THE OXIDATION OF AMMONIA BY COPPER

被引：20

作者：

BIEMOLT, W ^{[1
]}

JANSEN, APJ ^{[1
]}

NEUROCK, M ^{[1
]}

VANDEKERKHOF, GJCS ^{[1
]}

VANSANTEN, RA ^{[1
]}

机构：

[1] EINDHOVEN UNIV TECHNOL,THEORY GRP,5600 MB EINDHOVEN,NETHERLANDS

来源：

SURFACE SCIENCE | 1993年 / 287卷

关键词：

D O I：

10.1016/0039-6028(93)90767-E

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：

We present local spin density approximation calculations on the adsorption and dissociation of ammonia n a copper cluster which models the Cu(111) surface. Preadsorbed oxygen increases the adsorption energy of ammonia, and promotes the dissociation of ammonia. All examined dissociation reactions in the absence of oxygen are endothermic. Dissociation of ammonia to NH2 with oxygen is also found to be endothermic, but less than for systems without oxygen. Subsequent dissociation to NH is thermally neutral, whereas NH dissociation to nitrogen is exothermic. The most endothermic steps in the catalytic reaction cycle of the ammonia oxidation reaction appear to be the dissociation of ammonia and the desorption of water.

引用

页码：183 / 187

页数：5

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