S-Scheme Boron Phosphide/MoS Heterostructure with Excellent Light Conversion Ability for Solar Cells and Water Splitting Photocatalysts.

Monolayer molybdenum disulfide (MoS) with a suitable direct band gap and strong optical absorption is very attractive for utilization in solar cells and photocatalytic water splitting. Nevertheless, the broader utilization of MoS is impeded by its low carrier mobility and limited responsiveness to infrared light. To overcome these challenges, we constructed a variety of stackings for the boron phosphide (BP)/MoS van der Waals heterostructure (vdWH), all of which display S-scheme band alignments except for the AC' stacking.