The layered cadmium phosphorus trichalcogenides nanosheet with anion mono-doping: A new candidate for solar-driven water splitting
The layered cadmium phosphorus trichalcogenides nanosheet with anion mono-doping: A new candidate for solar-driven water splitting
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DOI：
10.1016/j.ces.2020.116069
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发表时间：
2021-01
影响因子：
4.7
通讯作者：
He Li;N. Wells;B. Chong;Baorong Xu;Jinjia Wei;Bolun Yang;Guidong Yang
中科院分区：
文献类型：
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作者：
He Li;N. Wells;B. Chong;Baorong Xu;Jinjia Wei;Bolun Yang;Guidong Yang
层状金属磷三硫属化物（MPCh3）是一类正在经历再发明的材料，其作为用于析氢反应（HER）光催化剂的有希望的候选物，这在很大程度上是由于它们的高度可调谐性。使用DFT计算分析确定三硫化磷镉（CdPS3）作为MPCh3的注意，具有高稳定性和有利的带隙位置。通过阴离子单掺杂使相对高的带隙（2.99 eV）变窄，以精确地调谐半导体的子电子结构。本文报道了层状N掺杂CdPS3纳米片的第一个实例，并发现其是仅用于可见光制氢的可行候选物，显示出显著的稳定性和与其他报道的MPCh3光催化剂相当的H2产率。深入了解这种新型材料的电子结构。
The layered metal phosphorus trichalcogenides (MPCh3) 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 MPCh3of 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 CdPS3nanosheet is reported, and found to be a viable candidate for visible light only hydrogen production, showing remarkable stability and a H2yield comparable to other reported MPCh3photocatalysts. Insights into the electronic structure of this novel material are given.