2018年
Global reaction route mapping for surface adsorbed molecules: A case study for h2O on Cu(111) surface
Chemistry Letters
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- ,
- ,
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- 巻
- 47
- 号
- 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
- ID情報
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- DOI : 10.1246/cl.171194
- ISSN : 1348-0715
- ISSN : 0366-7022
- SCOPUS ID : 85044262018