Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Rolling the WSSe Bilayer into Double-Walled Nanotube for the Enhanced Photocatalytic Water-Splitting Performance.

ABSTRACT: For the emerging Janus transition metal dichalcogenides (TMD) layered water-splitting photocatalysts, stacking the monolayers to form bilayers has been predicted to be an effective way to improve their photocatalytic performances. To achieve this, the stacking pattern plays an important role. In this work, by means of the density functional theory calculations, we comprehensively estimate energetical stability, light absorption and redox capacity of Janus WSSe bilayer with different stacking patterns. Unfortunately, the Janus WSSe bilayer with the most stable configuration recover the out-of-plane symmetry, which is not in favor of the photocatalytic reactions. However, rolling the Janus WSSe bilayer into double-walled nanotube could stabilize the appropriate stacking pattern with an enhanced instinct dipole moment. Moreover, the suitable band edge positions, high visible light absorbance, outstanding solar-to-hydrogen efficiency (up to 28.48%), and superior carrier separation promise the Janus WSSe double-walled nanotube the potential for the photocatalytic water-splitting application. Our studies not only predict an ideal water-splitting photocatalyst, but also propose an effective way to improve the photocatalytic performances of Janus layered materials.

SUBMITTER: Ju L

PROVIDER: S-EPMC8000809 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Au/CdS Core-Shell Sensitized Actinomorphic Flower-Like ZnO Nanorods for Enhanced Photocatalytic Water Splitting Performance.

Project description:Herein, a novel actinomorphic flower-like ZnO/Au/CdS nanorods ternary composite photocatalyst is prepared to extend the light-responsive range, reduce the photogenerated charge carriers recombination, and ultimately improve the water splitting performance. Flower-like ZnO nanorods are synthesized by a chemical bath method and the CdS nanoparticles are sensitized by successive ionic layer adsorption and reaction method. Then the Au nanoparticles as co-catalysts are introduced by the photodeposition method to modify the interface of ZnO/CdS for reducing the photogenerated electron recombination rate and further improving the performance of water splitting. Detailed characterizations and measurements are employed to analyse the crystallinity, morphology, composition, and optical properties of the flower-like ZnO/Au/CdS nanorods samples. As a result, the flower-like ZnO/Au/CdS nanorod samples present significantly enhanced water splitting performance with a high gas evolution rate of 502.2 μmol/g/h, which is about 22.5 and 1.5 times higher than that of the pure ZnO sample and ZnO/CdS sample. The results demonstrate that the flower-like ZnO/Au/CdS nanorods ternary composite materials have great application potential in photocatalytic water splitting for the hydrogen evolution field.

| S-EPMC7830535 | biostudies-literature

Ultrathin CdSe in Plasmonic Nanogaps for Enhanced Photocatalytic Water Splitting.

Project description:Enhanced plasmonic fields are a promising way to increase the efficiency of photocatalytic water splitting. The availability of atomically thin materials opens up completely new opportunities. We report photocatalytic water splitting on ultrathin CdSe nanoplatelets placed in plasmonic nanogaps formed by a flat gold surface and a gold nanoparticle. The extreme field intensity created in these gaps increases the electron–hole pair production in the CdSe nanoplatelets and enhances the plasmon-mediated interfacial electron transfer. Compared to individual nanoparticles commonly used to enhance photocatalytic processes, gap-plasmons produce several orders of magnitude higher field enhancement, strongly localized inside the semiconductor sheet thus utilizing the entire photocatalyst efficiently.

| S-EPMC4415030 | biostudies-literature

Enhanced Photocatalytic Activity of Two-Dimensional Polar Monolayer SiTe for Water-Splitting via Strain Engineering.

