g-C3N4/SnS2 Heterostructure: a Promising Water Splitting Photocatalyst

Abstract

Graphite-like carbon nitride (g-C3N4) based heterostrutures has attracted intensive attention due to their prominent photocatalytic performance. Here, we explore the g-C3N4/SnS2 coupling effect on the electronic structures and optical absorption of the proposed g-C3N4/SnS2 heterostructure through performing extensive hybrid functional calculations. The obtained geometric structure, band structures, band edge positions and optical absorptions clearly reveal that the g-C3N4 monolayer weakly couples to SnS2 sheet, and forms a typical van der Waals heterojunction. The g-C3N4/SnS2 heterostructure can effectively harvest visible light, and its valence band maximum and conduction band minimum locate in energetically favorable positions for both water oxidation and reduction reactions. Remarkably, the charge transfer from the g-C3N4 monolayer to SnS2 sheet leads to the built-in interface polarized electric field, which is desirable for the photogenerated carrier separation. The built-in interface polarized electric field as well as the nice band edge alignment implys that the g-C3N4/SnS2 heterostructure is a promising g-C3N4 based water splitting photocatalyst with good performance.

Two-Dimensional Materials and Composites as Potential Water Splitting Photocatalysts: A Review

“…Based on the single layer fabrication and promising scalable strategy of single layer SnS 2 nanosheets of 3-atom thickness exhibiting above 38% water splitting efficacy under visible light by Yongfu Sun et al Shao-hua Chen et al further investigated the prospects of coupling SnS 2 nanosheets with g-C 3 N 4 to overcome the performance limitations of afore-mentioned research. The results were conformed with the intended improvements of better charge carrier separation and band alignment owing to the weak Vander Walls heterojunction between SnS 2 and g-C 3 N 4 [99]. Another approach using environmentally benign materials and methods was introduced by Rongchen Shen et al, in which the hybridization of Co 2 P nanoparticles formed from phosphorization technique of cobalt metal organic framework and g-C 3 N 4 nanosheets.…”

Theoretical Design of an InSe/GaTe vdW Heterobilayer: A Potential Visible-Light Photocatalyst for Water Splitting

“…van der Waals (vdW) heterostructures with the type-II band alignment are effective in improving PCE because the natural spatial separation of VBM and CBM reduces the recombination rate of charge carriers and thus increases the power conversion efficiencies. − Both experimental − and theoretical − ,− studies have demonstrated that the type-II band alignment in 2D vdW heterostructures, such as CN/CNS, g-C 3 N 4 /NLTO, WS 2 /CdS, MoS 2 /AlN­(GaN), edge-modified PNR, CdS/C 2 N, h-BN/ZrS 2 , and g-C 3 N 4 /ZrS 2 , can not only make the CBM and VBM energy levels meet the needs of redox reactions but also promote the spatial isolation of photogenerated electron–hole pairs and restrain their recombination. Moreover, strong interlayer coupling of charge carriers, long-lived interlayer excitons, and ultrafast charge transfer between layers have been verified in experiments, − which will favor the interlayer transfer of the photoexcited carriers.…”

One‐pot synthesis of SnS 2 Nanosheets supported on g‐C 3 N 4 as high capacity and stable cycling anode for sodium‐ion batteries

“…In addition, the formation of the self-induced IEF at the heterojunction interface of two components also accelerated electronic and ionic conduction. According to a higher Fermi level (E f ) of g-C 3 N 4 , [79][80][81] the electrons will transfer from g-C 3 N 4 to SnS 2 until their E f values reach to a balance state. Consequently, at the SnS 2 @g-C 3 N 4 heterointerface, the charge depletion on g-C 3 N 4 and charge accumulation on SnS 2 induce an IEF with an electrical field direction from g-C 3 N 4 to SnS 2.…”