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Tunable Structural, Electronic, and Optical Properties of Layered Two-Dimensional C 2 N and MoS 2 van der Waals Heterostructure as Photovoltaic Material

https://doi.org/10.1021/acs.jpcc.6b12681

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Band gap modulation of mono and bi-layer hexagonal ZnS under transverse electric field and bi-axial strain: A first principles study

inferred← citeshttps://doi.org/10.1016/j.physb.2019.411673openalex-snapshot

Tunable electric properties of bilayer MX2 (M = Ge, Sn; X = S, Se) with different strain and external electric field

inferred← citeshttps://doi.org/10.1016/j.physb.2021.413390openalex-snapshot

Ab-Initio investigations of electronic and optical properties of Sn-hBN hetero-structure

inferred← citeshttps://doi.org/10.1016/j.physb.2024.416847openalex-snapshot

Strain-induced magnetic coupling oscillations in Mn doped monolayer 2H-MoS2

inferred← citeshttps://doi.org/10.1016/j.physb.2025.417559openalex-snapshot

Strain driven modulations in electronic, optical properties and photovoltaic efficiencies of 2D AH (A = Si, Ge) monolayers: An account from first-principles study

inferred← citeshttps://doi.org/10.1016/j.physe.2019.113866openalex-snapshot

RETRACTED: Tunable electronic and optical properties of 2D PtS2/MoS2 van der Waals heterostructure

inferred← citeshttps://doi.org/10.1016/j.physe.2020.114334openalex-snapshot

Tunable electronic structures of C2N/germanane van der waals heterostructures using an external electric field and normal strain

inferred← citeshttps://doi.org/10.1016/j.physe.2021.114754openalex-snapshot

A first-principles research of two-dimensional AlN/C2N van der Waals heterostructure as photocatalyst

inferred← citeshttps://doi.org/10.1016/j.physe.2022.115423openalex-snapshot

A potential absorber for PHz electronics using Sn/h-BN Van der Waals structure: A hybrid DFT and macroscopic investigations

inferred← citeshttps://doi.org/10.1016/j.physe.2024.116006openalex-snapshot

Electric field and strain tuned the electronic and optical properties of Zr2CO2/MoSe2 van der Waals heterojunction

inferred← citeshttps://doi.org/10.1016/j.physe.2024.116064openalex-snapshot

Carrier mobility and broadband performance of two-dimensional Sb/SnSe van der Waals heterostructure: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.physleta.2019.01.060openalex-snapshot

Electronic and optical properties of van der Waals vertical heterostructures based on two-dimensional transition metal dichalcogenides: First-principles calculations

inferred← citeshttps://doi.org/10.1016/j.physleta.2019.06.020openalex-snapshot

Efficient band structure engineering and visible-light response in ZrS2/GaS heterobilayer by electrical field or external strains

inferred← citeshttps://doi.org/10.1016/j.physleta.2019.126150openalex-snapshot

Tunable electronic and optical properties of SnC/BAs heterostructure by external electric field and vertical strain

inferred← citeshttps://doi.org/10.1016/j.physleta.2020.126532openalex-snapshot

First principles study of the electronic properties and Schottky barrier in Cu2Si/C2N van der Waals heterostructures

inferred← citeshttps://doi.org/10.1016/j.physleta.2021.127427openalex-snapshot

Tunable electronic and optical properties of InSe/arsenene heterostructure by vertical strain and electric field

inferred← citeshttps://doi.org/10.1016/j.rinp.2024.107706openalex-snapshot

Theoretical design of Sc2CF2/Ti2CO2 heterostructure as a promising direct Z-scheme photocatalyst towards efficient water splitting

inferred← citeshttps://doi.org/10.1016/j.solidstatesciences.2021.106736openalex-snapshot

Two-dimensional SnTe/Sb van der Waals heterostructure for photovoltaic application

inferred← citeshttps://doi.org/10.1016/j.spmi.2019.106210openalex-snapshot

Efficient band structure engineering and visible-light response in SnS2/GaS heterostructure by electric field and biaxial strain

inferred← citeshttps://doi.org/10.1016/j.spmi.2022.107184openalex-snapshot

Tuning electronic structures and optical properties of graphene/phosphorene heterostructure via electric field

inferred← citeshttps://doi.org/10.1016/j.ssc.2022.114880openalex-snapshot

Insight into electronic structure and photocatalytic character of GaSe/MoS2 heterostructure by first-principles investigation

inferred← citeshttps://doi.org/10.1016/j.ssc.2025.115966openalex-snapshot

Electronic, magneto-optic and band alignments of MnO2/AlN and MnO2/SiC topological vdW hetrostructures: A DFT study

