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The orbital interaction of adsorbed CO on NiO (001;111) surface : A periodic density functional theory study

Author
WENFENG WANG1 ; JUNQIAN LI2 ; YONGFAN ZHANG1
[1] State Key Laboratory of Structural Chemistry, Fuzhou 350002, China
[2] Department of Chemistry, Fuzhou University, Fuzhou, Fujian 350002, China
Source

Applied surface science. 2006, Vol 252, Num 8, pp 2673-2683, 11 p ; ref : 24 ref

ISSN
0169-4332
Scientific domain
General chemistry, physical chemistry; Crystallography; Nanotechnologies, nanostructures, nanoobjects; Condensed state physics
Publisher
Elsevier Science, Amsterdam
Publication country
Netherlands
Document type
Article
Language
English
Author keyword
Orbital interaction: DOS analysis Periodic DFT method
Keyword (fr)
Coadsorption Composé minéral Densité état Métal transition composé Méthode fonctionnelle densité Nickel oxyde Ni O NiO
Keyword (en)
Coadsorption Inorganic compounds Density of states Transition element compounds Density functional method Nickel oxides
Keyword (es)
Coadsorción Densidad estado
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties

Pascal
001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties

Pascal
001 Exact sciences and technology / 001B Physics / 001B80 Cross-disciplinary physics: materials science; rheology

Discipline
Physics and materials science 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
17514177

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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