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

Masanari Nagasaka, Hiroshi Kondoh, Toshiaki Ohta

研究成果: Article査読

13 被引用数 (Scopus)

抄録

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.

本文言語English
論文番号204704
ジャーナルJournal of Chemical Physics
122
20
DOI
出版ステータスPublished - 2005 5 22
外部発表はい

ASJC Scopus subject areas

  • 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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