Project description:A two-dimensional (2D) polar monolayer with a polarization electric field can be used as a potential photocatalyst. In this work, first principle calculations were used to investigate the stability and photocatalytic properties of 2D polar monolayer SiTe as a potential promising catalyst in water-splitting. Our results show that the 2D polar monolayer SiTe possesses an indirect band gap of 2.41 eV, a polarization electric field from the (001) surface to the (001¯) surface, a wide absorption region, and a suitable band alignment for photocatalytic water-splitting. We also discovered that the photocatalytic activity of 2D polar monolayer SiTe could be effectively tuned through strain engineering. Additionally, strain engineering, particularly compressive strain in the range from -1% to -3%, can enhance the photocatalytic activity of 2D polar monolayer SiTe. Overall, our findings suggest that 2D polar monolayer SiTe has the potential to be a promising catalyst for photocatalytic water-splitting using visible light.

| S-EPMC10096314 | biostudies-literature

Enhanced photoelectrochemical water splitting performance using morphology-controlled BiVO4 with W doping.

Project description:Nanostructures exhibit numerous merits to improve the efficiency in solar-to-energy conversion. These include shortened carrier collection pathways, an increased volume ratio between depletion layer and bulk, enhanced light capture due to multiple light scattering in nanostructures, and a high surface area for photochemical conversion reactions. In this study, we describe the synthesis of morphology-controlled W-doped BiVO4 by simply tuning the solvent ratio in precursor solutions. Planar and porous W-doped BiVO4 thin films were prepared and compared. The porous film, which exhibits increased surface area and enhanced light absorption, has displayed enhanced charge separation and interfacial charge injection. Our quantitative analysis showed an enhancement of about 50% of the photoelectrochemical performance for the porous structure compared to the planar structure. This enhancement is attributed to improved light absorption (13% increase), charge separation (14% increase), and interfacial charge injection (20% increase).

| S-EPMC5727771 | biostudies-literature

Enhanced Visible Light-Driven Photocatalytic Water-Splitting Reaction of Titanate Nanotubes Sensitised with Ru(II) Bipyridyl Complex.

Project description:The ion exchange of Na+ cations was used to photosensitise titanates nanotubes (Ti-NTs) with tris(2,2'-bipyridine)ruthenium(II) cations (Ru(bpy)32+); this yielded a light-sensitised Ti-NTs composite denoted as (Ru(bpy)3)Ti-NTs, exhibiting the characteristic absorption of Ru(bpy)32+ in visible light. Incident photon-to-current efficiency (IPCE) measurements and the photocatalytic reduction of methyl viologen reaction confirmed that in the photosensitisation of the (Ru(bpy)3)Ti-NTs composite, charge transfer and charge separation occur upon excitation by ultraviolet and visible light irradiation. The photocatalytic potential of titanate nanotubes was tested in the water-splitting reaction and the H2 evolution reaction using a sacrificial agent and showed photocatalytic activity under various light sources, including xenon-mercury lamp, simulated sunlight, and visible light. Notably, in the conditions of the H2 evolution reaction when (Ru(bpy)3)Ti-NTs were submitted to simulated sunlight, they exceeded the photocatalytic activity of pristine Ti-NTs and TiO2 by a factor of 3 and 3.5 times, respectively. Also, (Ru(bpy)3)Ti-NTs achieved the photocatalytic water-splitting reaction under simulated sunlight and visible light, producing, after 4 h, 199 and 282 μmol×H2×gcat-1. These results confirm the effective electron transfer of Ru(bpy)3 to titanate nanotubes. The stability of the photocatalyst was evaluated by a reuse test of four cycles of 24 h reactions without considerable loss of catalytic activity and crystallinity.

| S-EPMC10674862 | biostudies-literature

Selective breakdown of metallic pathways in double-walled carbon nanotube networks.

Project description:Covalently functionalized, semiconducting double-walled carbon nanotubes exhibit remarkable properties and can outperform their single-walled carbon nanotube counterparts. In order to harness their potential for electronic applications, metallic double-walled carbon nanotubes must be separated from the semiconductors. However, the inner wall is inaccessible to current separation techniques which rely on the surface properties. Here, the first approach to address this challenge through electrical breakdown of metallic double-walled carbon nanotubes, both inner and outer walls, within networks of mixed electronic types is described. The intact semiconductors demonstrate a ?62% retention of the ON-state conductance in thin film transistors in response to covalent functionalization. The selective elimination of the metallic pathways improves the ON/OFF ratio, by more than 360 times, to as high as 40 700, while simultaneously retaining high ON-state conductance.

| S-EPMC4934176 | biostudies-literature

Hydrovoltaic effect-enhanced photocatalysis by polyacrylic acid/cobaltous oxide-nitrogen doped carbon system for efficient photocatalytic water splitting.

