Au8 cluster adsorption on Si(100):2 x 1 asymmetric surface studied by a first principles calculation

被引：1

作者：

Akturk, Olcay Uzengi ^{[1
]}

Tomak, Mehmet ^{[1
]}

机构：

[1] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey

来源：

THIN SOLID FILMS | 2010年 / 518卷 / 12期

关键词：

First principles; Gold clusters; Si(100)surface; Adsorption; GOLD NANOPARTICLES; CHEMISORPTION; SPECTROSCOPY; DEPOSITION; MOLECULES; DYNAMICS; SI;

D O I：

10.1016/j.tsf.2009.10.159

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In this work, we investigate the adsorption of Au-8 cluster onto H-terminated Si(100):2 x 1 asymmetric surface by density functional theory within local density and generalized gradient approximations. We study the site-dependent shape of Au-8 cluster, adsorption energies, band structures and the corresponding charge distribution. We show that the electronic properties of the cluster and substrate complex change with the location of the cluster on the surface. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：3234 / 3239

页数：6

共 50 条

[1] ''Coulomb staircase'' at room temperature in a self-assembled molecular nanostructure [J].

Andres, RP ;

Bein, T ;

Dorogi, M ;

Feng, S ;

Henderson, JI ;

Kubiak, CP ;

Mahoney, W ;

Osifchin, RG ;

Reifenberger, R .

SCIENCE, 1996, 272 (5266) :1323-1325

[2] Optical emission from small Si particles [J].

Baierle, RJ ;

Caldas, MJ ;

Molinari, E ;

Ossicini, S .

SOLID STATE COMMUNICATIONS, 1997, 102 (07) :545-549

[3]

BETHEL D, 1996, NATURE, V581, P382

[4] Chemisorption of 4-(4-amino-phenylazo) benzoic acid molecule on the Si(001)-(4 x 2) surface [J].

Birlik, G. ;

Demirel, G. ;

Cakmak, M. ;

Caykara, T. .

SURFACE SCIENCE, 2007, 601 (18) :3760-3764

[5] Ab initio study of small gold clusters [J].

Bravo-Pérez, G ;

Garzón, IL ;

Novaro, O .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 493 :225-231

[6]

BRILLSON LJ, 1993, CONTACTS SEMICONDUCT, P245

[7] Density-functional study of the cycloaddition of acrylonitrile on the Si(100) surface [J].

Cobian, M ;

Ilakovac, V ;

Carniato, S ;

Capron, N ;

Boureau, G ;

Hirschl, R ;

Hafner, J .

JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (20) :9793-9799

[8]

Cohen S., 1986, VLSI Electronics Microstructure Science, V13

[9] Chemisorption of barrelene on Si(100) from first principles calculations [J].

Costanzo, F ;

Silvestrelli, PL ;

Ancilotto, F .

JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (02) :819-824

[10] CONFINEMENT OF ELECTRONS TO QUANTUM CORRALS ON A METAL-SURFACE [J].

CROMMIE, MF ;

LUTZ, CP ;

EIGLER, DM .

SCIENCE, 1993, 262 (5131) :218-220

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