Photoelectric Properties of the g‐ZnO/β‐Ga₂O₃ Heterojunction

Heterojunction structures significantly influence the performance and function of β‐Ga 2 O 3 ‐based photodetectors through their unique material combination and interface control. The electronic structure, photoelectric properties, and mechanism of the g‐ZnO/β‐Ga 2 O 3 heterojunction are analyzed using the first‐principles calculations. The results show that the g‐ZnO/β‐Ga 2 O 3 heterojunction is a direct bandgap semiconductor, featuring an internal electric field directed from the g‐ZnO layer to the β‐Ga 2 O 3 layer. It demonstrates strong light absorption and an electric field response in the UV range of 200–310 nm. The conduction and valence band offsets are 0.731 and 2.231 eV, respectively, indicating efficient charge transport in the heterojunction. The mechanism for photogenerated carrier transfer follows an S‐type heterojunction, which meets the requirements for photocatalytic water decomposition in the pH range of 0–14. In summary, the g‐ZnO/β‐Ga 2 O 3 heterojunction is a promising photocatalytic material for optoelectronic components and photocatalysis.