NMR OF PLATINUM CATALYSTS - A TIGHT-BINDING MODEL FOR KNIGHT-SHIFT AND LINE-SHAPE

被引:2
作者
BIFONE, A
机构
[1] Scuola Normale Superiore
关键词
D O I
10.1016/0038-1098(93)90690-O
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
A tight-binding approach to the calculation of the local DOS in Platinum metal catalysts is reported. The model takes into account both size and boundary conditions effects. The spatial variation of the Knight-shift inside the clusters and the key features of the NMR spectra for clean and hydrogen covered particles are accounted for. Theoretical results successfully reproduce the narrowing of the experimental spectra after adsorption.
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页码:409 / 414
页数:6
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