Free energy profiles of electron transfer at water-electrode interface studied by the reference interaction site model theory

Ryo Akiyama, Masahiro Kinoshita, Fumio Hirata

研究成果: Contribution to journalArticle査読

11 被引用数 (Scopus)

抄録

Free energy profiles governing electron transfer from a reactant to an electrode surface in water are investigated, based on the reference interaction site model (RISM) theory. Three models of a redox pair for charge separation reactions are examined: a pair of atomic solutes, and systems consisting of an atom and a surface with a localized or a delocalized electron. The profile becomes highly asymmetrical, when an electron in the electrode is delocalized. The behaviors are essentially due to the asymmetrical response of water polarization to positive and negative charges of solute. The results are related to models of ion-hydration.

本文言語英語
ページ(範囲)251-257
ページ数7
ジャーナルChemical Physics Letters
305
3-4
DOI
出版ステータス出版済み - 5 21 1999
外部発表はい

All Science Journal Classification (ASJC) codes

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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