Layer-dependent photocatalysts of GaN/SiC-based multilayer van der Waals heterojunctions for hydrogen evolution

Abstract

The development of non-precious, high-performance and environmentally friendly wide band gap semiconductor composite photocatalysts is highly desirable. Here we report two-dimensional (2D) GaN/SiC-based multilayer van der Waals heterostructures for hydrogen...

Construction of 2D Bismuth Silicate Heterojunctions from Natural Mineral toward Cost-Effective Photocatalytic Reduction of CO2

“…In order to unravel the mechanism of photocatalytic CO 2 reduction beyond experimental results, band structures of BiO 2– x and Bi 12 SiO 20 are obtained from the DFT calculation in Figure . Figure a,b shows that the theoretical calculated E g of Bi 12 SiO 20 and BiO 2– x is 2.39 and 1.18 eV, respectively, which are narrower than the above experiment results, presumably due to the restriction of generalized gradient approximation . The calculated density of states (DOS) of Bi 12 SiO 20 is shown in Figure c, which shows a half-metallic characteristic, essentially originating from the O 2p, Si 2p, and Bi 4p states.…”

“…Figure 12a,b shows that the theoretical calculated E g of Bi 12 SiO 20 and BiO 2−x is 2.39 and 1.18 eV, respectively, which are narrower than the above experiment results, presumably due to the restriction of generalized gradient approximation. 45 The calculated density of states (DOS) of Bi 12 SiO 20 is shown in Figure 12c, which shows a half-metallic characteristic, essentially originating from the O 2p, Si 2p, and Bi 4p states. Figure 12d Figure 13a shows the before-contact configuration of the band structures of BiO 2−x and Bi 12 SiO 20 .…”

Porous Silicon Carbide (SiC): A Chance for Improving Catalysts or Just Another Active-Phase Carrier?

“…Their study therefore provides a route to follow for the experimental synthesis of GaN/SiC materials for efficient water splitting. 642 A completely different approach to produce hydrogen is represented by the hydrolysis of lightweight inorganic hydrides. Among them, ammonia borane (AB, NH 3 BH 3 ) is considered as one of the most promising candidates because of its large hydrogen content (19.6 wt %) that allows a theoretical release of 3 mol of H 2 per AB.…”

“…They demonstrated that the layers’ number plays a key role in modulating the heterostructure band gap through interlayer interaction and lattice constant variation. Their study therefore provides a route to follow for the experimental synthesis of GaN/SiC materials for efficient water splitting …”

Enhancing the photocatalytic hydrogen generation performance and strain regulation of the vertical GeI2/C2N van der Waals heterostructure: insights from first-principles study

“…The two aromatic rings are joined together by pyrazine rings that are made up of a six-membered D 2h point group with two N atoms facing one another. Recently, carbon nitride materials, including C 2 N, C 6 N 6 and C 3 N 4 , 18,19 have been identified as potential photocatalysts due to their good biocompatibility, non-toxicity, abundance and low cost. C 2 N has high water permeability, superior chemical activity and better visible light absorption than the other carbon nitride materials.…”