First-principles prediction of a direct Z-scheme WSe<sub>2</sub>/HfS<sub>2</sub> van der Waals heterostructure for overall photocatalytic water decomposition
Yan Zhang, Zhi-Bo Qiang, Jian-Xin Ding, Kang-Xin Xie, Li Duan, Lei Ni
Abstract
Band alignment of the WSe 2 and HfS 2 monolayers pre- and post-contact (a) and the path of photogenerated carrier migration in the WSe 2 /HfS 2 heterojunction within a direct Z-scheme mechanism (b).
Topics & Concepts
HeterojunctionPhotocatalysisvan der Waals forceMonolayerDecompositionMaterials scienceScheme (mathematics)ChemistryOptoelectronicsNanotechnologyCatalysisMathematicsMoleculeOrganic chemistryBiochemistryMathematical analysis2D Materials and ApplicationsMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques