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

Satoshi Maeda, Kanami Sugiyama, Yosuke Sumiya, Makito Takagi, Kenichiro Saita

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)396-399
Number of pages4
JournalChemistry Letters
Volume47
Issue number4
DOIs
Publication statusPublished - 2018
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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