☆ 4.5 Article

High hydrogen production in two-dimensional GaTe/ZnI2 type-II heterostructure for water splitting

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2023)

Related references

Note: Only part of the references are listed.

Article Materials Science, Multidisciplinary

Prediction of new 2D Hf2Br2N2 monolayer as a promising candidate for photovoltaic applications

Ali Obies Muhsen Almayyali et al.

Summary: In this study, the structural and optoelectronic properties of pristine and strained hexagonal Hf2Br2N2 monolayer were investigated using first-principles calculations. The monolayer was found to have dynamic and thermal stabilities. The unstrained Hf2Br2N2 monolayer is a semiconducting material with an indirect bandgap, and biaxial strain can effectively adjust the energy gap. The results suggest potential applications of the Hf2Br2N2 monolayer in photodetectors and photovoltaics.

MATERIALS CHEMISTRY AND PHYSICS (2023)

Add to Collection

Article Chemistry, Physical

Tunable properties of ZnSe/graphene heterostructure as a promising candidate for photo/electro-catalyst applications

Yuefei Zhang et al.

Summary: The graphene-based Van der Waals heterostructures demonstrate great potential for the next generation of photoelectronic nanodevices. ZnSe is found to be a direct semiconductor with high electron mobility and the potential to achieve Schottky to Ohmic contact transformation. Furthermore, under light irradiation, hydrogen and oxygen evolution reactions can occur spontaneously in both acidic and alkaline media. Introducing 3d transition metal atoms significantly reduces the overpotential for the HER process of ZnSe monolayer.

APPLIED SURFACE SCIENCE (2022)

Add to Collection

Article Physics, Condensed Matter

Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: a first-principles study

A. Bafekry et al.

Summary: In this study, the structural, mechanical, electronic, and optical properties of the two-dimensional biphenylene network (BPN) were investigated using density-functional theory-based first-principles calculations. The BPN structure was found to consist of three rings and exhibit strong bonding between the carbon atoms. The mechanical properties showed brittleness, and the electronic properties indicated a metallic behavior with no band gap. The optical properties revealed insulating behavior along one direction and metallic behavior in the other two directions.

JOURNAL OF PHYSICS-CONDENSED MATTER (2022)

Add to Collection

Article Chemistry, Inorganic & Nuclear

Strain effect on the electronic and photocatalytic properties of GaN-MSSe (M=Mo, W)

Saheefa Rasheed et al.

Summary: The application of strain is an important technique in tuning the physical properties of materials for renewable energy resources and nanoelectronics. The production of hydrogen through water splitting is a possible solution to the energy crisis, and the development of low-cost and efficient photocatalysts is highly desired. Through first principle investigation, the electronic properties and band alignment of GaN-MoSSe and GaN-WSSe heterostructures have been calculated, revealing Type-II band alignments and the potential for Type-III band alignment in GaN-MoSSe with compressional strain. The photocatalytic behavior of these systems indicates that GaN-WSSe is energetically favorable for water splitting at pH=0.

JOURNAL OF SOLID STATE CHEMISTRY (2022)

Add to Collection

Article Nanoscience & Nanotechnology

Puckered Penta-like PdPX (X = O, S, Te) Semiconducting Nanosheets: First-Principles Study of the Mechanical, Electro-Optical, and Photocatalytic Properties

Asadollah Bafekry et al.

Summary: The atomic, electronic, optical, and mechanical properties of penta-like two-dimensional PdPX (X = O, S, Te) nanosheets were investigated. All three PdPX nanosheets showed dynamic and mechanical stability. PdPX nanosheets exhibited semiconducting characteristics, with PdPTe being the best material for visible-light photocatalytic water splitting.

ACS APPLIED MATERIALS & INTERFACES (2022)

Add to Collection

Article Chemistry, Physical

Ab-initio-driven prediction of puckered penta-like PdPSeX (X=O, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties

A. Bafekry et al.

Summary: A systematic investigation of puckered penta-like PdPSeX Janus monolayers reveals their stable structure and good performance in light absorption and photocatalytic water splitting, providing valuable insights for further experimental and theoretical studies.

APPLIED SURFACE SCIENCE (2022)

Add to Collection

Article Chemistry, Physical

Type-II CdS/PtSSe heterostructures used as highly efficient water-splitting photocatalysts

Guangzhao Wang et al.

