E-mail

E-mail a Wiley Online Library Link

Yuchi Zhang and Dmitri S. Kilin Computational modeling of wet TiO2 (001) anatase surfaces functionalized by transition metal doping International Journal of Quantum Chemistry 112

Version of Record online: 24 JUL 2012 | DOI: 10.1002/qua.24289

Thumbnail image of graphical abstract

Titanium dioxide anatase nanostructure is a photocatalyst under UV light. Given the importance of cheaply producing hydrogen from nonpetrochemical sources, this fact can be exploited for water splitting on its crystals, subject to the choice of a proper surface and functionalization. This study considers the problem of doping the surface with transition metal species, tuning the bandgap/density of states, and optimizing the nanostructure to maximize splitting, which facilitate the efficiency of photocatalytic water splitting on TiO2 crystals.

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field

SEARCH