Mechanism for hydrogen evolution from water splitting based on a MoS<sub>2</sub>/WSe<sub>2</sub> heterojunction photocatalyst: a first-principle study
Yazhou Wang, Tong Liu, Weizhi Tian, Ying Zhang, Pengyue Shan, Yunjian Chen, Wanhang Wei, Hongkuan Yuan, Hong Cui
Abstract
, which greatly improved the efficiency of hydrogen production by photocatalytic water splitting.
Topics & Concepts
Density functional theoryWork functionHeterojunctionSemiconductorWater splittingElectronic band structurePhotocatalysisBand gapElectric fieldChemical physicsHydrogenMaterials scienceElectronCharge densityBinding energyPhotocatalytic water splittingWork (physics)Atomic physicsChemistryOptoelectronicsCondensed matter physicsComputational chemistryNanotechnologyPhysicsCatalysisThermodynamicsQuantum mechanicsBiochemistryLayer (electronics)Organic chemistryAdvanced Photocatalysis Techniques2D Materials and ApplicationsMXene and MAX Phase Materials