Influence of Anatase-Rutile Ratio on Band Edge Position and Defect States of TiO₂ Homojunction Catalyst

Removal of toxic air and water dissociation in the environment has become a major challenging issue throughout the world. Mixed phase rutile-anatase titanium dioxide catalysts are very effective in photocatalysis and have been studied extensively. However, the mechanism causing this effect and band alignment of the two phases are not fully understood. Pointing to the issue, we have designed one-dimensional mixed-phase TiO₂ and introduced defects near the valence band. Experimental results showed that band alignment between two phases, up-shift of the band edge, and optimum anatase percentage play a key role in the enhancement of the photocatalytic activity. We predicted shifts in band edge originating from surface electric dipole layer induced by defects.