THEORETICAL INVESTIGATION OF ETHYLENE ADSORBED ON NI(100) SURFACE BY THE MULTIPLE-SCATTERING CLUSTER METHOD

被引：4
|
作者：
FENG, XS
TANG, JC
机构：
[1] Physics Department, Zhejiang University, Hangzhou
来源：
CATALYSIS LETTERS | 1993年 / 20卷 / 1-2期
关键词：
MULTIPLE-SCATTERING; X-RAY ABSORPTION FINE STRUCTURE; C2H4/NI(100);
D O I：
10.1007/BF00772606
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：
In this paper the carbon K-edge near edge X-ray absorption fine structure spectra (NEXAFS) of adsorption system C2H4/Ni(100) are calculated using the multiple-scattering cluster method. By a comparison between the theoretical results and experimental spectra, the chemisorption geometry of this system has been determined. The result shows that the molecule is adsorbed on the perpendicular bridge site, and the distance between the C atom and the nearest Ni atom is 1.70 angstrom, while the molecular plane tilting to the surface is 50-degrees. It is found that the interaction between hydrogen atom and Ni substrate plays an important role in the formation of the adsorption structure. The above results are supported by other evidences.
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页码：141 / 148
页数：8
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