Exchangelike effects for closed-shell adsorbates:: Interface dipole and work function -: art. no. 096104

被引：325

作者：

Bagus, PS ^{[1
]}

Staemmler, V

Wöll, C

机构：

[1] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA

[2] Ruhr Univ Bochum, Lehrstuhl Theoret Chem, D-44780 Bochum, Germany

[3] Ruhr Univ Bochum, Lehrstuhl Phys Chem 1, D-44780 Bochum, Germany

来源：

PHYSICAL REVIEW LETTERS | 2002年 / 89卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.89.096104

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Based on detailed theoretical analyses, we present, for the first time, direct evidence that the significant interface dipole commonly observed for atoms and molecules physisorbed on metal surfaces originates from exchangelike effects. In the case of Xe, previously proposed contributions from chemical interactions do not play a significant role.

引用

收藏

页码：961041 / 961044

页数：4

相关论文

共 34 条

[1] BOND IONICITY OF THE HALOGEN SILVER INTERACTION [J].

BAGUS, PS ;

PACCHIONI, G ;

PHILPOTT, MR .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (08) :4287-4295

[2] DECOMPOSITION OF THE CHEMISORPTION BOND BY CONSTRAINED VARIATIONS - ORDER OF THE VARIATIONS AND CONSTRUCTION OF THE VARIATIONAL SPACES [J].

BAGUS, PS ;

ILLAS, F .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (12) :8962-8970

[3] A NEW ANALYSIS OF CHARGE-TRANSFER AND POLARIZATION FOR LIGAND-METAL BONDING - MODEL STUDIES OF AL4CO AND AL4NH3 [J].

BAGUS, PS ;

HERMANN, K ;

BAUSCHLICHER, CW .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :4378-4386

[4] The interaction of rare gases with transition metal surfaces [J].

Bertel, E .

SURFACE SCIENCE, 1996, 367 (02) :L61-L65

[5] Comment on "Effect of the structural anisotropy and lateral strain on the surface phonons of monolayer xenon on Cu(110)" -: art. no. 037401 [J].

Boas, C ;

Becker, T ;

Kunat, M ;

Burghaus, U ;

Wöll, C .

PHYSICAL REVIEW B, 2001, 64 (03)

[6] Observation of a zone-center gap in the longitudinal mode of an adsorbate overlayer: Xenon on Cu(111) [J].

Braun, J ;

Fuhrmann, D ;

Siber, A ;

Gumhalter, B ;

Woll, C .

PHYSICAL REVIEW LETTERS, 1998, 80 (01) :125-128

[7]

BRUCH LW, 1997, PHYSICAL ADSORPTION

[8] DEPENDENCE OF RARE-GAS-ADSORBATE DIPOLE-MOMENT ON SUBSTRATE WORK FUNCTION [J].

CHEN, YC ;

CUNNINGHAM, JE ;

FLYNN, CP .

PHYSICAL REVIEW B, 1984, 30 (12) :7317-7319

[9]

Fosser KA, 2002, ANGEW CHEM INT EDIT, V41, P1735, DOI 10.1002/1521-3773(20020517)41:10<1735::AID-ANIE1735>3.0.CO

[10]

2-G

← 1 2 3 4 →