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
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
收藏
页码:74 / 84
页数:11
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