The oxidation of ammonia by copper

W. Biemolt, A.P.J. Jansen, M. Neurock, G.J.C.S. Kerkhof, van de, R.A. Santen, van

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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
Original languageEnglish
Pages (from-to)183-187
JournalSurface Science
Issue number1
Publication statusPublished - 1993


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