GaN/BS van der Waals heterostructure: A direct Z-scheme photocatalyst for overall water splitting

A direct Z-scheme BS/PtO2 van der Waals heterojunction for enhanced visible-light photocatalytic water splitting: a first-principles study

“…Research by Demirci et al 23 has shown that binary single-layer MX (M = Ga/In/B/Al, X = Se/Te/O/S) materials from the III-VI group exhibit good thermal stability. Among these, BS, as a member of this group, has recently been proposed in some theoretical studies as a component of photocatalytic water-splitting heterojunctions, such as SiC/BS 24 and BS/GaN, 25 demonstrating the potential of BS as a photocatalytic material. The monolayer BS exhibits relatively low visible light absorption capability, which is indeed a challenge that needs to be addressed in BS-based heterostructures.…”

Z-scheme Al2SeTe/GaSe and Al2SeTe/InS van der Waals heterostructures for photocatalytic water splitting

“…It can be deduced that Al 2 TeSe/GaSe and Al 2 TeSe/InS heterostructures are more suitable candidates for photocatalysts since they possess large w(H 2 ) and w(O 2 ). The calculated w(H 2 ) and w(O 2 ) are larger than those of InSe/g-CN (w(H 2 ) = 0.18 eV, w(O 2 ) = 0.72 eV)68 and GaN/BS (w(H 2 ) = 0.89 eV, w(O 2 ) = 0.35 eV),69 and comparable to InSe/MoSi 2 N 4 (w(H 2 ) = 0.68 eV, w(O 2 ) = 1.21 eV)70 and arsenene/HfS 2 (w(H 2 ) = 0.89 eV, w(O 2 ) = 1.30 eV).…”

Symmetry-breaking-induced ferroelectric HfSnX3 monolayers and their tunable Janus structures: promising candidates for photocatalysts and nanoelectronics

“…22 The DF of FP HfSnX 3 monolayers is much larger than that of most other 2D materials. [44][45][46][47] Such a large DF is not only conducive to the separation of carriers in the photocatalytic process, but can also greatly affect the oxidation reduction potential of water. Then, the band arrangements versus redox potentials of water at different pH values of FP HfSnX 3 monolayers are performed in Fig.…”