
Chemistry, Год журнала: 2025, Номер 7(3), С. 76 - 76
Опубликована: Май 4, 2025
Direct Z-scheme heterojunctions are known for their unique carrier mobility mechanism, which significantly improves photocatalytic water splitting efficiency. In this study, we use first-principles simulations to determine the stability, electrical, and properties of a SnC/SnS2 heterojunction. Analyses projected energy band state density demonstrate that heterojunction exhibits an indirect gap 0.80 eV type-II alignment. Analysis its work function shows has built-in electric field pointing from SnC monolayer SnS2 monolayer. The edge position differential charge indicate heterostructure mechanism. Furthermore, excellent visible-light absorption high solar-to-hydrogen efficiency 32.8%. It is found light can be effectively tuned by biaxial strain. These results fabricated significant photocatalysis potential.
Язык: Английский