Theoretical analysis of the oxidation potentials of organic electrolyte solvents

Masaki Okoshi, Atsushi Ishikawa, Yoshiumi Kawamura, Hiromi Nakai

研究成果: Article査読

4 被引用数 (Scopus)

抄録

This study theoretically evaluated oxidation potentials of a wide variety of solvents, using the recently developed highly reliable solvation model, called HSM, combined with the accurate quantum chemical methods. Reasonable agreements with experimental values were observed. Analyses on the characteristics of the highest occupied molecular orbital and chemical hardness of solvents showed qualitative and quantitative correlations with oxidation potentials, respectively.

本文言語English
ページ(範囲)A103-A105
ジャーナルECS Electrochemistry Letters
4
9
DOI
出版ステータスPublished - 2015

ASJC Scopus subject areas

  • 燃料技術
  • 電気化学
  • 材料化学

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