A Promising Application of Optical Hexagonal TaN in Photocatalytic Reactions

Abstract

Searching for highly active and efficient photocatalysts for photo‐induced/photo‐assisted reactions is always the most challenging task for solar energy utilization. In previous studies, the search for such materials has mainly focused on precious plasmonic metals (Au, Ag, Cu, etc) and semiconductor oxides (TiO2, ZnO, WO3, etc). Here, we report the potential application of hexagonal tantalum mononitride (TaN) as optical support in photocatalytic reactions, which could harness visible light to assist CO2 conversion and decompose organic pollutants. Theoretical study indicated that the improved electron‐hole separation over asymmetrically polar TaN under visible light illumination was critical for its utilizations in photocatalytic area. This study is forecasted to guide TaN to various photocatalytic reactions and wider optical application domains.