inferred← citeshttps://doi.org/10.1016/j.ssc.2025.115968openalex-snapshot

Excellent thermoelectric properties of mono and multilayers dichalcogenide MoS2 with mechanical deformation, A first principles calculations

inferred← citeshttps://doi.org/10.1016/j.surfin.2021.101228openalex-snapshot

Modulated electronic and optical properties of bilayer/trilayer Blue Phosphorene/MoX2 (X=S, Se) van der Waals heterostructures

inferred← citeshttps://doi.org/10.1016/j.surfin.2022.102453openalex-snapshot

Enhanced electronic and thermoelectric properties of Zr 2 CO 2 /GaS van der Waals heterostructure: A First-principles study

inferred← citeshttps://doi.org/10.1016/j.surfin.2023.102734openalex-snapshot

Double-perovskite van der Waals heterostructure Cs2NaInCl6-XS2 (X=Cr, Mo, W) as great potential material in photovoltaic devices

inferred← citeshttps://doi.org/10.1016/j.susmat.2022.e00502openalex-snapshot

Two-dimensional Janus like scandium-based MXenes as photocatalysts for overall water splitting: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.vacuum.2020.109296openalex-snapshot

Electronic structures and strain responses of group VA/VA two-dimensional van der waals heterostructures

inferred← citeshttps://doi.org/10.1021/acs.chemmater.1c00812openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/acs.chemmater.1c03166openalex-snapshot

Boosting Photocatalytic Activity Using Carbon Nitride Based 2D/2D van der Waals Heterojunctions

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.9b01255openalex-snapshot

Theoretical Insights into Two-Dimensional IV–V Compounds: Photocatalysts for the Overall Water Splitting and Nanoelectronic Applications

inferred← citeshttps://doi.org/10.1021/acs.jpca.4c07535openalex-snapshot

(ZnO)12 Cluster Decorated 2D Porous CN Materials as Efficient Solar Cells

inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c07125openalex-snapshot

Tunable Electronic Structure of Two-Dimensional MoX2 (X = S, Se)/SnS2 van der Waals Heterostructures

inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c03822openalex-snapshot

Gas Transport across Carbon Nitride Nanopores: A Comparison of van der Waals Functionals against the Random-Phase Approximation

inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c03915openalex-snapshot

Prediction of High Curie Temperature, Large Magnetic Crystal Anisotropy, and Carrier Doping-Induced Half-Metallicity in Two-Dimensional Ferromagnetic FeX 3 (X = F, Cl, Br, and I) Monolayers

inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c06228openalex-snapshot

Metal-Free Z-Scheme aza-CMP/C2N Heterostructure to Facilitate Photocatalytic CO2 Reduction: A Computational Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b07612openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b07776openalex-snapshot

Tailoring the Electronic Band Gap and Band Edge Positions in the C 2 N Monolayer by P and As Substitution for Photocatalytic Water Splitting

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b11963openalex-snapshot

Controlled Pore Sizes in Monolayer C2N Act as Ultrasensitive Probes for Detection of Gaseous Pollutants (HF, HCN, and H2S)

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b00257openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b03068openalex-snapshot

Azobenzene Adsorption on the MoS2(0001) Surface: A Density Functional Investigation within van der Waals Corrections

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b04440openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b06575openalex-snapshot

Janus Group-III Chalcogenide Monolayers and Derivative Type-II Heterojunctions as Water-Splitting Photocatalysts with Strong Visible-Light Absorbance

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b07692openalex-snapshot

Theoretical Design of an InSe/GaTe vdW Heterobilayer: A Potential Visible-Light Photocatalyst for Water Splitting

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b10521openalex-snapshot

Bimetallic Pd/Co Embedded in Two-Dimensional Carbon-Nitride for Z-Scheme Photocatalytic Water Splitting

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b01175openalex-snapshot

Improvement of Visible-Light Photocatalytic Efficiency in a Novel InSe/Zr 2 CO 2 Heterostructure for Overall Water Splitting

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b04784openalex-snapshot

Investigation of Stacking Effects of Bilayer MoSSe on Photocatalytic Water Splitting

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b05581openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c02818openalex-snapshot

