Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60

被引：377

作者：

Lopez-Acevedo, Olga ^{[1
]}

Akola, Jaakko ^{[1
]}

Whetten, Robert L. ^{[2
]}

Gronbeck, Henrik ^{[3
,4
]}

Hakkinen, Hannu ^{[1
,5
]}

机构：

[1] Univ Jyvaskyla, Dept Phys, Nanosci Ctr, FI-40014 Jyvaskyla, Finland

[2] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[3] Chalmers Univ Technol, Competence Ctr Catalysis, SE-41296 Gothenburg, Sweden

[4] Chalmers Univ Technol, Dept Appl Phys, SE-41296 Gothenburg, Sweden

[5] Univ Jyvaskyla, Dept Chem, Nanosci Ctr, FI-40014 Jyvaskyla, Finland

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2009年 / 113卷 / 13期

基金：

瑞典研究理事会; 芬兰科学院; 美国国家科学基金会;

关键词：

CRYSTAL-STRUCTURE; NANOELECTRODES; NANOPARTICLES; SIZE;

D O I：

10.1021/jp8115098

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Density-functional theory computations on a cluster Au-144(SR)(60) with an icosahedral Au-114 core with 30 RS-Au-SR units protecting its surface yield an excellent fit of the structure factor to the experimental X-ray scattering structure factor measured earlier for 29 kDa thiolate-protected gold clusters. This cluster has a special combination of atomic and electronic structure that provides explanations for the observed stability and capacitive charging properties with several available oxidation states in electrochemistry and optical absorption extending well into the infrared region.

引用

页码：5035 / 5038

页数：4

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