Dissociation of ammonia on a copper surface and the effect of oxygen coadsorption: a quantum-chemical study
β Scribed by G.J.C.S. van de Kerkhof; W. Biemolt; A.P.J. Jansen; R.A. van Santen
- Publisher
- Elsevier Science
- Year
- 1993
- Weight
- 71 KB
- Volume
- 284
- Category
- Article
- ISSN
- 0167-2584
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The chemisorption of atomic hydrogen and oxygen on a cobalt surface has been studied on a five-atom cluster model using one-electron effective core potential ( l e -E c p ) and all-electron calculations at the ab initio SCF and MCPF levels. Also, density functional calculations have been carried out
## Abstract The O 1s line of an ordinary, untreated glass surface and of a glass surface in its dealkalized state were studied by XPS. One single O 1s peak was detected on the dealkalized sample at a binding energy (BE) of 532.5 eV while on the alkaliβcontaining sample, and also on the dealkalized