Skin-resolved local bond contraction, core electron entrapment, and valence charge polarization of Ag and Cu nanoclusters

Shideh Ahmadi, Xi Zhang, Yinyan Gong, Chin Hua Chia, Chang Q. Sun

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Consistency between density functional theory (DFT) calculations and experimental observations confirmed our predictions on the behaviour of local bonds, and the electron binding energy of cuboctahedral and Marks decahedral structures of Ag and Cu nanoclusters. The shorter and stronger bonds between under-coordinated atoms cause local densification and quantum entrapment of the core electrons, which polarize the otherwise conducting electrons (valence electrons). Such strong localization may result in extraordinary catalytic and plasmonic properties in Ag and Cu nanoclusters. This journal is

Original languageEnglish
Pages (from-to)8940-8948
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume16
Issue number19
DOIs
Publication statusPublished - 21 May 2014

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entrapment
Nanoclusters
nanoclusters
contraction
Skin
Polarization
valence
Electrons
polarization
electrons
densification
Binding energy
Densification
Density functional theory
binding energy
density functional theory
conduction
Atoms
causes
predictions

ASJC Scopus subject areas

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

Cite this

Skin-resolved local bond contraction, core electron entrapment, and valence charge polarization of Ag and Cu nanoclusters. / Ahmadi, Shideh; Zhang, Xi; Gong, Yinyan; Chia, Chin Hua; Sun, Chang Q.

In: Physical Chemistry Chemical Physics, Vol. 16, No. 19, 21.05.2014, p. 8940-8948.

Research output: Contribution to journalArticle

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