UNDERSTANDING THE TRENDS IN THE HYDRODESULFURIZATION ACTIVITY OF THE TRANSITIN METAL SULFIDES

被引：148

作者：

NORSKOV, JK ^{[1
]}

CLAUSEN, BS ^{[1
]}

TOPSOE, H ^{[1
]}

机构：

[1] HALDOR TOPSOE RES LABS,DK-2800 LYNGBY,DENMARK

来源：

CATALYSIS LETTERS | 1992年 / 13卷 / 1-2期

关键词：

HYDRODESULFURIZATION; TRANSITION METAL SULFIDES; TRENDS ACROSS THE PERIODIC TABLE; MODEL CALCULATIONS;

D O I：

10.1007/BF00770941

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：

It is shown that the trends in the hydrodesulfurization activity of the transition metal sulfides can be understood from the variation in the binding energy of sulfur to the transition metals. A model based on the ab initio calculations of Gelatt, Moruzzi, and Williams is used to describe the binding energy trends and to single out the important parameters determining them. One important aspect of the model is, that it predicts that the trends in the catalytic activity are given to a large extend by the coupling between the sulfur chemisorption energy and the sulfur-induced distortions of the metal lattice. The simple model also appears to describe promotional effects.

引用

页码：1 / 8

页数：8

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