Intermixed Adatom and Surface-Bound Adsorbates in Regular Self-Assembled Monolayers of Racemic 2-Butanethiol on Au(111)

被引：16

作者：

Ouyang, Runhai ^{[1
]}

Yan, Jiawei ^{[2
,3
,4
]}

Jensen, Palle S. ^{[2
]}

Ascic, Erhad ^{[2
]}

Gan, Shiyu ^{[2
,5
,6
]}

Tanner, David ^{[2
]}

Mao, Bingwei ^{[3
,4
]}

Niu, Li ^{[5
,6
]}

Zhang, Jingdong ^{[2
]}

Tang, Chunguang ^{[1
]}

Hush, Noel S. ^{[1
,7
]}

Reimers, Jeffrey R. ^{[8
,9
]}

Ulstrup, Jens ^{[2
]}

机构：

[1] Univ Sydney, Sch Chem F11, Sydney, NSW 2006, Australia

[2] Tech Univ Denmark, Dept Chem, DK-2800 Lyngby, Denmark

[3] Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Fujian, Peoples R China

[4] Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, Xiamen 361005, Fujian, Peoples R China

[5] Chinese Acad Sci, State Key Lab Electroanalyt Chem, Engn Lab Modern Analyt Tech, Changchun Inst Appl Chem, Changchun 130022, Peoples R China

[6] Univ Chinese Acad Sci, Beijing 100049, Peoples R China

[7] Univ Sydney, Sch Mol Biosci, Sydney, NSW 2006, Australia

[8] Shanghai Univ, Int Ctr Quantum & Mol Struct, Coll Sci, Shanghai 200444, Peoples R China

[9] Univ Technol Sydney, Sch Phys & Adv Mat, Sydney, NSW 2007, Australia

来源：

CHEMPHYSCHEM | 2015年 / 16卷 / 05期

基金：

澳大利亚研究理事会;

关键词：

density functional theory; dispersion; scanning tunneling microscopy; steric effects; thiolate; C(4 X-2) STRUCTURE; GOLD CLUSTERS; METHYLTHIOLATE; PHOTOEMISSION; COVERAGE; ALKANETHIOLS; ADSORPTION; INTERFACE; FORM;

D O I：

10.1002/cphc.201402904

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：

In situ scanning tunneling microscopy combined with density functional theory molecular dynamics simulations reveal a complex structure for the self-assembled monolayer (SAM) of racemic 2-butanethiol on Au(111) in aqueous solution. Six adsorbate molecules occupy a (10x3)R30 degrees cell organized as two RSAuSR adatom-bound motifs plus two RS species bound directly to face-centered-cubic and hexagonally close-packed sites. This is the first time that these competing head-group arrangements have been observed in the same ordered SAM. Such unusual packing is favored as it facilitates SAMs with anomalously high coverage (30%), much larger than that for enantiomerically resolved 2-butanethiol or secondary-branched butanethiol (25%) and near that for linear-chain 1-butanethiol (33%).

引用

页码：928 / 932

页数：5

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