SnP₂S₆ monolayer: a promising 2D semiconductor for photocatalytic water splitting

Abstract

Schematics for the exfoliation of the SnP2S6 monolayer from its bulk counterpart and its application in solar driven water splitting.

β-SnS/GaSe heterostructure: a promising solar-driven photocatalyst with low carrier recombination for overall water splitting

“…Following the previous reports, 46–48 we finally calculate the Gibbs free energy profiles of the OER and HER involved in photocatalytic water splitting on the GaSe and β-SnS surfaces, respectively. Fig.…”

“…To address the photocatalytic water splitting, the Gibbs free energy profiles of the OER and HER processes on the GaSe and β-SnS surfaces, respectively, are calculated by adopting the method from previous reports, 46–48 see the ESI †…”

Inartificial Two-Dimensional Ge4Se9 Janus Structures with Appropriate Direct Band Gaps and Intrinsic Polarization Boosted Charge Separation for Photocatalytic Water Splitting

“…Consequently, triple-layered and four-layered Ge 4 Se 9 structures also have satisfactory edge alignment for water splitting. Although the VBM levels are far from the water oxidation potential, they might be tuned by the strain as reported in the literature. ,, …”

“…In an early study, g-C 3 N 4 and TiO 2 were demonstrated to be two of the most representative photocatalysts. , Recently, some renowned 2D materials, such as transition-metal dichalcogenides, , metal phosphorus trichalcogenides, , and group III metal mono­chal­co­genides MX (M = Ga, In; X = S, Se), GeX (X = S, Se), and MXene, have been identified as promising photocatalysts for water splitting. Meanwhile, some emerging 2D materials, such as SnN 3 , SiP 2 , MOI (M = Ga, In), pSiX (X = P, As), XP 3 (X = Sb, Ga), PdSe 2 , SnP 2 S 6 , P 4 O 2 , XAs (X = Si, Ge, Sn), and MgX 2 Se 4 (X = Al, Ga), also have been predicted to hold great potential for photocatalytic water splitting as well. In particular, Zhang et al screened over 5000 inorganic compounds from the Materials Project database and successfully proposed 36 candidate 2D structures with validating stability and appropriate band edge positions for water splitting .…”

First-principles study on optoelectronic properties of Cs2PbX4–PtSe2 van der Waals heterostructures

“…[15][16][17][18][19][20] Twodimensional materials, such as graphene, MXene and black phosphorus (BP) have unique electronic, thermal, mechanical and photonic properties, which are widely used as functional layers for 2D perovskite photo-electric equipment. [21][22][23][24][25][26][27] Especially, twodimensional transition metal dichalcogenides (TMDs) as the functional layers can signicantly improve the efficiency of 2D inorganic halide perovskite optoelectronic devices. 28,29 As an emerging TMDs material, PtSe 2 exhibits excellent optical, electrical, stabilized and mechanical properties.…”