A Type-II BiTeCl/SnSe2 Heterostructure with High Photoelectric Conversion Efficiency and Tunable Optoelectronic Properties for Photovoltaic Applications

inferred← citeshttps://doi.org/10.1021/acs.langmuir.7b03801openalex-snapshot

First-Principles Study on Layered C2N–Metal Interfaces

inferred← citeshttps://doi.org/10.1021/acsaelm.1c00363openalex-snapshot

Strain-Controllable High Curie Temperature and Magnetic Crystal Anisotropy in a 2D Ferromagnetic Semiconductive FeI3 Monolayer

inferred← citeshttps://doi.org/10.1021/acsaelm.3c01708openalex-snapshot

Strain-Induced Enhanced Performance in 2D C 2 N/MoS 2 Heterostructures for Photocatalytic Water Splitting: A Meta-GGA Study

inferred← citeshttps://doi.org/10.1021/acsami.0c13988openalex-snapshot

Strain-Controllable High Curie Temperature, Large Valley Polarization, and Magnetic Crystal Anisotropy in a 2D Ferromagnetic Janus VSeTe Monolayer

inferred← citeshttps://doi.org/10.1021/acsami.2c18812openalex-snapshot

Ferroelectricity and High Curie Temperature in a 2D Janus Magnet

inferred← citeshttps://doi.org/10.1021/acsami.8b00494openalex-snapshot

Gauging the Nanotoxicity of h2D-C2N toward Single-Stranded DNA: An in Silico Molecular Simulation Approach

inferred← citeshttps://doi.org/10.1021/acsanm.0c01331openalex-snapshot

Two-Dimensional Layered Materials: High-Efficient Electrocatalysts for Hydrogen Evolution Reaction

inferred← citeshttps://doi.org/10.1021/acsanm.0c02787openalex-snapshot

Nonmetal-Doped C2N Nanosheets for Removal of Methoxyphenols: A First-Principles Study

inferred← citeshttps://doi.org/10.1021/acsomega.0c05712openalex-snapshot

Atomic Bonding and Electronic Binding Energy of Two-Dimensional Bi/Li(110) Heterojunctions via BOLS-BB Model

inferred← citeshttps://doi.org/10.1021/acsomega.8b01192openalex-snapshot

Exceptional Optical Absorption of Buckled Arsenene Covering a Broad Spectral Range by Molecular Doping

inferred← citeshttps://doi.org/10.1021/acsomega.8b03488openalex-snapshot

Computational Investigation on the Electronic Structure and Functionalities of a Thiophene-Based Covalent Triazine Framework

inferred← citeshttps://doi.org/10.1021/acsomega.9b04154openalex-snapshot

First-Principles Study of 3d Transition-Metal-Atom Adsorption onto Graphene Embedded with the Extended Line Defect

inferred← citeshttps://doi.org/10.1021/acsphyschemau.2c00021openalex-snapshot

Fano-Type Wavelength-Dependent Asymmetric Raman Line Shapes from MoS 2 Nanoflakes

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch001openalex-snapshot

Spin-Unrestricted and Spinor Nonradiative Relaxation Dynamics in Functionalized Semiconductors

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch002openalex-snapshot

Electronic Structure and Excited State Dynamics of TiO2Nanowires

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch003openalex-snapshot

Optical Properties of the TiO2(110) Surface with Adsorbed Ag Atoms Relevant to Photocatalysis and Photovoltaics

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch004openalex-snapshot

Computational Simulation of Trapped Charge Carriers in TiO 2 and Their Impacts on Photocatalytic Water Splitting

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch005openalex-snapshot

Time-Domain ab Initio Studies of Excited State Dynamics at Nanoscale Interfaces

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch006openalex-snapshot

Phonon-Mediated Ultrafast Hole Transfer from Photoexcited CdSe Quantum Dots to Black Dye

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch007openalex-snapshot

Comprehensive Study of Multiple Exciton Generation in Chiral Carbon Nanotubes Using Many-Body Perturbation Theory Based on Density Functional Theory Simulations

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch008openalex-snapshot

Functionalized Carbon Nanotube Excited States and Optical Properties

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch009openalex-snapshot

Understanding the Electrochemical Reduction of Carbon Dioxide at Copper Surfaces

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch010openalex-snapshot

Effect of Competitive Adsorption at the Interface between Aqueous Electrolyte and Solid Electrode

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch011openalex-snapshot

Atomistic Simulations of Plasmon Mediated Photochemistry

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch012openalex-snapshot

Modeling of Photooxidative Degradation of Aromatics in Water Matrix: A Quantitative Structure−Property Relationship Approach

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch013openalex-snapshot

Physical Properties of Conjugated Nanopore Materials

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch014openalex-snapshot

Photo-induced Charge Separation and Photoredox Catalysis in Cerium-Based Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch015openalex-snapshot

