model reproduces the global feature of the M-dependence of V. This analysis suggests that an electron is removed from the O 2p state in the charge process in the late transition metal compounds (M = Mn–Ni).