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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 39, 1980 - Issue 6
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Original Articles

The chemisorption of O2 and CO on Pt metal: An SCF-Xα study

B.D. El-Issa Chemistry Department, University of Manchester Institute of Science and Technology, Manchester, M60 1QD, England; Chemistry Department, Bir Zeit University, West Bank
&
A. Hinchliffe Chemistry Department, University of Manchester Institute of Science and Technology, Manchester, M60 1QD, England
Pages 1463-1470 | Received 17 Oct 1979, Published online: 23 Aug 2006
 
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Abstract

The results of SCF-Xα cluster calculations are presented in an attempt to model the chemisorption of O2 and CO on platinum surfaces. In the case of O2 we show that the adsorbed molecular oxygen is partially dissociated whereas adsorbed CO is energetically more stable when adsorbed on a surface site than when adsorbed on a hole site. The latter finding is in agreement with a recent SIMS study.

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