Monolayer MoSi2N4- as promising electrocatalyst for hydrogen evolution reaction: A DFT prediction
Wangwang Qian, Zhe Chen, Jinfeng Zhang, Lichang Yin
Topics & Concepts
OverpotentialMonolayerElectrocatalystDensity functional theoryFermi levelMaterials scienceVacancy defectCatalysisHydrogenChemical physicsChemistryNanotechnologyPhysical chemistryComputational chemistryCrystallographyElectrochemistryElectrodeElectronPhysicsBiochemistryOrganic chemistryQuantum mechanicsMXene and MAX Phase MaterialsAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion