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

Ryo Akiyama, Masahiro Kinoshita, Fumio Hirata

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)251-257
Number of pages7
JournalChemical Physics Letters
Volume305
Issue number3-4
DOIs
Publication statusPublished - May 21 1999
Externally publishedYes

Fingerprint

Free energy
electron transfer
free energy
Electrodes
electrodes
Electrons
Water
solutes
profiles
water
interactions
polarization (charge separation)
Hydration
hydration
electrons
Ions
Polarization
Atoms
polarization
atoms

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Free energy profiles of electron transfer at water-electrode interface studied by the reference interaction site model theory. / Akiyama, Ryo; Kinoshita, Masahiro; Hirata, Fumio.

In: Chemical Physics Letters, Vol. 305, No. 3-4, 21.05.1999, p. 251-257.

Research output: Contribution to journalArticle

@article{0db6b0c22fb34543b6377f62166ef9a5,
title = "Free energy profiles of electron transfer at water-electrode interface studied by the reference interaction site model theory",
abstract = "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.",
author = "Ryo Akiyama and Masahiro Kinoshita and Fumio Hirata",
year = "1999",
month = "5",
day = "21",
doi = "10.1016/S0009-2614(99)00372-3",
language = "English",
volume = "305",
pages = "251--257",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "3-4",

}

TY - JOUR

T1 - Free energy profiles of electron transfer at water-electrode interface studied by the reference interaction site model theory

AU - Akiyama, Ryo

AU - Kinoshita, Masahiro

AU - Hirata, Fumio

PY - 1999/5/21

Y1 - 1999/5/21

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0001618413&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001618413&partnerID=8YFLogxK

U2 - 10.1016/S0009-2614(99)00372-3

DO - 10.1016/S0009-2614(99)00372-3

M3 - Article

AN - SCOPUS:0001618413

VL - 305

SP - 251

EP - 257

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 3-4

ER -