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

Article ID	Journal	Published Year	Pages	File Type
10998162	Surface Science	2019	21 Pages	PDF

Keywords

DOS calculations oxygen vacancy TiO2 photocatalyst

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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

Authors

Hajar Heydari, MohammadReza Elahifard, Reza Behjatmanesh-Ardakani,