Publication in ACS Catalysis
AI and physics simulations reveal 16 new direct-gap 2D semiconducting materials with potential for enhancing water photocatalysis in hydrogen (H2) production. Our research paper titled Data-Driven Discovery of Intrinsic Direct-Gap 2D Materials as Potential Photocatalysts for Efficient Water Splitting is published in ACS Catalysis. Its pre-print version is freely accessible on ChemRxiv.