Interactions between molecular wires and a gold surface

被引：68

作者：

Johansson, Å ^{[1
]}

Stafström, S ^{[1
]}

机构：

[1] Linkoping Univ, IFM, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 322卷 / 05期

基金：

瑞典研究理事会;

关键词：

D O I：

10.1016/S0009-2614(00)00468-1

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 thiol group attaches strongly to gold surfaces and can thus be used as interconnects of molecular wires in nano electronics. A phenyl molecule attached to gold via a thiol group has been investigated by ab initio Hartree-Fock calculations in order to understand electronic transport through the sulfur-gold bridge. In our analysis of the coupling between gold and the molecule, we found that the electronic system of the gold substrate interacts directly with the conducting states of the molecule and thus forms an ohmic contact to the molecular wire. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：301 / 306

页数：6

共 8 条

[1] Are single molecular wires conducting? [J].

Bumm, LA ;

Arnold, JJ ;

Cygan, MT ;

Dunbar, TD ;

Burgin, TP ;

Jones, L ;

Allara, DL ;

Tour, JM ;

Weiss, PS .

SCIENCE, 1996, 271 (5256) :1705-1707

[2] SELF-ASSEMBLY OF N-ALKYL THIOLS AS DISULFIDES ON AU(111) [J].

FENTER, P ;

EBERHARDT, A ;

EISENBERGER, P .

SCIENCE, 1994, 266 (5188) :1216-1218

[3]

Frisch M.J., 2016, Gaussian 16 Revision C. 01. 2016, V16, P01

[4]

HAY PJ, 1985, J CHEM PHYS, V82, P299, DOI [10.1063/1.448800, 10.1063/1.448799]

[5]

KROHN J, 1998, THESIS LINKOPING U S

[6]

ONIPKO A, COMMUNICATION

[7] Conductance of a molecular junction [J].

Reed, MA ;

Zhou, C ;

Muller, CJ ;

Burgin, TP ;

Tour, JM .

SCIENCE, 1997, 278 (5336) :252-254

[8] STRUCTURE AND BINDING OF ALKANETHIOLATES ON GOLD AND SILVER SURFACES - IMPLICATIONS FOR SELF-ASSEMBLED MONOLAYERS [J].

SELLERS, H ;

ULMAN, A ;

SHNIDMAN, Y ;

EILERS, JE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (21) :9389-9401

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