2D Photocatalysts on GaN Nanowires

Hydrogen generation via PEC water splitting is an appealing approach for conversion of solar energy into chemical fuel. PEC requires photocatalysts to function and 2D photocatalysts have received tremendous attention. We report an investigation of solar fuel generation using defect-free GaN nanowires as linker between planar Si wafer and 2D photocatalyst MoS₂, focusing on the modeling side [1]. The electronic interaction as well as excellent geometric-matching structure between GaN and MoS₂ enable excellent electron-migration channels for high charge carrier extraction efficiency, leading to outstanding photocatalytic performance. Our approach[1] of constructing super-heterostructures offers clear benefits for solar water splitting, including the use of low-cost, large-area Si wafer for light harvesting, earth-abundant MoS₂ catalyst for proton reduction, and defect-free GaN nanowires for highly efficient charge carrier extraction and for exposing a high-density of active sites. We further report a general numerical procedure for quantitative estimation of band edge positions and band edge shifts and microscopic origins of these shifts for solid/liquid system[2].
1. Nature Communications, 2018. 9(1): p. 3856.
2. in preparation, 2018.