Fallaque-Najar, Joel; Morales-Gomero, Juan-Carlos; Timón, Vicente
(ElsevierPaíses Bajos, 2019)
The adsorption of ethanol on Au(100), Au(110) and Au(111) surfaces was studied using electronic structure calculations under the scheme of the density functional theory (DFT) with van der Waals corrections, vdW-DF2 and PBE ...