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A Theoretical Study of Water Adsorption and Decomposition on the Low-Index Stoichiometric Anatase TiO2 Surfaces

Author
ZONGYAN ZHAO1 2 ; ZHAOSHENG LI1 3 ; ZHIGANG ZOU1
[1] Ecomaterials and Renewable Energy Research Center (ERERC), National Laboratory of Solid State Microstructures, and Departement of Physics, Nanjing University, Nanjing 210093, China
[2] School of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093, China
[3] Department of Materials Science and Engineering, Nanjing University, Nanjing 210093, China
Source

Journal of physical chemistry. C. 2012, Vol 116, Num 13, pp 7430-7441, 12 p ; ref : 55 ref

ISSN
1932-7447
Scientific domain
General chemistry, physical chemistry; Crystallography; Nanotechnologies, nanostructures, nanoobjects; Condensed state physics
Publisher
American Chemical Society, Columbus, OH
Publication country
United States
Document type
Article
Language
English
Keyword (fr)
Adsorption Anatase Décomposition chimique Energie surface Etude théorique Face cristalline Moment dipolaire Mécanisme réaction Méthode fonctionnelle densité Plan cristallographique Propriété surface Réaction surface Structure surface 6843 Substrat TiO2
Keyword (en)
Adsorption Anatase Chemical decomposition Surface energy Theoretical study Crystal faces Dipole moments Reaction mechanism Density functional method Crystallographic plane Surface properties Surface reactions Surface structure
Keyword (es)
Anatasa Descomposición química Mecanismo reacción Plano cristalográfico
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

Discipline
Physics of condensed state : structure, mechanical and thermal properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
25791483

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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