Role of spin-resolved anti-bonding states filling for enhanced HER performance in 3d transition metals doped monolayer WSe2
Liu Guo, Rui Li, Jiawei Jiang, Xueping Fan, Ji‐Jun Zou, Wenbo Mi
Topics & Concepts
AntiferromagnetismMagnetismMonolayerTransition metalDensity functional theoryTungsten diselenideDelocalized electronMaterials scienceFerromagnetismChemistryCrystallographyCondensed matter physicsNanotechnologyCatalysisComputational chemistryPhysicsBiochemistryOrganic chemistry2D Materials and ApplicationsElectrocatalysts for Energy ConversionMXene and MAX Phase Materials