Water formation reaction on Pt(111): Role of the proton transfer

Masanari Nagasaka, Hiroshi Kondoh, Toshiaki Ohta

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The catalytic water formation reaction on Pt(111) was investigated by kinetic Monte Carlo simulations, where the interaction energy between reaction species and the high mobility of H2 O molecule was considered. Results obtained clearly reproduce the scanning tunneling microscopy images which show that the reaction proceeds via traveling the reaction fronts on the O-covered Pt(111) surface by creating H2 O islands backwards. The reaction front is a mixed layer of OH and H2 O with a (3×3) R30° structure. Coverage change during the reaction is also reproduced in which the reaction consists of three characteristic processes, as observed by the previous experiments. The simulation also revealed that the proton transfer from H2 O to OH plays an important role to propagate the water formation.

Original languageEnglish
Article number204704
JournalJournal of Chemical Physics
Volume122
Issue number20
DOIs
Publication statusPublished - 2005 May 22
Externally publishedYes

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Proton transfer
protons
Water
Scanning tunneling microscopy
water
Molecules
Kinetics
Experiments
scanning tunneling microscopy
simulation
kinetics
Monte Carlo simulation
molecules

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Water formation reaction on Pt(111) : Role of the proton transfer. / Nagasaka, Masanari; Kondoh, Hiroshi; Ohta, Toshiaki.

In: Journal of Chemical Physics, Vol. 122, No. 20, 204704, 22.05.2005.

Research output: Contribution to journalArticle

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