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

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

2010-08-27

arxiv.org/abs/1008.4652v1

Physics

Condensed Matter

Materials Science

4 pages, 2 figures, accepted for publication in Phys. Rev. Letters

Scientific paper

The dynamics of an F--center created by an oxygen vacancy on the $\mathrm{TiO_{2}(110)}$ rutile surface has been investigated using {\it ab initio} molecular dynamics. These simulations uncover a truly complex, time-dependent behavior of fluctuating electron localization topologies in the vicinity of the oxygen vacancy. Although the two excess electrons are found to populate preferentially the second subsurface layer, they occasionally visit surface sites and also the third subsurface layer. This dynamical behavior of the excess charge explains hitherto conflicting interpretations of both theoretical findings and experimental data.

Affiliated with

Also associated with

No associations

Rating

Charge Localization Dynamics induced by Oxygen Vacancies on the Titania TiO$_2$(110) Surface does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Charge Localization Dynamics induced by Oxygen Vacancies on the Titania TiO$_2$(110) Surface, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Charge Localization Dynamics induced by Oxygen Vacancies on the Titania TiO$_2$(110) Surface will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-331233