Interfacial electronic states and self-formed p–n junctions in hydrogenated MoS₂/SiC heterostructure

Abstract

It is difficult to generate p–n junctions in atomically thin transition metal dichalcogenides (TMDs) because of the great challenge of selective doping.

Strain engineering on the electronic states of two-dimensional GaN/graphene heterostructure

“…[1][2][3][4][5][6][7] More recently, the main research focus has shied from monocomponent systems to hybrid ones composed of at least two types of chemically different 2D materials, such as graphene/hexagonal boron nitride (h-BN), 8 graphene/black phosphorene (BP), 9 and graphene/transition metal dichalcogenides (TMDs), 10 for the van der Waals (vdW) heterostructure formed between participating materials. This strategy could not only overcome the lattice mismatch-induced defects in participating materials synthesized by epitaxial growth but can also induce excellent physical properties, [11][12][13][14][15][16] thus leading to some very intriguing phenomena such Hofstadter's buttery spectrum, 17,18 strongly bound excitons, 19,20 and spin valley polarization. 21,22 Gallium nitride (GaN) is an important commercial semiconductor for optoelectronic applications in the visible and near-ultraviolet parts of the spectrum.…”

Anisotropic Janus SiP2 Monolayer as a Photocatalyst for Water Splitting

“…A variety of 2D photocatalytic materials already have been studied experimentally and/or theoretically, such as g-C 3 N 4 , 8 BN, 9 phosphorene, 10 transition-metal dichalcogenides, 11 PdSeO 3 , 12 , 13 and covalent organic frameworks, 14 some demonstrating excellent efficiency. Still, photocatalysts for water splitting are rare.…”

Efficient Band Gap Engineering and Enhanced Optical Absorption of Vertical Germanene/h‐AlN Bilayer Heterostructure: Potential New Electronics and Optoelectronics

“…The interlayer distances of four equilibrium configurations are 2.941, 2.937, 2.946, and 2.938 Å, respectively, indicating a similar variation trend with binding energy. According to the previous researches on 2D HTSs, it has been evidenced that the monolayers are combined via the van der Waals (vdW) force with negative E b value, e.g., AlAs/germanene (−193 meV) and MoS 2 /SiC HTSs (−144 meV), smaller than those in our work, indicating the Ge/AlN HTS is also a type of vdW HTS. However, it should be noted that Ye et al ever stated that the two layers in the germanene/ZeSe HTS might be contacted via not vdW interaction but another type of mechanism, such as orbital hybridization or electrostatic interaction owing to binding energy of −321 meV, as twice as those in our work, showing that the vdW interactions in 2D HTS can only be confirmed if the binding energy limited into a certain range, otherwise, another type of interaction mode or hybridization of vdW interaction with others may play a vital role.…”

“…After the full convergence, the Ge/AlN HTS reaches an equilibrium state when the diverse parameters within convergence standard selected in the computational method section. The equilibrium interlayer distance is 2.937 Å, a little bit larger than that in MoO 2 /WO 2 (2.907 Å), MoS 2 /SiC (2.928 Å), silicene/InSe (2.933 Å), and MoS 2 /ZnO (2.91 Å) HTSs, but a bit smaller than that in germanene/ZnSe (2.985 Å) HTS, demonstrating that the intensity of interactions between the Ge and AlN monolayers is weaker than the former and stronger than the latter.…”

“…Similar structural characteristic is presented for the h ‐AlN monolayer, which illustrates promising potential application to contact with other 2D materials. It has been evident that the AlN monolayer can stably exist in graphene‐like hexagonal lattice and be experimentally available, indicating great feasibility to achieve the compound with other materials in the experiments. However, h ‐AlN monolayer was predicted as a semiconductor with a large indirect band gap, which limited its application prospect due to the poor optical response.…”