AlAs/SiH van der Waals heterostructures: A promising photocatalyst for water splitting

Electric field tunability of the electronic properties and contact types in the MoS2/SiH heterostructure

“…This interlayer spacing is in the same order of magnitude as other Si(Ge)H-based heterostructures, such as GeH/graphene, 48 SiH/PtSe 2 , 47 and SiH/AlAs. 49 Moreover, to check the structural stability of such a heterostructure, we further calculate the binding energy as: The generation of type-II band alignment in the MoS 2 /SiH HTS may lead to charge redistribution at the interface. Therefore, we further visualize the charge density difference as Dr ¼ r H À r M À r S , where r H , r M and r S are the charge densities of the MoS 2 /SiH HTS, and isolated MoS 2 and SiH monolayers, respectively.…”

“…This interlayer spacing is in the same order of magnitude as other Si(Ge)H-based heterostructures, such as GeH/graphene, 48 SiH/PtSe 2 , 47 and SiH/AlAs. 49 Moreover, to check the structural stability of such a heterostructure, we further calculate the binding energy as: E b = [ E H − ( E M − E S )]/ A , where E H , E M and E S are the total energies of the MoS 2 /SiH heterostructure, and isolated MoS 2 and SiH monolayers, respectively. A is the surface area of the MoS 2 /SiH HTS.…”

Tunability of the electronic properties and contact types of the silicane/MoSi2N4heterostructure under an electric field

“…One can find that this interlayer separation is in good agreement with that in the SiH-based heterostructure. 35,37 Furthermore, to evaluate the structural stability of the SiH/MoSi 2 N 4 heterostructure, the binding energy was calculated as…”

“…[26][27][28][29] The SiH-based and MoSi 2 N 4 -based heterostructures have also been discovered and predicted. [30][31][32][33][34][35][36][37][38] However, the heterostructure between SiH and MoSi 2 N 4 has not yet been composed and investigated. Therefore, in this work, we design a SiH/MoSi 2 N 4 heterostructure and examine its electronic properties and contact characteristics using firstprinciples calculations.…”

Electronic and Optical Properties of the Type‐II GaN/SiH van der Waals Heterostructure: A First‐Principles Study

“…All of these results are in good agreement with the published results for the same levels. [23,25,26,31,43]…”