Accelerating the screening of catalysts for hydrogen evolution reaction in graphene materials based on DFT calculations and machine learning
Zikai Xiong, Shengjun Huo, Wanglai Cen, Jikun Feng, Jiahao Zeng, Meiling Hou, Yu Liu
Topics & Concepts
CatalysisGrapheneHydrogenMaterials scienceNanotechnologyChemical engineeringChemistryOrganic chemistryEngineeringMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionFuel Cells and Related Materials