Group V dimers on Si(001): Can they act as Lewis bases?

被引：2

作者：

Bowler, DR

机构：

[1] NIMS, ICYS, Tsukuba, Ibaraki 3050044, Japan

[2] UCL, Dept Phys & Astron, London WC1E 6BT, England

[3] UCL, Ctr Nanotechnol, London WC1E 6BT, England

来源：

SURFACE SCIENCE | 2005年 / 595卷 / 1-3期

关键词：

density functional calculations; semiconducting surfaces; silicon; bismuth; adsorption; nanostructures;

D O I：

10.1016/j.susc.2005.08.017

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 interaction between BF3, a Lewis acid, and group V dimers on Si(0 0 1) is studied with density functional theory calculations. It is found that there is only a small interaction between the dimers and BF3, and that the lone pairs of the group V dimers are too diffuse and spherical to act as electron donors. (c) 2005 Elsevier B.V. All rights reserved.

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页码：233 / 238

页数：6

相关论文

共 28 条

[1] A SIMPLE MEASURE OF ELECTRON LOCALIZATION IN ATOMIC AND MOLECULAR-SYSTEMS [J].

BECKE, AD ;

EDGECOMBE, KE .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (09) :5397-5403

[2] Atomic-scale nanowires: physical and electronic structure [J].

Bowler, DR .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (24) :R721-R754

[3] EFFECT OF INTERFACE CHEMISTRY ON THE GROWTH OF ZNSE ON THE SI(100) SURFACE [J].

BRINGANS, RD ;

BIEGELSEN, DK ;

SWARTZ, LE ;

PONCE, FA ;

TRAMONTANA, JC .

PHYSICAL REVIEW B, 1992, 45 (23) :13400-13406

[4] Time-dependent electron localization function [J].

Burnus, T ;

Marques, MAL ;

Gross, EKU .

PHYSICAL REVIEW A, 2005, 71 (01)

[5] Scaling of submonolayer island sizes in surfactant-mediated epitaxy of semiconductors -: art. no. 085401 [J].

Cherepanov, V ;

Filimonov, S ;

Myslivecek, J ;

Voigtländer, B .

PHYSICAL REVIEW B, 2004, 70 (08) :085401-1

[6] Rotation of ad-dimers in the initial stages of Bi and Si deposition on the Si(001) surface [J].

Chuasiripattana, K ;

Srivastava, GP .

PHYSICAL REVIEW B, 2005, 71 (15)

[7] Bonding and structure of the Si(001)(2x1)-Sb surface [J].

Jenkins, SJ ;

Srivastava, GP .

SURFACE SCIENCE, 1996, 352 :411-415

[8] COMPARATIVE THEORETICAL-STUDY OF LEWIS ACID-BASE COMPLEXES OF BH3, BF3, BCL3, ALCL3, AND SO2 [J].

JONAS, V ;

FRENKING, G ;

REETZ, MT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (19) :8741-8753

[9] SURFACTANT-MEDIATED CRYSTAL-GROWTH OF SEMICONDUCTORS [J].

KANDEL, D ;

KAXIRAS, E .

PHYSICAL REVIEW LETTERS, 1995, 75 (14) :2742-2745

[10] ARSINE ABSORPTION ON SI(100) 2X1 - A PHOTOEMISSION AND SCANNING-TUNNELING-MICROSCOPY STUDY [J].

KIPP, L ;

BRINGANS, RD ;

BIEGELSEN, DK ;

SWARTZ, LE ;

HICKS, RF .

PHYSICAL REVIEW B, 1994, 50 (08) :5448-5455