Two-Dimensional Tri-Hex Carbon: A Promising, Efficient, and Acid-Resistant Photocatalyst for Water Splitting

Photocatalytic hydrogen production via water splittinghas beena promising method to produce clean energy and effectively reduceenvironmental pollution. Herein, a specific bandgap-oriented structuresearch was performed. A two-dimensional (2D) carbon structure comprisingtriatomic and hexatomic carbon rings, named 2D tri-hex carbon, wasproposed to possess suitable bandgap and band edge positions for photocatalyticwater splitting. Our results show that 2D tri-hex carbon has a highabsorption coefficient under sunlight and high photocatalytic water-splittingefficiency under acidic conditions. The study provides insight intoexploring a promising candidate in 2D carbon materials for acid-corrosion-resistantphotocatalytic water-splitting applications.