WS2 and WSSe bilayer with excellent carrier mobility and power conversion efficiency

DFT study on type-II photocatalyst for overall water splitting: g-GaN/C2N van der Waals heterostructure

(2023) Xin Huang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Modulation of the magnetic, electronic, and optical behaviors of WS2 after metals adsorption: A first-principles study

(2023) Kunqi Yang et al.   CHEMICAL PHYSICS

Building up a general selection strategy and catalytic performance prediction expressions of heteronuclear double-atom catalysts for N2 reduction

(2023) Yibo Wu et al.   Journal of Energy Chemistry

The superior photocatalytic performance and DFT insights of S-scheme CuO@TiO2 heterojunction composites for simultaneous degradation of organics

(2022) Hesham Hamad et al.   Scientific Reports

Two-dimensional g-C6N6/SiP-GaS van der Waals heterojunction for overall water splitting under visible light

(2022) Jian Yang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

“Capture-Backdonation-Recapture” Mechanism for Promoting N2 Reduction by Heteronuclear Metal-Free Double-Atom Catalysts

(2022) Yibo Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuning the structural, electronic, mechanical and optical properties of silicene monolayer by chemical functionalization: A first-principles study

(2022) Aida Bao et al.   VACUUM

Design of Novel Transition-Metal-Doped C6N2 with High-Efficiency Polysulfide Anchoring and Catalytic Performances toward Application in Lithium–Sulfur Batteries

(2022) Cheng He et al.   ACS Applied Materials & Interfaces

A Family of Li B Monolayers with a Wide Spectrum of Potential Applications

(2022) Kai Ren et al.   APPLIED SURFACE SCIENCE

A study of 2H and 1T phases of Janus monolayers and their van der Waals heterostructure with black phosphorene for optoelectronic and thermoelectric applications

(2022) Aqsa Abid et al.   JOURNAL OF SOLID STATE CHEMISTRY

Fabrication of a g-C3N4/MoS2 photocatalyst for enhanced RhB degradation

(2022) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4%

(2022) Jiarui Tu et al.   ACS Omega

Construction of novel PG/GeP2 and PG/SiP2 vdW heterostructures for high-efficiency photocatalytic water splitting

(2022) W.X. Zhang et al.   APPLIED SURFACE SCIENCE

Adsorption of metal atoms on MoSi2N4 monolayer: A first principles study

(2022) Zhen Cui et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Toxic gas molecules adsorbed on intrinsic and defective WS2: gas sensing and detection

(2022) Zhen Cui et al.   APPLIED SURFACE SCIENCE

Pd4S3Se3, Pd4S3Te3, and Pd4Se3Te3: Candidate Two-Dimensional Janus Materials for Photocatalytic Water Splitting

(2021) Yi Luo et al.   CHEMISTRY OF MATERIALS

Direct Z-scheme TiO2–ZnIn2S4 nanoflowers for cocatalyst-free photocatalytic water splitting

(2021) Gancheng Zuo et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Opening the germanene monolayer band gap using halogen atoms: An efficient approach studied by first-principles calculations

(2021) D.M. Hoat et al.   APPLIED SURFACE SCIENCE

Ultrahigh Carrier Mobility in the Two-Dimensional Semiconductors B8Si4, B8Ge4, and B8Sn4

(2021) Minglei Sun et al.   CHEMISTRY OF MATERIALS

Novel Design Strategy of High Activity Electrocatalysts toward Nitrogen Reduction Reaction via Boron–Transition-Metal Hybrid Double-Atom Catalysts

(2021) Yibo Wu et al.   ACS Applied Materials & Interfaces

Tuning the electronic properties of MoSi2N4 by molecular doping: A first principles investigation

(2021) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

MOF-derived N-doped ZnO carbon skeleton@hierarchical Bi2MoO6 S-scheme heterojunction for photodegradation of SMX: Mechanism, pathways and DFT calculation

(2021) Aiwen Wang et al.   JOURNAL OF HAZARDOUS MATERIALS

S-Scheme Heterojunction Photocatalyst

(2020) Quanlong Xu et al.   Chem

Effect of biaxial strain on thermal transport in WS2 monolayer from first principles calculations

(2020) Dan Han et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

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

Noncovalently functionalization of Janus MoSSe monolayer with organic molecules

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

A MoSSe/blue phosphorene vdw heterostructure with energy conversion efficiency of 19.9% for photocatalytic water splitting

(2020) Yi Luo et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Strain-driven thermodynamic stability and electronic transitions in ZnX (X = O, S, Se, and Te) monolayers

(2019) Rajneesh Chaurasiya et al.   JOURNAL OF APPLIED PHYSICS

Strain Engineering and Electric Field Tunable Electronic Properties of Janus MoSSe/WX 2 (X = S, Se) van der Waals Heterostructures

(2019) Chen Yu et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Structural and electronic properties of 2H phase Janus transition metal dichalcogenide bilayers

(2019) Yi Yang et al.   SUPERLATTICES AND MICROSTRUCTURES

Visible light response ZnO–C3N4 thin film photocatalyst

(2019) Yue Zhang et al.   RARE METALS

Simultaneous enhancements in photoactivity and anti-photocorrosion of Z-scheme Mn0.25Cd0.75S/WO3 for solar water splitting

(2019) Jing Wang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Electronic and optical properties of van der Waals heterostructures of g-GaN and transition metal dichalcogenides

(2019) Zhen Cui 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

Electronic, magnetism, and optical properties of transition metals adsorbed g-GaN

