Coverage-dependent changes in the adsorption geometry of benzene on Ni{111}

被引：61

作者：

Schaff, O

Fernandez, V

Hofmann, P

Schindler, KM

Theobald, A

Fritzsche, V

Bradshaw, AM

Davis, R

Woodruff, DP

机构：

[1] MAX PLANCK GESELL,FRITZ HABER INST,D-14195 BERLIN,GERMANY

[2] UNIV WARWICK,DEPT PHYS,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND

来源：

SURFACE SCIENCE | 1996年 / 348卷 / 1-2期

基金：

英国工程与自然科学研究理事会;

关键词：

chemisorption; low index single crystal surfaces; nickel; photoelectron diffraction; soft X-ray photoelectron spectroscopy;

D O I：

10.1016/0039-6028(95)01078-5

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：

Photoelectron diffraction in the scanned energy mode has been used to determine the structure of benzene adsorbed on to an Ni{111} surface. In the disordered phase at low coverage the molecule is centered over a bridge site with the C-C bonds oriented in the [211] directions, but in the ordered overlayer at saturation coverage the hcp threefold symmetric hollow site is occupied with the C-C bonds oriented in the [110] directions. The molecular planes are situated 1.92(+/-0.05) Angstrom and 1.91(+/-0.04) Angstrom, respectively, above the Ni atoms which form each adsorption site. There is no significant distortion of the benzene ring. The results are compared with photoemission measurements and quantum chemical calculations.

引用

页码：89 / 99

页数：11

共 37 条

[1] STRUCTURE AND ELECTRONIC FACTORS IN BENZENE COORDINATION TO CR(CO)3 AND TO CLUSTER-MODELS OF NI, PT, AND AG(111) SURFACES [J].