Water dissociation at the water-rutile TiO<sub>2</sub>(110) interface from ab initio-based deep neural network simulations.

Water dissociation at the water-rutile TiO₂(110) interface from ab initio-based deep neural network simulations.

Wen, Bo; Calegari Andrade, Marcos F; Liu, Li-Min; Selloni, Annabella.

Affiliation

Wen B; School of Physics and Electronics, Henan University, Kaifeng 475001, People's Republic of China.
Calegari Andrade MF; Department of Chemistry, Princeton University, Princeton, NJ 08544.
Liu LM; School of Physics, Beihang University, Beijing 100083, People's Republic of China.
Selloni A; Department of Chemistry, Princeton University, Princeton, NJ 08544.

Proc Natl Acad Sci U S A ; 120(2): e2212250120, 2023 01 10.

Article in En | MEDLINE | ID: mdl-36598953