A periodic density functional theory study of the dehydrogenation of methanol over CuCl(1 1 1) surface
- Author
- XIA WANG1 ; CHEN, Wen-Kai1 ; LU, Chun-Hai2
[1] Department of Chemistry, Fuzhou University, Minhou, Fuzhou, Fujian 350108, China
[2] China Academy of Engineering Physics, Mianyang 621900, China - Source
Applied surface science. 2008, Vol 254, Num 15, pp 4421-4431, 11 p ; ref : 44 ref
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- Adsorption CuCl(1 1 1) surface Density functional theory Methanol
- Keyword (fr)
- Barrière énergie Chimisorption Chlorure de cuivre Composé organique Degré recouvrement Déshydrogénation Méthanol Méthode fonctionnelle densité Structure adsorption Structure surface Cl Cu CuCl
- Keyword (en)
- Energy barrier Chemisorption Copper chloride Organic compounds Coverage rate Dehydrogenation Methanol Density functional method Adsorption structure Surface structure
- Keyword (es)
- Barrera energía Cobre cloruro Grado recubrimiento Estructura adsorción
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60H Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) / 001B60H35 Solid surfaces and solid-solid interfaces
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A15 Methods of electronic structure calculations
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 20359202
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1016/j.apsusc.2008.01.001 
https://dx.doi.org/10.1016/j.apsusc.2008.01.001
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