Roles of surface and subsurface oxygen in the dehydrogenation of methanol on silver surface

Authors
Sun, Q Shen, BR Fan, KN Deng, J
Citation
Q. Sun et al., Roles of surface and subsurface oxygen in the dehydrogenation of methanol on silver surface, CHEM P LETT, 322(1-2), 2000, pp. 1-8
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
322
Issue
1-2
Year of publication
2000
Pages
1 - 8
Database
ISI
SICI code
0009-2614(20000512)322:1-2<1:ROSASO>2.0.ZU;2-#
Abstract
The adsorption and dissociation of methanol on an oxygen-modified silver su rface have been studied by means of the ab initio method based on density f unctional theory and cluster models. The roles of surface and subsurface ox ygen in adsorption and dissociation of methanol were investigated. A new pa thway for formation of H-2 is suggested. (C) 2000 Elsevier Science B.V. All rights reserved.