A revisit to electronic structures of cobalt-doped silver cluster anions by size-dependent reactivity measurement

Kento Minamikawa, Masashi Arakawa, Kensuke Tono, Akira Terasaki

Research output: Contribution to journalArticle

Abstract

Reactivity of AgNCo (N = 4–14) is examined against oxygen to characterize their electronic structures. Localized Co 3d is suggested for N ≤ 11 due to their high reactivity. This result, in particular for Ag8Co, is in contrast to our previous study based on photoelectron spectroscopy (Tono et al., 2007); Ag8Co was reported to form an 18-electron closed shell via s–d interaction with delocalized 3d, which suggests low reactivity. The present updated DFT analysis provides revised understandings of AgNCo clusters, explaining both reactivity and photoelectron spectra consistently.

Original languageEnglish
Article number137613
JournalChemical Physics Letters
Volume753
DOIs
Publication statusPublished - Aug 16 2020

All Science Journal Classification (ASJC) codes

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

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