fig5
Figure 5. Photocatalyst designs by high-throughput screening. (A) Machine learning accelerated exploration of ternary organic heterojunction photocatalysts for sacrificial hydrogen evolution[93]. Copyright 2023, American Chemical Society; (B) High-throughput computational screening of Janus 2D III-VI van der Waals heterostructures for solar energy applications[94]. Copyright 2022, American Chemical Society; (C) Data-driven materials discovery of robust and synthesizable photocatalysts for CO2 reduction[95]. Copyright 2019, Springer; (D) Data-driven discovery of intrinsic direct-gap 2D materials as potential photocatalysts for efficient water splitting[96]. Copyright 2024, American Chemical Society. PBE: Perdew-Burke-Ernzerh; ML: machine learning; HSE: Heyd-Scuseria-Ernzerhof.