(2019) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Contact engineering for 2D materials and devices

(2018) Daniel S. Schulman et al.   CHEMICAL SOCIETY REVIEWS

Tunable Electronic and Optical Properties of Monolayer and Multilayer Janus MoSSe as a Photocatalyst for Solar Water Splitting: A First-Principles Study

(2018) Zhaoyong Guan et al.   Journal of Physical Chemistry C

Tunable dipole and carrier mobility for a few layer Janus MoSSe structure

(2018) Wen-Jin Yin et al.   Journal of Materials Chemistry C

Strain-mediated stability and electronic properties of WS2, Janus WSSe and WSe2 monolayers

(2018) Rajneesh Chaurasiya et al.   SUPERLATTICES AND MICROSTRUCTURES

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

Electrochemical Polishing of Two-Dimensional Materials

(2018) Amritanand Sebastian et al.   ACS Nano

Two-dimensional CdS/g-C6N6 heterostructure used for visible light photocatalysis

(2018) Guangzhao Wang et al.   APPLIED SURFACE SCIENCE

GeSe Thin-Film Solar Cells Fabricated by Self-Regulated Rapid Thermal Sublimation

(2017) Ding-Jiang Xue et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Janus monolayers of transition metal dichalcogenides

(2017) Ang-Yu Lu et al.   Nature Nanotechnology

Prediction of electronic structure of van der Waals interfaces: Benzene adsorbed monolayer MoS 2 , WS 2 and WTe 2

(2017) Baiqing You et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Metallic 1T-TiS2 nanodots anchored on a 2D graphitic C3N4 nanosheet nanostructure with high electron transfer capability for enhanced photocatalytic performance

(2017) Yang Liu et al.   RSC Advances

Controlling of the electronic properties of WS2 and graphene oxide heterostructures from first-principles calculations

(2017) Mingye Yang et al.   Journal of Materials Chemistry C

Enhanced Catalytic Activities of Surfactant-Assisted Exfoliated WS2 Nanodots for Hydrogen Evolution

(2016) Xue Zhao et al.   ACS Nano

Photoactive WS2 nanosheets bearing plasmonic nanoparticles for visible light-driven reduction of nitrophenol

(2016) Hye-Rim Lee et al.   CHEMICAL COMMUNICATIONS

Electronic Structures and Carrier Mobilities of Blue Phosphorus Nanoribbons and Nanotubes: A First-Principles Study

(2016) Jin Xiao et al.   Journal of Physical Chemistry C

Facile Synthesis of Water-Soluble WS2 Quantum Dots for Turn-On Fluorescent Measurement of Lipoic Acid

(2016) Yinghan Yan et al.   Journal of Physical Chemistry C

The WS2quantum dot: preparation, characterization and its optical limiting effect in polymethylmethacrylate

(2016) Hui Long et al.   NANOTECHNOLOGY

Electronic and optical properties of titanium-doped GaN nanowires

(2016) Zhen Cui et al.   MATERIALS & DESIGN

Tungsten Sulfide Quantum Dots as Multifunctional Nanotheranostics for In Vivo Dual-Modal Image-Guided Photothermal/Radiotherapy Synergistic Therapy

(2015) Yuan Yong et al.   ACS Nano

2D Transition-Metal-Dichalcogenide-Nanosheet-Based Composites for Photocatalytic and Electrocatalytic Hydrogen Evolution Reactions

(2015) Qipeng Lu et al.   ADVANCED MATERIALS

Two-dimensional dichalcogenides for light-harvesting applications

(2015) Bo Peng et al.   Nano Today

Engineering heterogeneous semiconductors for solar water splitting

(2015) Xin Li et al.   Journal of Materials Chemistry A

Electrical Transport Properties of Single-Layer WS2

(2014) Dmitry Ovchinnikov et al.   ACS Nano

From UV to Near-Infrared, WS2Nanosheet: A Novel Photocatalyst for Full Solar Light Spectrum Photodegradation

(2014) Yuanhua Sang et al.   ADVANCED MATERIALS

Room temperature electroluminescence from n-ZnO:Ga/i-ZnO/p-GaN:Mg heterojunction device grown by PLD

(2014) Lichun Zhang et al.   Electronic Materials Letters

AlxC Monolayer Sheets: Two-Dimensional Networks with Planar Tetracoordinate Carbon and Potential Applications as Donor Materials in Solar Cell

(2014) Jun Dai et al.   Journal of Physical Chemistry Letters

Back Electron–Hole Recombination in Hematite Photoanodes for Water Splitting

(2014) Florian Le Formal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mono- and Bilayer WS2 Light-Emitting Transistors

(2014) Sanghyun Jo et al.   NANO LETTERS

Synthesis and photocatalytic activity of porous anatase TiO2 microspheres composed of {010}-faceted nanobelts

(2013) Jun Zhao et al.   DALTON TRANSACTIONS

Enhanced photocatalytic performance of direct Z-scheme g-C3N4–TiO2 photocatalysts for the decomposition of formaldehyde in air

(2013) Jiaguo Yu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Semiconducting Monolayer Materials as a Tunable Platform for Excitonic Solar Cells

(2012) Marco Bernardi et al.   ACS Nano

Progress, challenge and perspective of heterogeneous photocatalysts

(2012) Yongquan Qu et al.   CHEMICAL SOCIETY REVIEWS

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

Heterogeneous photocatalyst materials for water splitting

(2008) Akihiko Kudo et al.   CHEMICAL SOCIETY REVIEWS