Correlated Electron-Nuclear Dynamics of Photoinduced Water Dissociation on Rutile TiO2

Correlated Electron-Nuclear Dynamics of Photoinduced Water Dissociation on Rutile TiO2

Physics, Condensed Matter Physics, Chemistry, Physical Chemistry, Computational Chemistry, Materials Science, Inorganic Non-Metallic Materials,
electron-nuclear dynamics   photocatalysis   water dissociation   rutile TiO2   first-principles dynamics   photoexcited carriers  

Electron-Nucleus Dynamics Study of Photocatalytic Water Splitting on Rutile Titanium Dioxide Surface Background and Motivation Photocatalytic water splitting is one of the important applications of photocatalytic technology, while titanium dioxide (TiO₂) is a photocatalytic material with significant application potential. Although TiO₂ performs rem...