Machine learning accelerated DFT research on platinum-modified amorphous alloy surface catalysts
Xi Zhang, Kangpu Li, Bo Wen, Jiang Ma, Dongfeng Diao
Topics & Concepts
CatalysisAmorphous solidDensity functional theoryAlloyAmorphous metalMaterials scienceGibbs free energyPlatinumMetalPhysical chemistryComputational chemistryChemistryCrystallographyThermodynamicsMetallurgyPhysicsBiochemistryElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceAdvanced Photocatalysis Techniques