We report a van der Waals heterostructure formed by monolayers of MoS2 and ReS2 with a type-I band alignment. First-principle calculations show that in this heterostructure, both the conduction band minimum and the valence band maximum are located in the ReS2 layer. This configuration is different from previously accomplished type-II van der Waals heterostructures where electrons and holes resi...

In contemporary research, “Heterostructure” assemblies play an important role in energy conversion systems, wherein the composite assemblies facilitate faster charge carrier transport across the material interfaces. The improved/enhanced efficiency metrics in these systems (electro/photo-electrochemical processes/devices) is due to synergistic interaction and synchronized charge transport a...

The optical characteristics of an indirect type II transition in a series of size and shape-controlled linear CdTe/CdSe/CdTe heterostructure nanorods was studied by steady state and time resolved photoluminescence spectra. The energy and lifetime of the photoluminescence from the charge-separated band structure can be tuned by the band edges of the nanorods. Our results show a size-dependent tr...

Heterostructures based on new advanced materials offer a cornerstone for future optoelectronic devices with improved photoelectric performance. Band alignment is crucial understanding the mechanism of charge carrier transportation and interface dynamics in heterostructures. Herein, we grew SnS2/Bi2X3 (X = Se, Te) van der Waals heterostructures by combining physical vapor deposition chemical dep...

Two-dimensional van der Waals heterostructures have been widely designed and applied to numerous optoelectronic devices such as photoelectrochemical (PEC)-type photodetectors, water splitting, solar cells. The understanding of the influence band alignment in type-I on photoelectric response remains incomplete yet essential for designing new devices. Herein, two-step physical vapor deposition is...

Modern quasiparticle calculations based on hybrid functionals and the GW approximation or a transition-state approach are used to predict natural band discontinuities between wurtzite and zinc-blende polytypes of AlN, GaN, and InN by two alignment methods, a modified Tersoff method for the branch-point energy and the Shockley-Anderson model aligning electrostatic potentials. We find a type-I he...

The structures and electronic properties of the phosphorene and graphene heterostructure are investigated by density functional calculations using the hybrid Heyd-Scuseria-Ernzerhof (HSE) functional. The results show that the intrinsic properties of phosphorene and graphene are preserved due to the weak van der Waals contact. But the electronic properties of the Schottky contacts in the phospho...