A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic gold clusters

X. Wu, L. Senapati, S. K. Nayak, Annabella Selloni, M. Hajaligol

Research output: Contribution to journalArticle

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Abstract

The adsorption of carbon monoxide on small cationic, neutral and anionic gold clusters was studied by using density functional theory. The adsorption energies of the anions was found to increase with cluster size and reached a maximum level at Au5CO-. The results showed that the differences in adsorption energies for the different charge states decreased with increasing cluster size.

Original languageEnglish (US)
Pages (from-to)4010-4015
Number of pages6
JournalJournal of Chemical Physics
Volume117
Issue number8
DOIs
StatePublished - Aug 22 2002

All Science Journal Classification (ASJC) codes

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

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