Charge Localization Dynamics induced by Oxygen Vacancies on the Titania TiO${}_2$(110) Surface

Piotr M. Kowalski, Matteo Farnesi Camellone, Nisanth N. Nair +2

The dynamics of an F--center created by an oxygen vacancy on the $\mathrm{Ti}{\mathrm{O}}_2(110)$ rutile surface has been investigated using {\it ab initio} molecular dynamics. These simula…