Polymerization at the alkylthiolate-Au(111) interface

被引：73

作者：

Gronbeck, Henrik ^{[1
]}

Hakkinen, Hannu

机构：

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

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

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

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2007年 / 111卷 / 13期

关键词：

D O I：

10.1021/jp0700128

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：

The density functional theory is used to explore alkylthiolates (RS) bonded to Au(111) and gold adatoms on Au(111). Adsorption of RS to adatoms in a structure characterized as an (RSAu)(x) polymer is strongly preferred over terrace adsorption. The energetic gain upon polymerization is large enough to drive the required Au(111) reconstruction. The results are discussed in relation to thiolate protected gold nanoparticles and homoleptic gold- thiolate complexes.

引用

页码：3325 / 3327

页数：3

共 28 条

[1] A density functional study on the adsorption of methanethiolate on the (111) surfaces of noble metals [J].

Akinaga, Y ;

Nakajima, T ;

Hirao, K .

JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (19) :8555-8564

[2] SYNTHESIS AND CHARACTERIZATION OF GOLD(I) THIOLATES, SELENOLATES, AND TELLUROLATES - X-RAY CRYSTAL-STRUCTURES OF AU4[TEC(SIME3)3]4, AU4[SC(SIME3)3]4, AND PH3PAU[TEC(SIME3)3] [J].

BONASIA, PJ ;

GINDELBERGER, DE ;

ARNOLD, J .

INORGANIC CHEMISTRY, 1993, 32 (23) :5126-5131

[3] SUPERLATTICE STRUCTURE AT THE SURFACE OF A MONOLAYER OF OCTADECANETHIOL SELF-ASSEMBLED ON AU(111) [J].

CAMILLONE, N ;

CHIDSEY, CED ;

LIU, GY ;

SCOLES, G .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (04) :3503-3511

[4] MOLECULAR ORDER AT THE SURFACE OF AN ORGANIC MONOLAYER STUDIED BY LOW-ENERGY HELIUM DIFFRACTION [J].

CHIDSEY, CED ;

LIU, GY ;

ROWNTREE, P ;

SCOLES, G .

JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (07) :4421-4423

[5] Density functional theory study of the adsorption of alkanethiols on Cu(111), Ag(111), and Au(111) in the low and high coverage regimes [J].

Cometto, FP ;

Paredes-Olivera, P ;

Macagno, VA ;

Patrito, EM .

JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (46) :21737-21748

[6] THE STRUCTURAL CHEMISTRY OF METAL THIOLATE COMPLEXES [J].

DANCE, IG .

POLYHEDRON, 1986, 5 (05) :1037-1104

[7] On the structure and evolution of the buried S/Au interface in self-assembled monolayers: X-ray standing wave results [J].

Fenter, P ;

Schreiber, F ;

Berman, L ;

Scoles, G ;

Eisenberger, P ;

Bedzyk, MJ .

SURFACE SCIENCE, 1998, 412-13 :213-235

[8] A density functional theory study of the adsorption of sulfur, mercapto, and methylthiolate on Au(111) [J].

Gottschalck, J ;

Hammer, B .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (02) :784-790

[9] Thiols and disulfides on the Au(111) surface:: The headgroup-gold interaction [J].

Grönbeck, H ;

Curioni, A ;

Andreoni, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (16) :3839-3842

[10] Theoretical characterization of cyclic thiolated gold clusters [J].

Gronbeck, Henrik ;

Walter, Michael ;

Hakkinen, Hannu .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (31) :10268-10275

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