Summary: The design of two-dimensional heterostructures is an effective way to modify the properties of 2D materials. In this study, CdS/PtSSe heterostructures were investigated for their photocatalytic activity using first-principles calculations. The results showed that the small lattice mismatches and negative interface formation energies made the CdS/PtSSe heterostructures feasible, with small bandgaps allowing them to efficiently absorb visible light. The stacking configurations had little effect on the electronic structures, but the contact sides could switch between type-I and type-II heterostructures. The type-II CdS/PtSSe heterostructures promoted the separation of photogenerated carriers, while the band edges fulfilled the thermodynamic requirements for photocatalytic water-splitting, achieving solar-to-hydrogen efficiencies of up to 37.5%.

APPLIED SURFACE SCIENCE (2022)

Add to Collection

Article Chemistry, Physical

Two-dimensional XY monolayers (X = Al, Ga, In; Y = N, P, As) with a double layer hexagonal structure: A first-principles perspective

M. Faraji et al.

Summary: In this paper, the structural, mechanical, optical, and electronic properties of novel two-dimensional XY (X = Al, Ga, In; Y = N, P, As) monolayers in the double layer hexagonal structure (DLHS) were systematically investigated using first-principles calculations. The results showed that most XY monolayers were stable and had indirect semiconductor characteristics, except for GaP monolayer which was unstable. InN and AlAs monolayers were capable of absorbing visible light spectra.

APPLIED SURFACE SCIENCE (2022)

Add to Collection

Article Physics, Applied

Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations

A. Bafekry et al.

Summary: The research investigated the optical, structural, mechanical, and electronic properties of the C6N7 monolayer using density functional theory (DFT) method. It was found that the shear modulus and Young's modulus of C6N7 are smaller compared to graphene, with a significant Poisson's ratio. The bandgap of C6N7 is 1.2 (1.97) eV, and its electronic dispersion is almost isotropic, making it more active in the ultraviolet region.

APPLIED PHYSICS LETTERS (2021)

Add to Collection

Article Chemistry, Physical

External uniaxial compressive strain induced built-in electric field in bilayer two-dimensional As2S3 for photocatalytic water splitting: A first-principles study

Xuefei Liu et al.

Summary: The study found that applying compressive uniaxial strain on mono- and bilayer As2S3 can adjust the electronic and optical properties, making 2D As2S3 suitable for photocatalytic water splitting in the ultraviolet region. The built-in electric field helps separate photogenerated carriers and improve photocatalytic efficiency.

APPLIED SURFACE SCIENCE (2021)

Add to Collection

Article Materials Science, Multidisciplinary

Manipulation of band alignment in InSe/GaTe and InSe/InS van der Waals heterostructures

Tongwei Li et al.

Summary: The study shows that vdW heterostructures based on 2D III-VI chalcogenides have tunable band alignment and band gap, with important potential applications in optoelectronic devices.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Add to Collection

Article Nanoscience & Nanotechnology

Two-dimensional ZnI2 monolayer as a photocatalyst for water splitting and improvement its electronic and optical properties by strains

Ali Obies Muhsen Almayyali et al.

Summary: The research demonstrates that ZnI2 monolayer exhibits stability and semiconductor properties under biaxial strain, suitable for applications in reactions like water splitting, and its optical properties are significantly enhanced under the strain effect.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2021)

Add to Collection

Article Chemistry, Physical

Strain engineering of Janus ZrSSe and HfSSe monolayers and ZrSSe/HfSSe van der Waals heterostructure

S. Ahmad et al.

Summary: The study demonstrates that ZrSSe and HfSSe monolayers can be transformed into direct bandgap semiconductors through strain, while ZrSSe/HfSSe vdW heterostructure shows high photocatalytic performance under tensile strain. The stability and electronic structure in specific configurations significantly influence the material properties, highlighting the potential for practical applications in catalysis and optoelectronics.

CHEMICAL PHYSICS LETTERS (2021)

Add to Collection

Article Physics, Applied

Tuning optical and electronic properties of 2D ZnI2/CdS heterostructure by biaxial strains for optical nanodevices: A first-principles study

Mohammed Jassim Abdulameer et al.

Summary: The structural and optoelectronic properties of a ZnI2/CdS vdW heterostructure under biaxial strain were studied using density functional theory. The heterostructure was found to be dynamically and thermally stable, exhibiting type-II band alignment and a transition from indirect to direct bandgap with increasing compressive strain. The optical properties were improved under strain, with absorption coefficient reaching 10(5) cm(-1) and an expansion of absorption capacity observed. This study provides insights for enhancing optical efficiency in photocatalytic and photovoltaic devices.

