光催化
异质结
材料科学
卤化物
氧化物
制氢
钙钛矿(结构)
锌
产量(工程)
光化学
氢
无机化学
化学工程
催化作用
化学
光电子学
冶金
生物化学
有机化学
工程类
作者
Ahmed Al-Shami,Anass Sibari,Zouhir Mansouri,Majid El Kassaoui,A. El Kenz,A. Benyoussef,Mohamed Azzouz,Mustapha Jouiad,Amine El Moutaouakil,O. Mounkachi
摘要
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 drastically improves the photocatalytic activity. Based on our calculations, our heterostructure yields a high hydrogen production rate, estimated to be 265.05 μmol/g and 362.99 μmol/g, respectively, for a neutral pH and an acidic pH of 5. These theoretical yield values are very promising and provide interesting inputs for the development of stable halide perovskites known for their superlative photocatalytic properties.
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