Work

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

Year: 2007

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/1.2717168

Authors: Frédéric Labat, Philippe Baranek, Christophe Domain, Christian Minot, Carlo Adamo

Institutions: Chimie ParisTech - PSL, Électricité de France (France), Centre National de la Recherche Scientifique, Laboratoire de Chimie Théorique, Université Pierre-et-Marie-Curie

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

OpenAlex ID: W2002852143

FWCI: 9.175

Cites: 77

Cited by: 376

Related to: 10