Boosting BaTi4O9 photocatalytic H2 evolution activity by functionalized CuNi alloy

H 2 evolution through photocatalysis possesses has the advantage for achieving the carbon neutral, that relies on the highly efficient catalysts. Non-noble metals have lower prices than noble metals, which is beneficial for their large-scale applications in industry. In this paper, functionalized CuNi alloy and BaTi 4 O 9 (BTO) composite (Cu x Ni y /BTO(Z)) photocatalyst were synthesized successfully through hydrothermal calcination method. The acetates were selected the raw material to avoid the use of hazardous chemicals and pollution of photocatalysts by other elements, while also providing C=O for the photocatalyst to further enhance its photocatalytic activity. Under visible light irradiation, the photocatalytic hydrogen (H 2 ) evolution rate of Cu 3 Ni/BTO is 184.14 μmol·g −1 ·h −1 , which is 101.18 times that of pure BTO (1.82 μmol·g −1 ·h −1 ) under the same conditions. Combining density functional theory (DFT) calculations and experimental studies, it is concluded that electronic structural characteristics of BaTi 4 O 9 and the addition of CuNi alloy could provide more electrons and improve the photocatalytic H 2 evolution activity.