Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2007

Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals

(1) , (2) , (2) , (3) , (4)
1
2
3
4
Fichier non déposé

Dates et versions

hal-01828320 , version 1 (03-07-2018)

Identifiants

Citer

Frédéric Labat, Philippe Baranek, Christophe Domain, Christian Minot, Carlo Adamo. Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals. Journal of Chemical Physics, 2007, 126 (15), ⟨10.1063/1.2717168⟩. ⟨hal-01828320⟩
37 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook Twitter LinkedIn More