Icosahedral crown gold nanocluster AU43Cu12 with high catalytic activity

Yi Gao, Nan Shao, Yong Pei, Xiao Cheng Zeng

Research output: Contribution to journalArticle

90 Citations (Scopus)

Abstract

Structural and catalytic properties of the gold alloy nanocluster Au 43Cu12: ; are investigated using a density-functional method. In contrast to the pure Au55 nanocluster, which exhibits a low-symmetry C1 structure, the 55-atom "crown gold" nanocluster exhibits a multishell structure, denoted by Au@Cu 12@Au42. with the highest icosahedral group-symmetry. In addition, density functional calculations suggest that this geometric magic-number nanocluster possesses comparable catalytic capability as a small-sized Au10 cluster for the CO oxidation, due in part to their low-coordinated Au atoms on Vertexes. The gold alloy nanocluster also shows higher selectivity for styrene oxidation than the bare Au(111) surface.

Original languageEnglish (US)
Pages (from-to)1055-1062
Number of pages8
JournalNano Letters
Volume10
Issue number3
DOIs
StatePublished - Mar 10 2010

Fingerprint

Nanoclusters
nanoclusters
Gold
catalytic activity
Catalyst activity
gold
Gold Alloys
Gold alloys
gold alloys
Atoms
Oxidation
oxidation
Styrene
symmetry
Carbon Monoxide
styrenes
Density functional theory
atoms
apexes
selectivity

Keywords

  • Crown gold
  • Density-functional theory
  • Gold catalysis
  • Magic-number cluster
  • Selectivity

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

Cite this

Icosahedral crown gold nanocluster AU43Cu12 with high catalytic activity. / Gao, Yi; Shao, Nan; Pei, Yong; Zeng, Xiao Cheng.

In: Nano Letters, Vol. 10, No. 3, 10.03.2010, p. 1055-1062.

Research output: Contribution to journalArticle

Gao, Yi ; Shao, Nan ; Pei, Yong ; Zeng, Xiao Cheng. / Icosahedral crown gold nanocluster AU43Cu12 with high catalytic activity. In: Nano Letters. 2010 ; Vol. 10, No. 3. pp. 1055-1062.
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