Quantitative determination of molecular adsorption structures using photoelectron diffraction: The methoxy species

被引:20
|
作者
Schaff, O
Hess, G
Fernandez, V
Schindler, KM
Theobald, A
Hofmann, P
Bradshaw, AM
Fritzsche, V
Davis, R
Woodruff, DP
机构
[1] UNIV WARWICK,DEPT PHYS,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND
[2] TECH UNIV DRESDEN,INST THEORET PHYS,D-01062 DRESDEN,GERMANY
[3] MAX PLANCK GESELL,FRITZ HABER INST,D-14195 BERLIN,GERMANY
关键词
Cu(111); methoxy species; Ni(111); photoelectron diffraction;
D O I
10.1016/0368-2048(95)02390-9
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
Photoelectron diffraction in the scanned-energy mode is now an accepted method in surface structural analysis. Here we demonstrate its use in the determination of the local adsorption geometry of the methoxy species CH3O- on a Ni(111) surface. The bonding site of the O atom at an ''fcc'' hollow site directly above a Ni atom in the third layer is obtained from the experimental data using direct methods, and the exact Ni-O spacing and degree of local substrate distortion, together with the molecular orientation, are found by the use of multiple scattering simulations. A re-analysis of earlier data obtained for the same species on Cu(111) confirms the results of this earlier study and has allowed an evaluation of possible subtle differences in the adsorbate-induced substrate distortion despite the occupation of the same adsorption site and very similar O-metal nearest neighbour distances.
引用
收藏
页码:117 / 128
页数:12
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