The adsorption of aromatics on sp-metals: benzene on Al(111)

被引：58

作者：

Duschek, R

Mittendorfer, F

Blyth, RIR

Netzer, FP ^{[1
]}

Hafner, J

Ramsey, MG

机构：

[1] Karl Franzens Univ Graz, Inst Expt Phys, A-8010 Graz, Austria

[2] Univ Vienna, Inst Mat Phys, A-1090 Vienna, Austria

[3] Univ Vienna, Ctr Computat Mat Sci, A-1090 Vienna, Austria

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 318卷 / 1-3期

基金：

奥地利科学基金会;

关键词：

D O I：

10.1016/S0009-2614(99)01457-8

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：

We have studied the adsorption of benzene on Al(111) using angle-resolved ultraviolet photoelectron. high-resolution electron energy loss, and thermal desorption spectroscopies (ARUPS, HREELS, and TDS, respectively), work function measurements, and by density functional theory (DFT) calculations using the ab-initio VASP code. The analysis of ARUPS and HREELS spectra of a benzene monolayer unambiguously indicate C-6v symmetry and a weak benzene-Al interaction in an adsorption geometry with the ring plane parallel to the surface. The weak interaction is confirmed by TDS. The DFT calculations indicate an electrostatic bond and yield an average benzene-Al(111) distance of 3.7 Angstrom. A weak minimum of the potential energy is observed at the hollow adsorption position. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：43 / 48

页数：6

共 17 条

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