Ab initao study of neutral (TiO2)n clusters and their interactions with water and transition metal atoms
- Author
- CAKIR, D1 ; GÜLSEREN, O1
[1] Department of Physics, Bilkent University, Ankara 06800, Turkey - Source
Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 30 ; 305301.1-305301.13 ; ref : 107 ref
- CODEN
- JCOMEL
- ISSN
- 0953-8984
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Institute of Physics, Bristol
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Adsorption Agrégat atomique Analyse structurale Chaleur formation Effet dimensionnel Energie liaison Energie totale Métal transition Méthode fonctionnelle densité Méthode orbitale moléculaire Méthode pseudopotentiel Onde plane Orbitale frontière Oxyde de titane Structure électronique 7322 CaSe GaP TiO2
- Keyword (en)
- Adsorption Atomic clusters Structural analysis Heat of formation Size effect Binding energy Total energy Transition elements Density functional method Molecular orbital method Pseudopotential methods Plane waves Frontier orbital Titanium oxide Electronic structure
- Keyword (es)
- Análisis estructural Orbital frontera Titanio óxido
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70C Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures / 001B70C22 Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 26192142
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
10.1088/0953-8984/24/30/305301 
https://dx.doi.org/10.1088/0953-8984/24/30/305301
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