Mechanism of interlayer spacing on catalytic properties of MoS2 from ab-initio calculation
Shuang Chen, Yong Pan
Topics & Concepts
Antibonding molecular orbitalCatalysisHydrogenAb initioAtomic orbitalDensity functional theoryMaterials scienceChemical physicsCondensed matter physicsComputational chemistryChemistryElectronPhysicsQuantum mechanicsBiochemistryOrganic chemistryElectrocatalysts for Energy ConversionMXene and MAX Phase Materials2D Materials and Applications