Direct Z-scheme arsenene/HfS2 van der Waals heterojunction for overall photocatalytic water splitting: First-principles study

DFT investigation on direct Z-scheme photocatalyst for overall water splitting: MoTe2/BAs van der Waals heterostructure

(2021) Moyun Cao et al.   APPLIED SURFACE SCIENCE

Passivated B-O, B-S codoping to improve the photocatalytic efficiency in C2N monolayer: First-principles study

(2020) Ying Zhou et al.   PHYSICS LETTERS A

Ultra-low lattice thermal conductivity and giant phonon–electric field coupling in hafnium dichalcogenide monolayers

(2020) Dimple et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic and optical properties of janus MoSSe and ZnO vdWs heterostructures

(2020) Zhen Cui et al.   SUPERLATTICES AND MICROSTRUCTURES

Transforming Photocatalytic g‐C 3 N 4 /MoSe 2 into a Direct Z‐Scheme System via Boron‐Doping: A Hybrid DFT Study

(2020) Changzhi Ai et al.   ChemSusChem

Janus XSSe/SiC (X = Mo, W) van der Waals heterostructures as promising water-splitting photocatalysts

(2020) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

A type-II GaSe/HfS2 van der Waals heterostructure as promising photocatalyst with high carrier mobility

(2020) Mohammed M. Obeid et al.   APPLIED SURFACE SCIENCE

An efficient Z-scheme (Cr, B) codoped g-C3N4/BiVO4 photocatalyst for water splitting: A hybrid DFT study

(2020) Qi Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Theoretical analysis of the HfS2 monolayer electronic structure and optical properties under vertical strain effects

(2020) D.M. Hoat et al.   OPTIK

Strain Engineering in 2D Material‐Based Flexible Optoelectronics

(2020) Junli Du et al.   Small Methods

Investigation of the electronic structure of two-dimensional GaN/Zr2CO2 hetero-junction: Type-II band alignment with tunable bandgap

(2020) Xue Ting Zhu et al.   APPLIED SURFACE SCIENCE

Direct Z-scheme heterojunction of ZnO/MoS2 nanoarrays realized by flowing-induced piezoelectric field for enhanced sunlight photocatalytic performances

(2020) Yongming Fu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Bilayer MoTe2/XS2 (X = Hf,Sn,Zr) heterostructures with efficient carrier separation and light absorption for photocatalytic water splitting into hydrogen

(2020) Biao Wang et al.   APPLIED SURFACE SCIENCE

A water splitting photocatalysis: Blue phosphorus/g-GeC van der Waals heterostructure

(2019) Xu Gao et al.   APPLIED PHYSICS LETTERS

Type-II InSe/g-C3N4 Heterostructure as a High-Efficiency Oxygen Evolution Reaction Catalyst for Photoelectrochemical Water Splitting

(2019) C. He et al.   Journal of Physical Chemistry Letters

Enhanced photocatalytic performance of ZnO monolayer for water splitting via biaxial strain and external electric field

(2019) Hongfei Chen et al.   APPLIED SURFACE SCIENCE

Monolayer, Bilayer, and Heterostructure Arsenene as Potential Anode Materials for Magnesium-Ion Batteries: A First-Principles Study

(2019) Xiao-Juan Ye et al.   Journal of Physical Chemistry C

A Highly Active Three-Dimensional Z-scheme ZnO/Au/g-C3N4 Photocathode for Efficient Photoelectrochemical Water Splitting

(2019) Peng Wen et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Atomic Layer Deposition of Emerging 2D Semiconductors, HfS2 and ZrS2, for Optoelectronics

(2019) Miika Mattinen et al.   CHEMISTRY OF MATERIALS

First-Principles Study on Transition-Metal Dichalcogenide/BSe van der Waals Heterostructures: A Promising Water-Splitting Photocatalyst

(2019) Yi Luo et al.   Journal of Physical Chemistry C

Broken-Gap Type-III Band Alignment in WTe2/HfS2 van der Waals Heterostructure

(2019) Chengan Lei et al.   Journal of Physical Chemistry C

Identifying Copper Vacancies and Their Role in the CuO Based Photocathode for Water Splitting

(2019) Zhiliang Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bilayer MoSe2/HfS2 Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst

(2019) Biao Wang et al.   Nanomaterials

Influence of defects and dopants on the sensitivity of arsenene towards HCN

(2019) Qingxiao Zhou et al.   APPLIED SURFACE SCIENCE

Two-dimensional ZnO/BSe van der waals heterostructure used as a promising photocatalyst for water splitting: A DFT study

(2019) Kai Ren et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Theoretical Investigation of Monolayer RhTeCl Semiconductors as Photocatalysts for Water Splitting

(2019) Yiran Ying et al.   Journal of Physical Chemistry C

Atomically Thin p–n/p–n Nanodevices by Surface Charge Transfer Doping of Arsenene/Antimonene Heterostructures

(2018) Lei Zhang et al.   ACS Applied Materials & Interfaces

Role of CuO in the modification of the photocatalytic water splitting behavior of TiO 2 nanotube thin films

(2018) Juliana Ferreira de Brito et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

DFT investigation on two-dimensional GeS/WS 2 van der Waals heterostructure for direct Z-scheme photocatalytic overall water splitting

(2018) Lin Ju et al.   APPLIED SURFACE SCIENCE

Selective Direct Growth of Atomic Layered HfS2 on Hexagonal Boron Nitride for High Performance Photodetectors

