Photocatalytic Properties of ZnO:Al/MAPbI3/Fe2O3 Heterostructure: First-Principles Calculations.

ABSTRACT: We report on theoretical investigations of a methylammonium lead halide perovskite system loaded with iron oxide and aluminum zinc oxide (ZnO:Al/MAPbI3/Fe2O3) as a potential photocatalyst. When excited with visible light, this heterostructure is demonstrated to achieve a high hydrogen production yield via a z-scheme photocatalysis mechanism. The Fe2O3: MAPbI3 heterojunction plays the role of an electron donor, favoring the hydrogen evolution reaction (HER), and the ZnO:Al compound acts as a shield against ions, preventing the surface degradation of MAPbI3 during the reaction, hence improving the charge transfer in the electrolyte. Moreover, our findings indicate that the ZnO:Al/MAPbI3 heterostructure effectively enhances electrons/holes separation and reduces their recombination, which dra

SUBMITTER: Al-Shami A 

PROVIDER: S-EPMC10002523 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature