Mechanistic insights into hydrogen evolution reaction on Ni2B(001) facet using first-principle calculations
Jiangtao Yu, Yan Zhao, Xueqing Niu, Jun Li, Hongtao Gao
Topics & Concepts
ElectrocatalystDensity functional theoryFacet (psychology)Reaction mechanismChemistryHydrogenMetalReactivity (psychology)Gibbs free energyPhysical chemistrySurface (topology)Transition metalChemical physicsMaterials scienceCatalysisThermodynamicsComputational chemistryElectrochemistryElectrodePhysicsMathematicsSocial psychologyAlternative medicineBig Five personality traitsMedicinePsychologyGeometryOrganic chemistryPathologyBiochemistryPersonalityElectrocatalysts for Energy ConversionAdvanced battery technologies researchAdvanced Photocatalysis Techniques