Gold-Thiolate Complexes Form a Unique c(4 x 2) Structure on Au(111)

被引：120

作者：

Gronbeck, Henrik ^{[1
,2
]}

Hakkinen, Hannu ^{[3
,4
,5
]}

Whetten, Robert L. ^{[6
]}

机构：

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

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

[3] Univ Jyvaskyla, Dept Phys, FI-40014 Jyvaskyla, Finland

[4] Univ Jyvaskyla, Dept Chem, FI-40014 Jyvaskyla, Finland

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

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2008年 / 112卷 / 41期

基金：

瑞典研究理事会;

关键词：

D O I：

10.1021/jp807196u

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：

On the basis of density functional theory calculations, the structure of alkylthiolates on Au(111) at saturation coverage is presented. A structure that consists of RSAuSR units is energetically preferred over previous suggestions and is consistent with the experimentally observed c(4 x 2) superstructure. Augmented with recent advances concerning the structure of thiolate-protected Au nanoparticles, the present results provide a unified view of thiolate bonding to An surfaces.

引用

页码：15940 / 15942

页数：3

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