The layered cadmium phosphorus trichalcogenides nanosheet with anion mono-doping: A new candidate for solar-driven water splitting

The layered metal phosphorus trichalcogenides (MPCh(3)) are a class of materials which are undergoing a reinvention as a promising candidate for use as a hydrogen evolution reaction (HER) photocatalyst, due in large part to their high degree of tunability. Use of DFT computational analysis identifies cadmium phosphorus trisulfide (CdPS3) as an MPCh(3) of note, with high stability and favorable band gap positions. A relatively high band gap (2.99 eV) is narrowed by anion mono-doping to precisely tune the sub-electronic structure of the semiconductor. Herein, the first instance of the layered N-doped CdPS3 nanosheet is reported, and found to be a viable candidate for visible light only hydrogen production, showing remarkable stability and a H-2 yield comparable to other reported MPCh(3) photocatalysts. Insights into the electronic structure of this novel material are given. (c) 2020 Elsevier Ltd. All rights reserved.

Automated summary

Layered metal phosphorus trichalcogenides are being reconsidered as promising candidates for hydrogen evolution reaction photocatalysts due to their high tunability, with cadmium phosphorus trisulfide identified as a notable example. An N-doped CdPS3 nanosheet has been reported as a viable candidate for visible light hydrogen production, showing remarkable stability and comparable yield to other MPCh(3) photocatalysts. Insights into the electronic structure of this novel material are provided.