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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

CODEN
SUSCAS
ISSN
0039-6028
Scientific domain
General chemistry, physical chemistry; Nanotechnologies, nanostructures, nanoobjects; Condensed state physics; Polymers, paint and wood industries
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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