TiO2 anatase's bulk and (001) surface, structural and electronic properties: A DFT study on the importance of Hubbard and van der Waals contributions

TiO2 anatase's bulk and (001) surface, structural and electronic properties: A DFT study on the importance of Hubbard and van der Waals contributions

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 653, November 2016, Pages 187-196

Eduard Araujo-Lopez, Luis Alcala Varilla, Nicola Seriani, Javier A. Montoya,