JOURNAL OF APPLIED PHYSICS (2021)

Add to Collection

Article Physics, Applied

Prediction of two-dimensional bismuth-based chalcogenides Bi2X3(X = S, Se, Te) monolayers with orthorhombic structure: a first-principles study

A. Bafekry et al.

Summary: This study explores the crystal structure, stability, electronic, and optical properties of orthorhombic Bi2X3 (X = S, Se, Te) monolayers using first-principles calculations. The results suggest potential applications for these materials in nanoelectronic and optoelectronic devices.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2021)

Add to Collection

Article Chemistry, Physical

Electronic, optical and thermoelectric properties of a novel two-dimensional SbXY (X = Se, Te; Y = Br, I) family: ab initio perspective

A. Bafekry et al.

Summary: Recent research has explored the atomic structure, stability, and properties of SbXY (X = Se, Te; Y = Br, I) monolayers through density functional calculations, revealing their stability, semiconductor nature, and potential for energy conversion applications. Additionally, the monolayers exhibit the Rashba effect and are visible-light active, suggesting promising new electronic, optical, and energy conversion systems.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Add to Collection

Article Chemistry, Physical

Two-dimensional FeTe2 and predicted Janus FeXS (X: Te and Se) monolayers with intrinsic half-metallic character: tunable electronic and magnetic properties via strain and electric field

A. Bafekry et al.

Summary: The study explores the lattice, dynamic stability, electronic and magnetic properties of FeTeS and FeSeS Janus monolayers using density functional theory calculations, validating their potential as candidate materials for spin filter applications.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Add to Collection

Article Chemistry, Physical

Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: a first-principles study

A. Bafekry et al.

Summary: Based on density functional theory approach, this work investigates the electronic, mechanical, and optical properties of AlSb and InSb monolayers with double-layer honeycomb structures. The results show that these monolayers are stable yet brittle, with AlSb having a direct bandgap and InSb exhibiting metallic character. Additionally, both monolayers can absorb ultraviolet light, suggesting potential applications in novel optical and electronic usages.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Add to Collection

Article Chemistry, Physical

Stacking impact on the optical and electronic properties of two-dimensional MoSe2/PtS2 heterostructures formed by PtS2 and MoSe2 monolayers

Ali Obies Muhsen Almayyali et al.

CHEMICAL PHYSICS (2020)

Add to Collection

Article Physics, Condensed Matter

Modulation of electronic and optical properties of GaTe monolayer by biaxial strain and electric field

Vo T. T. Vi et al.

SUPERLATTICES AND MICROSTRUCTURES (2020)

Add to Collection

Article Physics, Condensed Matter

The Electronic, Optical, and Thermoelectric Properties of Monolayer PbTe and the Tunability of the Electronic Structure by External Fields and Defects

Asad Bafekry et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2020)

Add to Collection

Article Chemistry, Physical

GaTe/CdS heterostructure with tunable electronic properties via external electric field and biaxial strain

Yifan Jia et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Two-Dimensional CdX/C2N (X = S, Se) Heterostructures as Potential Photocatalysts for Water Splitting: A DFT Study

M. R. Ashwin Kishore et al.

ACS OMEGA (2020)

Add to Collection

Article Chemistry, Physical

First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate

Mohammed M. Obeid et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Add to Collection

Article Chemistry, Physical

2D Triphosphides: SbP3 and GaP3 monolayer as promising photocatalysts for water splitting

Sai Yao et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

Add to Collection

Article Chemistry, Physical

Solar Energy Harvesting in Type II van der Waals Heterostructures of Semiconducting Group III Monochalcogenide Monolayers

Ashima Rawat et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Add to Collection

Article Chemistry, Physical

Modulation of electronic properties of monolayer InSe through strain and external electric field

Doan Q. Khoa et al.

CHEMICAL PHYSICS (2019)

Add to Collection

Article Chemistry, Multidisciplinary

III-VI van der Waals heterostructures for sustainable energy related applications

Jianhui Chen et al.

NANOSCALE (2019)

Add to Collection

Article Chemistry, Physical

Exceptional visible-light activities of g-C3N4 nanosheets dependent on the unexpected synergistic effects of prolonging charge lifetime and catalyzing H-2 evolution with H2O

Xuliang Zhang et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2018)

Add to Collection

Article Chemistry, Physical

Efficient Carrier Separation and Band Structure Tuning of Two-Dimensional C2N/GaTe van der Waals Heterostructure

Yujie Bai et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Add to Collection

Article Physics, Condensed Matter

Doping effect on monolayer MoS2 for visible light dye degradation - A DFT study

Silpa Cheriyan et al.

