Enhanced visible light absorption performance of SnS₂and SnSe₂viasurface charge transfer doping

Abstract

Enhanced visible light absorption performance of monolayer SnS2 and SnSe2via surface charge transfer doping (SCTD).

Z-Scheme photocatalytic solar-energy-to-hydrogen conversion driven by the HfS2/SiSe heterostructure

“…Since, the discovery of graphene, [14][15][16][17] two-dimensional (2D) materials have also been given much attention, and a number of monolayers have been reported. [18][19][20][21][22][23][24] Moreover, many of them were identified as being suitable photocatalytic materials for HER, and an example of such a material is antimonene nanoribbon with halogen edge passivation. 25 However, the solar-energy-to-hydrogen conversion efficiency (Z) is not satisfactory because of mutual constraints between the optical absorption and the redox potential of the band energy edges.…”

Adsorption and Gas-Sensing Performance of the Small-Molecule Gas on ZrSe2 Monolayers: A First-Principles Study

“…To ensure the computational structure’s stability and convergence of the electronic properties, the Brillouin zone is sampled by the Monkhorst–Pack method and used for all models using a grid of 4 × 4 × 1 k points with a plane-wave truncation energy set to 400 eV. The vacuum layer thickness of the ZrSe 2 monolayer is set to 15 Å in order to prevent interactions between adjacent units. In addition, for more accurate results, the maximum force, maximum displacement, and energy convergence tolerance are set to 0.02 eV/Å, 0.005 Å, and 1 × 10 –5 eV, respectively.…”

Exploration of Photocatalytic Overall Water Splitting Mechanisms in the Z-Scheme SnS2/β-As Heterostructure

“…Recently, the SnS 2 nanosheet has been sought after by many researchers due to its unique properties and has also been synthesized experimentally by various methods. , It exhibits good energy storage properties, photosensitivity, and stability and is a promising material for Li-ion batteries and photocatalysis. , Theoretical studies predicted that oxygen evolution reaction (OER) could take place in the SnS 2 nanosheet, while the hydrogen evolution reaction (HER) is not allowed . β-arsenene (β-As), a novel honeycomb configuration similar to silicene and phosphorene, was also successfully prepared in experiments. , Many composite materials, such as arsenene/C 3 N, arsenene /Ca­(OH) 2 , and arsenene/GaX (X = S, Se), have been widely studied in the field of optoelectronic devices and catalysis.…”

“…15,16 It exhibits good energy storage properties, photosensitivity, and stability and is a promising material for Li-ion batteries and photocatalysis. 17,18 Theoretical studies predicted that oxygen evolution reaction (OER) could take place in the SnS 2 nanosheet, while the hydrogen evolution reaction (HER) is not allowed. 18 β-arsenene (β-As), a novel honeycomb configuration similar to silicene and phosphorene, was also successfully prepared in experiments.…”

“…17,18 Theoretical studies predicted that oxygen evolution reaction (OER) could take place in the SnS 2 nanosheet, while the hydrogen evolution reaction (HER) is not allowed. 18 β-arsenene (β-As), a novel honeycomb configuration similar to silicene and phosphorene, was also successfully prepared in experiments. 19,20 Many composite materials, such as arsenene/C 3 N, 19 arsenene /Ca(OH) 2 , 21 and arsenene/GaX (X = S, Se), 22 have been widely studied in the field of optoelectronic devices and catalysis.…”