Machine-learning-accelerated screening of hydrogen evolution catalysts in MBenes materials
Xiang Sun, Jingnan Zheng, Yijing Gao, Chenglong Qiu, Yi‐Long Yan, Zihao Yao, Shengwei Deng, Jianguo Wang
Topics & Concepts
CatalysisGibbs free energyDensity functional theoryHydrogenHydrogen atomAdsorptionMetalAtom (system on chip)MXenesMaterials sciencePhysical chemistryChemistryComputational chemistryThermodynamicsNanotechnologyComputer sciencePhysicsMetallurgyGroup (periodic table)Embedded systemBiochemistryOrganic chemistryMXene and MAX Phase MaterialsElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques