Role of oxygen vacancy in the adsorption and dissociation of the water molecule on the surfaces of pure and Ni-doped rutile (110): a periodic full-potential DFT study

Role of oxygen vacancy in the adsorption and dissociation of the water molecule on the surfaces of pure and Ni-doped rutile (110): a periodic full-potential DFT study

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 679, January 2019, Pages 218-224

Hajar Heydari, MohammadReza Elahifard, Reza Behjatmanesh-Ardakani,