(2018) Denggui Wang et al.   CHEMISTRY OF MATERIALS

Magnetism in the strained ordered phases of Pt x Fe 1-x and Pt x Co 1-x ( x =0.25, 0.5, and 0.75)

(2018) I.G. Shuttleworth   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Elastic properties and breaking strengths of GaS, GaSe and GaTe nanosheets

(2018) Basant Chitara et al.   Nanoscale

Tuning electronic and optical properties of arsenene/C3N van der Waals heterostructure by vertical strain and external electric field

(2018) Hui Zeng et al.   NANOTECHNOLOGY

MoS2/ZnO van der Waals heterostructure as a high-efficiency water splitting photocatalyst: a first-principles study

(2018) Sake Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Efficient Redox-Mediator-Free Z-Scheme Water Splitting Employing Oxysulfide Photocatalysts under Visible Light

(2018) Song Sun et al.   ACS Catalysis

Electronic and mechanical responses of two-dimensional HfS2, HfSe2, ZrS2, and ZrSe2 from first-principles

(2018) Mohammad Salavati   Frontiers of Structural and Civil Engineering

Direct Z-scheme photocatalytic overall water splitting on 2D CdS/InSe heterostructures

(2018) Yingcai Fan et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts

(2018) Man Qiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Strain engineering in two-dimensional nanomaterials beyond graphene

(2018) Shikai Deng et al.   Nano Today

Electronic and optical properties of heterostructures based on transition metal dichalcogenides and graphene-like zinc oxide

(2018) Sake Wang et al.   Scientific Reports

A core–satellite structured Z-scheme catalyst Cd0.5Zn0.5S/BiVO4 for highly efficient and stable photocatalytic water splitting

(2018) Chao Zeng et al.   Journal of Materials Chemistry A

Electronic and Vibrational Properties of TiS2, ZrS2, and HfS2: Periodic Trends Studied by Dispersion-Corrected Hybrid Density Functional Methods

(2018) Nina Glebko et al.   Journal of Physical Chemistry C

All-solid-state Z-scheme system of NiO/CDs/BiVO4 for visible light-driven efficient overall water splitting

(2018) Chang'an Liu et al.   CHEMICAL ENGINEERING JOURNAL

Construction of MnO2/Monolayer g-C3N4 with Mn vacancies for Z-scheme overall water splitting

(2018) Zhao Mo et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Tuning electronic properties of InSe/arsenene heterostructure by external electric field and uniaxial strain

(2018) Zifeng Xie et al.   APPLIED SURFACE SCIENCE

Gate-Tunable Electronic Structure of Black Phosphorus/HfS2 P–N van der Waals Heterostructure with Uniformly Anisotropic Band Dispersion

(2017) Jiaduo Zhu et al.   Journal of Physical Chemistry C

High-yield synthesis and liquid-exfoliation of two-dimensional belt-like hafnium disulphide

(2017) Harneet Kaur et al.   Nano Research

Compound Homojunction:Heterojunction Reduces Bulk and Interface Recombination in ZnO Photoanodes for Water Splitting

(2017) Ning Wang et al.   Small

Strain engineering of H/transition metal systems

(2017) I.G. Shuttleworth   SURFACE SCIENCE

Tunable electronic properties of arsenene/GaS van der Waals heterostructures

(2017) Xiao-Hua Li et al.   RSC Advances

Predicting Single-Layer Technetium Dichalcogenides (TcX2, X = S, Se) with Promising Applications in Photovoltaics and Photocatalysis

(2016) Yalong Jiao et al.   ACS Applied Materials & Interfaces

Halogenated arsenenes as Dirac materials

(2016) Wencheng Tang et al.   APPLIED SURFACE SCIENCE

Non-linear modelling of the effects of strain on transition metal surfaces

(2016) I.G. Shuttleworth   CHEMICAL PHYSICS LETTERS

Direct Synthesis and Practical Bandgap Estimation of Multilayer Arsenene Nanoribbons

(2016) Hsu-Sheng Tsai et al.   CHEMISTRY OF MATERIALS

Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigation

(2016) Bohayra Mortazavi et al.   ELECTROCHIMICA ACTA

Quantum spin Hall insulators in functionalized arsenene (AsX, X = F, OH and CH3) monolayers with pronounced light absorption

(2016) Jun Zhao et al.   Nanoscale

Toward High-Performance Top-Gate Ultrathin HfS2Field-Effect Transistors by Interface Engineering

(2016) Kai Xu et al.   Small

TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones

(2016) Yuliang Liu et al.   ACS Catalysis

Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Interlayer coupling effects on Schottky barrier in the arsenene-graphene van der Waals heterostructures

(2015) Congxin Xia et al.   APPLIED PHYSICS LETTERS

Electronic structure and absolute band edge position of tetragonal AgInS2 photocatalyst: A hybrid density functional study

(2015) Jianjun Liu et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Two-dimensional semiconductors with possible high room temperature mobility

(2014) Wenxu Zhang et al.   Nano Research

Electronics based on two-dimensional materials

(2014) Gianluca Fiori et al.   Nature Nanotechnology

Crystal electron binding energy and surface work function control of tin dioxide

(2014) Keith T. Butler et al.   PHYSICAL REVIEW B

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

(2013) Houlong L. Zhuang et al.   CHEMISTRY OF MATERIALS

Novel half-metal and spin gapless semiconductor properties in N-doped silicene nanoribbons

(2013) Fu-bao Zheng et al.   JOURNAL OF APPLIED PHYSICS

Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts

(2013) Houlong L. Zhuang et al.   Journal of Physical Chemistry C

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS