Ionic model approach to battery voltage of NaMO2

Wataru Kobayashi, Yutaka Moritomo

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Abstract

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).

Original languageEnglish
Article number104712
JournalJournal of the Physical Society of Japan
Volume83
Issue number10
DOIs
Publication statusPublished - 2014 Oct 15
Externally publishedYes

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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