論文

査読有り
2018年

Global reaction route mapping for surface adsorbed molecules: A case study for h2O on Cu(111) surface

Chemistry Letters
  • Satoshi Maeda
  • ,
  • Kanami Sugiyama
  • ,
  • Yosuke Sumiya
  • ,
  • Makito Takagi
  • ,
  • Kenichiro Saita

47
4
開始ページ
396
終了ページ
399
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1246/cl.171194
出版者・発行元
Chemical Society of Japan

In this study, artificial force induced reaction (AFIR) method, which has been utilized extensively in molecular systems, was applied to surface adsorbed species. A systematic strategy for obtaining path networks for surface adsorbed species is described for future applications to various surface reactions. As a case study, global reaction route mapping on the potential energy surface (PES) of H2O adsorbed on Cu(111) surface was performed.

リンク情報
DOI
https://doi.org/10.1246/cl.171194
ID情報
  • DOI : 10.1246/cl.171194
  • ISSN : 1348-0715
  • ISSN : 0366-7022
  • SCOPUS ID : 85044262018

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