Machine learning assisted screening of doped metals phosphides electrocatalyst towards efficient hydrogen evolution reaction
Shuyi Cao, Yuhong Luo, Tianhang Li, Jingde Li, Lanlan Wu, Guihua Liu
Topics & Concepts
CatalysisElectronegativityElectrocatalystGibbs free energyDensity functional theoryAdsorptionTransition metalInorganic chemistryReactivity (psychology)ChemistryDopingPhysical chemistryMaterials scienceChemical engineeringElectrochemistryComputational chemistryThermodynamicsOrganic chemistryPhysicsEngineeringPathologyElectrodeOptoelectronicsAlternative medicineMedicineElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceFuel Cells and Related Materials