Graphene/MoSi2X4: A class of van der Waals heterojunctions with unique mechanical and optical properties and controllable electrical contacts

First principles calculations of the electronic configuration and photocatalytic performance of GaSe(Ga2SSe)/MoS2(MoSSe) heterojunctions

“…In order to gain an in-depth comprehension of the physical mechanism of charge transfer in GaSe/MoSSe and Ga 2 SSe/MoS 2 of model A, the differential charge density (CDD) and plane-averaged differential charge density analyses were performed, as described in eqn (4) and (5): 54,55 Δ ρ = ρ GaSe/MoSSe(Ga 2 SSe/MoS 2 ) − ρ GaSe(Ga 2 SSe) − ρ MoSSe(MoS 2 ) where ρ GaSe/MoSSe(Ga 2 SSe/MoS 2 ) , ρ GaSe(Ga 2 SSe) and ρ MoSSe (MoS 2 ) represent the total charge density of the heterojunction and the two monolayers, respectively. , and are the charge densities of the heterojunction and the two monolayers perpendicular to the xy plane, respectively.…”

“…In order to gain an in-depth comprehension of the physical mechanism of charge transfer in GaSe/MoSSe and Ga 2 SSe/MoS 2 of model A, the differential charge density (CDD) and planeaveraged differential charge density analyses were performed, as described in eqn ( 4) and ( 5): 54,55 Dr = r GaSe/MoSSe(Ga 2 SSe/MoS 2 ) À r GaSe(Ga 2 SSe) À r MoSSe(MoS 2 ) (4)…”

Simulation Studies on Robust Contacts in V2CT2/MoSi2N4 (T═O, F, OH) van der Waals Heterojunction Nanostructures: Implications for Optoelectronic Devices

“…Previous study has shown that MoSi 2 N 4 has excellent potential in optoelectronic devices . In Figure a, the design of a p–i–n FET is presented, consisting of a right (Source) electrode V 2 CO 2 H 2 /MoSi 2 N 4 with n-doping and a left (Drain) electrode V 2 CO 2 /MoSi 2 N 4 with p-doping.…”

“…This, in turn, leads to changes in the contact properties when Δδ is negative. 68 Therefore, the transition of the contact property of V 69 In Figure 6a, the design of a p−i−n FET is presented, consisting of a right (Source) electrode V 2 CO 2 H 2 /MoSi 2 N 4 with n-doping and a left (Drain) electrode V 2 CO 2 /MoSi 2 N 4 with p-doping. This design stands out from p−n InSe/phosphorene 70 and MoS 2 /WSe 2 71 nanodiodes, which utilize dissimilar channel materials, leading to reduced issues related to lattice mismatch and interface carrier scattering.…”

“…This, in turn, leads to changes in the contact properties when Δδ is negative. 68 Therefore, the transition of the contact property of V 69 In Figure 6a, the design of a p−i−n FET is presented, consisting of a right (Source) In pursuit of a high-performance device, a 100% tunneling probability (P TB ) is necessary, and the strain can be easily adjusted to P TB . 26 As shown in Figure 6b,c, we calculated the P TB under different Δd and Δδ.…”