THE GEOMETRIC STRUCTURE OF THE SURFACE METHOXY SPECIES ON CU(111)

被引：86

作者：

HOFMANN, P

SCHINDLER, KM

BAO, S

FRITZSCHE, V

RICKEN, DE

BRADSHAW, AM

WOODRUFF, DP

机构：

[1] MAX PLANCK GESELLS,FRITZ HABER INST,FARADAYWEG 4-6,D-14195 BERLIN,GERMANY

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

来源：

SURFACE SCIENCE | 1994年 / 304卷 / 1-2期

关键词：

D O I：

10.1016/0039-6028(94)90754-4

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 adsorption geometry of the surface methoxy species (-OCH3) on Cu(111) has been determined quantitatively using scanned energy mode photoelectron diffraction in a two-step approach. First, using direct methods it was established that the fragment adsorbs via the oxygen atom at the ''fcc'' three-fold adsorption site. Subsequently, the structural parameters were refined by a search in multi-parameter space using diffraction spectra obtained in different emission geometries. The oxygen atom is found to be situated 1.32(+/-0.05) angstrom above the three nearest-neighbour copper atoms with the O-C axis essentially perpendicular to the surface. The O-C distance is 1.42(-0.03/+0.10) angstrom; a relaxation as well as a rumple of the outermost Cu layer occur.

引用

页码：74 / 84

页数：11