SUPERLATTICES AND MICROSTRUCTURES (2018)

Add to Collection

Article Materials Science, Multidisciplinary

Intriguing electronic structures and optical properties of two-dimensional van der Waals heterostructures of Zr2CT2 (T = O, F) with MoSe2 and WSe2

Gul Rehman et al.

JOURNAL OF MATERIALS CHEMISTRY C (2018)

Add to Collection

Review Crystallography

Production Methods of Van der Waals Heterostructures Based on Transition Metal Dichalcogenides

Haimei Qi et al.

CRYSTALS (2018)

Add to Collection

Article Nanoscience & Nanotechnology

Strain-Tunable Electronic Properties and Band Alignments in GaTe/C2N Heterostructure: a First-Principles Calculation

Xiao-Huan Li et al.

NANOSCALE RESEARCH LETTERS (2018)

Add to Collection

Article Chemistry, Physical

The effect of strain and functionalization on the optical properties of borophene

A. Mogulkoc et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

Add to Collection

Article Chemistry, Physical

Insights into the mechanism of the enhanced visible-light photocatalytic activity of black phosphorus/BiVO4 heterostructure: a first-principles study

Yuxuan Chen et al.

JOURNAL OF MATERIALS CHEMISTRY A (2018)

Add to Collection

Article Chemistry, Physical

Tunable optical and electronic properties of gallium telluride monolayer for photovoltaic absorbers and ultraviolet detectors

Shurooq Sabah Abed Al-Abbas et al.

CHEMICAL PHYSICS LETTERS (2018)

Add to Collection

Article Chemistry, Physical

A Particulate Photocatalyst Water-Splitting Panel for Large-Scale Solar Hydrogen Generation

Yosuke Goto et al.

JOULE (2018)

Add to Collection

Article Chemistry, Physical

Tunable Structural, Electronic, and Optical Properties of Layered Two-Dimensional C2N and MoS2 van der Waals Heterostructure as Photovoltaic Material

Zhaoyong Guan et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Add to Collection

Article Chemistry, Multidisciplinary

Optical properties of graphene, silicene, germanene, and stanene from IR to far UV - A first principles study

Rita John et al.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2017)

Add to Collection

Article Chemistry, Multidisciplinary

Large-scale 2D PbI2 monolayers: experimental realization and their indirect band-gap related properties

Mianzeng Zhong et al.

NANOSCALE (2017)

Add to Collection

Article Chemistry, Physical

Novel electronic and optical properties of ultrathin silicene/arsenene heterostructures and electric field effects

Huabing Shu et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Add to Collection

Article Materials Science, Multidisciplinary

Lateral heterostructures of monolayer group-IV monochalcogenides: band alignment and electronic properties

Kai Cheng et al.

JOURNAL OF MATERIALS CHEMISTRY C (2017)

Add to Collection

Article Materials Science, Multidisciplinary

Strain-mediated type-I/type-II transition in MXene/Blue phosphorene van der Waals heterostructures for flexible optical/electronic devices

Zhonglu Guo et al.

JOURNAL OF MATERIALS CHEMISTRY C (2017)

Add to Collection

Article Multidisciplinary Sciences

Achieving highly uniform two-dimensional PbI2 flakes for photodetectors via space confined physical vapor deposition

Yaguang Wang et al.

SCIENCE BULLETIN (2017)

Add to Collection

Article Chemistry, Multidisciplinary

In-Plane Optical Anisotropy of Layered Gallium Telluride

Shengxi Huang et al.

ACS NANO (2016)

Add to Collection

Review Chemistry, Multidisciplinary

Particle suspension reactors and materials for solar-driven water splitting

David M. Fabian et al.

ENERGY & ENVIRONMENTAL SCIENCE (2015)

Add to Collection

Article Chemistry, Multidisciplinary

High-performance flexible photodetectors based on GaTe nanosheets

Zhenxing Wang et al.

NANOSCALE (2015)

Add to Collection

Article Chemistry, Physical

Epitaxial growth of two-dimensional stanene

Feng-feng Zhu et al.

NATURE MATERIALS (2015)

Add to Collection

Article Materials Science, Multidisciplinary

Monolayer II-VI semiconductors: A first-principles prediction

Hui Zheng et al.

PHYSICAL REVIEW B (2015)

Add to Collection

Article Chemistry, Multidisciplinary

High-Sensitivity Photodetectors Based on Multilayer GaTe Flakes

Fucai Liu et al.

