异质结
光催化
材料科学
密度泛函理论
载流子
光电子学
化学工程
纳米技术
化学
催化作用
计算化学
有机化学
工程类
作者
Shiping Li,Hassan Naderi,Fuchun Zhang,Jong‐Sup Bae,Chunli Liu
标识
DOI:10.1016/j.jcis.2023.08.189
摘要
Two-dimensional (2D) “face-to-face” heterojunctions promote interfacial charge transfer and separation in composite photocatalysts. Here, we report an efficient 2D/2D step-scheme (S-scheme) photocatalyst composed of Bi2MoO6/Zn3V2O8 (BMO/ZVO), which has been designed and prepared via the self-assembly of BMO and ZVO nanoflakes. The heterojunction with an optimized composition of 30% BMO/ZVO showed extended light absorption capacity and enhanced separation efficiency of photogenerated carriers. Density functional theory (DFT) calculation on work function and charge density revealed the presence of a built-in electric field at the interface region, which should facilitate the separation of photogenerated electron-hole pairs. This work showed that it is essential to select two photocatalysts with interlaced band arrangement and to fine-tune the heterojunction interface for the preparation of S-scheme heterojunctions to achieve high photocatalytic efficiency.
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