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

Masanari Nagasaka, Hiroshi Kondoh, Toshiaki Ohta

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15 Citations (Scopus)


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
Issue number20
Publication statusPublished - 2005 May 22
Externally publishedYes

ASJC Scopus subject areas

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


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