ACS NANO (2014)

Add to Collection

Article Chemistry, Multidisciplinary

Ultrafast Charge Separation and Indirect Exciton Formation in a MoS2-MoSe2 van der Waals Heterostructure

Frank Ceballos et al.

ACS NANO (2014)

Add to Collection

Article Chemistry, Physical

Design of High-Efficiency Visible-Light Photocatalysts for Water Splitting: MoS2/AlN(GaN) Heterostructures

Jiamin Liao et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

Add to Collection

Article Chemistry, Multidisciplinary

Tuning Interlayer Coupling in Large-Area Heterostructures with CVD-Grown MoS2 and WS2 Monolayers

Sefaattin Tongay et al.

NANO LETTERS (2014)

Add to Collection

Article Chemistry, Physical

Towards the ionic limit of two-dimensional materials: monolayer alkaline earth and transition metal halides

Shi-Hsin Lin et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Add to Collection

Article Chemistry, Physical

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

Houlong L. Zhuang et al.

CHEMISTRY OF MATERIALS (2013)

Add to Collection

Article Chemistry, Multidisciplinary

Technical and economic feasibility of centralized facilities for solar hydrogen production via photocatalysis and photoelectrochemistry

Blaise A. Pinaud et al.

ENERGY & ENVIRONMENTAL SCIENCE (2013)

Add to Collection

Article Crystallography

Structure and microstructure of GaTe crystals grown by High-Pressure vertical zone melting

N. N. Kolesnikov et al.

JOURNAL OF CRYSTAL GROWTH (2013)

Add to Collection

Article Chemistry, Multidisciplinary

Quantitative Determination of the Band Gap of WS2 with Ambipolar Ionic Liquid-Gated Transistors

Daniele Braga et al.

NANO LETTERS (2012)

Add to Collection

Article Physics, Multidisciplinary

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon

Patrick Vogt et al.

PHYSICAL REVIEW LETTERS (2012)

Add to Collection

Article Multidisciplinary Sciences

Peierls distortion mediated reversible phase transition in GeTe under pressure

Zhimei Sun et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)

Add to Collection

Article Materials Science, Multidisciplinary

Simulation of Electronic Structure of Aluminum Phosphide Nanocrystals Using Ab Initio Large Unit Cell Method

Hamad R. Jappor et al.

ADVANCES IN MATERIALS SCIENCE AND ENGINEERING (2012)

Add to Collection

Review Chemistry, Physical

Hydrogen Production from Semiconductor-based Photocatalysis via Water Splitting

Chi-Hung Liao et al.

CATALYSTS (2012)

Add to Collection

Article Physics, Multidisciplinary

Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium

Cheng-Cheng Liu et al.

PHYSICAL REVIEW LETTERS (2011)

Add to Collection

Article Physics, Applied

Epitaxial growth of a silicene sheet

Boubekeur Lalmi et al.

APPLIED PHYSICS LETTERS (2010)

Add to Collection

Article Materials Science, Multidisciplinary

Structural, elastic, and lattice dynamical properties of Germanium diiodide (GeI2)

H. Ozisik et al.

COMPUTATIONAL MATERIALS SCIENCE (2010)

Add to Collection

Article Chemistry, Multidisciplinary

Properties of Fluorinated Graphene Films

Jeremy T. Robinson et al.

NANO LETTERS (2010)

Add to Collection

Article Physics, Multidisciplinary

Growth and Structure of Crystalline Silica Sheet on Ru(0001)

D. Loeffler et al.

PHYSICAL REVIEW LETTERS (2010)

Add to Collection

Article Multidisciplinary Sciences

Irreversible climate change due to carbon dioxide emissions

Susan Solomon et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

Add to Collection

Article Materials Science, Multidisciplinary

Graphane: A two-dimensional hydrocarbon

Jorge O. Sofo et al.

PHYSICAL REVIEW B (2007)

Add to Collection

Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)

Add to Collection

Article Crystallography

First principles methods using CASTEP

SJ Clark et al.

ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)

Add to Collection

Article Multidisciplinary Sciences

Electric field effect in atomically thin carbon films

KS Novoselov et al.

SCIENCE (2004)

Add to Collection

Article Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential

J Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Add to Collection

Article Physics, Condensed Matter

First-principles simulation: ideas, illustrations and the CASTEP code

MD Segall et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2002)

Add to Collection

© Peeref 2019-2024. All rights reserved.