2D/2D Janus BiTeCl/GeSe vdW heterostructure as a robust high-performance S-scheme photocatalyst for water splitting

First-Principles Study on Janus-Structured Sc2CX2/Sc2CY2 (X, Y = F, Cl, Br) Heterostructures for Solar Energy Conversion

“…Clearly, for Sc 2 CF 2 /Sc 2 CCl 2 , Sc 2 CF 2 /Sc 2 CBr 2 , and Sc 2 CCl 2 /Sc 2 CBr 2 heterostructures, stacking-B exhibits the smallest E b of −35.67 meV∙Å −2 , −28.53 meV∙Å −2 , and −19.96 meV∙Å −2 , indicating that stacking-B is the most stable among the three stacking configurations. In addition, this value is smaller than the previously reported C 2 N/ZnSe heterostructure (−12.1 meV∙Å −2 ) [ 47 ] and BiTeCl/GeSe heterostructure (−11.07 meV∙Å −2 ) [ 48 ], revealing that Sc 2 CF 2 /Sc 2 CCl 2 , Sc 2 CF 2 /Sc 2 CBr 2 , and Sc 2 CCl 2 /Sc 2 CBr 2 are vdW heterostructures. Thus, only the stacking-B heterostructure was taken into consideration in all the following calculations.…”

Enhancing solar-to-hydrogen efficiency with an S-scheme GaTe/PtS2 van der Waals heterojunction with high light absorption

“…For example, Zhu et al combined a BiTeCl monolayer with a GeSe monolayer to construct a 2D S-scheme heterojunction and found that it could be a promising photocatalyst for comprehensive water splitting. 17 Similar studies also include g-C 3 N 4 /ZnO, TiO 2 / h-BN and PtS 2 /BN heterojunctions. 16,18,19 In addition, the existence of S-scheme heterojunctions has been experimentally confirmed.…”

Two-dimensional Janus SbTeBr/SbSI heterostructures as multifunctional optoelectronic systems with efficient carrier separation

“…33 The built-in electric field would also promote the movement of electrons from the SbSI monolayer to the SbTeBr monolayer, facilitating the separation of photogenerated electron–hole pairs. It is the same as the case of the BiTeCl/GeSe heterostructure, 34 which is crucial for the optoelectronic performance of the heterostructure.…”