Theoretical analysis of the oxidation potentials of organic electrolyte solvents

Masaki Okoshi, Atsushi Ishikawa, Yoshiumi Kawamura, Hiromi Nakai

    Research output: Contribution to journalArticle

    2 Citations (Scopus)

    Abstract

    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.

    Original languageEnglish
    Pages (from-to)A103-A105
    JournalECS Electrochemistry Letters
    Volume4
    Issue number9
    DOIs
    Publication statusPublished - 2015

    Fingerprint

    Electrolytes
    Oxidation
    Solvation
    Molecular orbitals
    Hardness

    ASJC Scopus subject areas

    • Electrochemistry
    • Materials Chemistry
    • Fuel Technology

    Cite this

    Theoretical analysis of the oxidation potentials of organic electrolyte solvents. / Okoshi, Masaki; Ishikawa, Atsushi; Kawamura, Yoshiumi; Nakai, Hiromi.

    In: ECS Electrochemistry Letters, Vol. 4, No. 9, 2015, p. A103-A105.

    Research output: Contribution to journalArticle

    Okoshi, Masaki ; Ishikawa, Atsushi ; Kawamura, Yoshiumi ; Nakai, Hiromi. / Theoretical analysis of the oxidation potentials of organic electrolyte solvents. In: ECS Electrochemistry Letters. 2015 ; Vol. 4, No. 9. pp. A103-A105.
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