Electronic structure modulation from configuring anatase TiO₂ into a bicontinuous mesostructure

Background: Configuring TiO₂ into bicontinuous mesostructures greatly enhances its photocatalytic efficiency. While this enhancement is commonly attributed to the expanded surface area, it has become apparent that the surface-area expansion alone cannot fully explain the efficiency enhancement. Methods: Investigating additional factors becomes imperative and will be conducive to realizing further efficacy enhancement for photocatalysts. This paper presents spectroscopic and density functional theory approaches in finding additional reasons for the increased photocatalytic activity. Significant Findings: Results show that the enhanced efficacy resulting from mesostructuring is not solely due to an expansion in surface area but also stems from modulations in the TiO₂ electronic structure. The finding not only advances current understanding of mesostructuring-induced effects on metal-oxide semiconductors but also introduces an alternative avenue for fine-tuning a material electronic structure.