TY - JOUR
T1 - Ionic model approach to battery voltage of NaMO2
AU - Kobayashi, Wataru
AU - Moritomo, Yutaka
PY - 2014/10/15
Y1 - 2014/10/15
N2 - 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).
AB - 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).
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U2 - 10.7566/JPSJ.83.104712
DO - 10.7566/JPSJ.83.104712
M3 - Article
AN - SCOPUS:84924942932
SN - 0031-9015
VL - 83
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
IS - 10
M1 - 104712
ER -