Anatase and rutile surfaces with adsorbates representative of acidic and basic conditions
- Author
- BARNARD, A. S1 2 ; ZAPOL, P1 2 3 ; CURTISS, L. A2 3
[1] Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, United States
[2] Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, United States
[3] Chemistry Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, United States - Source
Surface science. 2005, Vol 582, Num 1-3, pp 173-188, 16 p ; ref : 50 ref
- Publisher
- Elsevier Science, Amsterdam
/
Elsevier Science, Lausanne
/
Elsevier Science, New York, NY
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- Chemisorption Density functional calculations Low index single crystal surfaces Surface free energy Surface relaxation and reconstruction Titanium dioxide surface stress
- Keyword (fr)
- Chimisorption Composé minéral Contrainte superficielle Energie libre Energie surface Etat adsorbé Monocristal Métal transition composé Méthode fonctionnelle densité Reconstruction surface Relaxation structurale Structure surface Titane oxyde O Ti TiO2
- Keyword (en)
- Chemisorption Inorganic compounds Surface stresses Free energy Surface energy Adsorbed state Monocrystals Transition element compounds Density functional method Surface reconstruction Structure relaxation Surface structure Titanium oxides
- Keyword (es)
- Estado adsorbido Relajación estructural
- 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
- 16768651
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.susc.2005.03.014 
https://dx.doi.org/10.1016/j.susc.2005.03.014
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