Project description:Severe carrier recombination and the slow kinetics of water splitting for photocatalysts hamper their efficient application. Herein, we propose a hydrovoltaic effect-enhanced photocatalytic system in which polyacrylic acid (PAA) and cobaltous oxide (CoO)-nitrogen doped carbon (NC) achieve an enhanced hydrovoltaic effect and CoO-NC acts as a photocatalyst to generate H2 and H2O2 products simultaneously. In this system, called PAA/CoO-NC, the Schottky barrier height between CoO and the NC interface decreases by 33% due to the hydrovoltaic effect. Moreover, the hydrovoltaic effect induced by H+ carrier diffusion in the system generates a strong interaction between H+ ions and the reaction centers of PAA/CoO-NC, improving the kinetics of water splitting in electron transport and species reaction. PAA/CoO-NC exhibits excellent photocatalytic performance, with H2 and H2O2 production rates of 48.4 and 20.4 mmol g-1 h-1, respectively, paving a new way for efficient photocatalyst system construction.

| S-EPMC10063643 | biostudies-literature

Photocatalytic Overall Water Splitting by SrTiO3 with Surface Oxygen Vacancies.

Project description:Strontium Titanate has a typical perovskite structure with advantages of low cost and photochemical stability. However, the wide bandgap and rapid recombination of electrons and holes limited its application in photocatalysis. In this work, a SrTiO3 material with surface oxygen vacancies was synthesized via carbon reduction under a high temperature. It was successfully applied for photocatalytic overall water splitting to produce clean hydrogen energy under visible light irradiation without any sacrificial reagent for the first time. The photocatalytic overall water splitting ability of the as-prepared SrTiO3-C950 is attributed to the surface oxygen vacancies that can make suitable energy levels for visible light response, improving the separation and transfer efficiency of photogenerated carriers.

| S-EPMC7767457 | biostudies-literature

Significant Impact of Exposed Facets on the BiVO<sub>4</sub> Material Performance for Photocatalytic Water Splitting Reactions.

Project description:The impact of the four predominant (010), (110), (001), and (121) exposed facets obtained experimentally for monoclinic BiVO4 on its photocatalytic performance for water splitting reactions is investigated on the basis of the hybrid density functional theory including the spin-orbit coupling. Although their electronic structure is similar, their transport and redox properties reveal anisotropic characters based on the crystal orientation and termination. The particular role of each facet in proton reduction was correlated with the surface Bi coordination number and their geometrical distribution. Our work predicts the (001) facet as the only good candidate for both HER and OER, while the (010) facet is a fitting candidate for OER only. The (110) and (121) surfaces are acceptable candidates only for OER but less potential than (001) and (010). These outcomes will efficiently conduct experimentalists for an attentive design of facet-oriented BiVO4 samples toward improving water oxidation and proton reduction.

| S-EPMC7467742 | biostudies-literature

Theoretical study on photocatalytic performance of ZnO/C<sub>2</sub>N heterostructure towards high efficiency water splitting.

Project description:The construction of van der Waals heterostructures offers effective boosting of the photocatalytic performance of two-dimensional materials. In this study, which uses the first-principles method, the electronic and absorptive properties of an emerging ZnO/C2N heterostructure are systematically explored to determine the structure's photocatalytic potential. The results demonstrate that ZnO and C2N form a type-II band alignment heterostructure with a reduced band gap, and hence superior absorption in the visible region. Furthermore, the band edge positions of a ZnO/C2N heterostructure meet the requirements for spontaneous water splitting. The ZnO/C2N heterostructure is known to possess considerably improved carrier mobility, which is advantageous in the separation and migration of carriers. The Gibbs free energy calculation confirms the high catalytic activity of the ZnO/C2N heterostructure for water-splitting reactions. All the aforementioned properties, including band gap, band edge positions, and optical absorption, can be directly tuned using biaxial lateral strain. A suitable band gap, decent band edge positions, high catalytic activity, and superior carrier mobility thus identify a ZnO/C2N heterostructure as a prominent potential photocatalyst for water splitting.

| S-EPMC9626801 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data