Excited State Electronic Structure of Single-Site Vanadium Oxide Photocatalysts Supported on Mesoporous Silica

inferred← citeshttps://doi.org/10.1038/s41598-018-24044-4openalex-snapshot

Design of Boron Doped C2N-C3N Coplanar Conjugated Heterostructure for Efficient HER Electrocatalysis

inferred← citeshttps://doi.org/10.1039/c7cp04108jopenalex-snapshot

A two-dimensional layered CdS/C 2 N heterostructure for visible-light-driven photocatalysis

inferred← citeshttps://doi.org/10.1039/c7nr06473jopenalex-snapshot

Two-dimensional transition-metal dichalcogenides-based ferromagnetic van der Waals heterostructures

inferred← citeshttps://doi.org/10.1039/c7ra06865dopenalex-snapshot

Band gap opening of graphene by forming a graphene/PtSe 2 van der Waals heterojunction

inferred← citeshttps://doi.org/10.1039/c8cp03533dopenalex-snapshot

Tunable band gap of graphyne-based homo- and hetero-structures by stacking sequences, strain and electric field

inferred← citeshttps://doi.org/10.1039/c8cp07680dopenalex-snapshot

Using van der Waals heterostructures based on two-dimensional blue phosphorus and XC (X = Ge, Si) for water-splitting photocatalysis: a first-principles study

inferred← citeshttps://doi.org/10.1039/c8ra09378dopenalex-snapshot

Strain-enhanced properties of van der Waals heterostructure based on blue phosphorus and g-GaN as a visible-light-driven photocatalyst for water splitting

inferred← citeshttps://doi.org/10.1039/c8ta02061bopenalex-snapshot

Sunlight-driven water-splitting using two-dimensional carbon based semiconductors

inferred← citeshttps://doi.org/10.1039/c8ta08103dopenalex-snapshot

Two-dimensional few-layer group-III metal monochalcogenides as effective photocatalysts for overall water splitting in the visible range

inferred← citeshttps://doi.org/10.1039/c9cp04234bopenalex-snapshot

A type-II C 2 N/α-Te van der Waals heterojunction with improved optical properties by external perturbation

inferred← citeshttps://doi.org/10.1039/c9cp06696aopenalex-snapshot

Band alignment control in a blue phosphorus/C 2 N van der Waals heterojunction using an electric field

inferred← citeshttps://doi.org/10.1039/c9cp07009eopenalex-snapshot

Effects of different surface functionalization on the electronic properties and contact types of graphene/functionalized-GeC van der Waals heterostructures

inferred← citeshttps://doi.org/10.1039/c9nr05930jopenalex-snapshot

Screening two dimensional materials for the transportation and delivery of diverse genetic materials

inferred← citeshttps://doi.org/10.1039/c9nr06011aopenalex-snapshot

Out-of-plane ion transport makes nitrogenated holey graphite a promising high-rate anode for both Li and Na ion batteries

inferred← citeshttps://doi.org/10.1039/c9ra08749dopenalex-snapshot

Computational insights into structural, electronic and optical characteristics of GeC/C 2 N van der Waals heterostructures: effects of strain engineering and electric field

inferred← citeshttps://doi.org/10.1039/c9ta02716eopenalex-snapshot

GeSe@SnS: stacked Janus structures for overall water splitting

inferred← citeshttps://doi.org/10.1039/d0cp00269kopenalex-snapshot

Enhanced carrier mobility and tunable electronic properties in α-tellurene monolayer via an α-tellurene and h-BN heterostructure

inferred← citeshttps://doi.org/10.1039/d0cp03434gopenalex-snapshot

van der Waals heterostructures based on MSSe (M = Mo, W) and graphene-like GaN: enhanced optoelectronic and photocatalytic properties for water splitting

inferred← citeshttps://doi.org/10.1039/d0cp03925jopenalex-snapshot

A two-dimensional h-BN/C 2 N heterostructure as a promising metal-free photocatalyst for overall water-splitting

inferred← citeshttps://doi.org/10.1039/d0cp03926hopenalex-snapshot

Optoelectronic and photocatalytic applications of hBP–XMY (M = Mo, W; (X ≠ Y) = S, Se, Te) van der Waals heterostructures

inferred← citeshttps://doi.org/10.1039/d0cp04450dopenalex-snapshot

Anisotropic interfacial properties of monolayer C 2 N field effect transistors

inferred← citeshttps://doi.org/10.1039/d0cp05909aopenalex-snapshot

Computational design of a polymorph for 2D III–V orthorhombic monolayers by first principles calculations: excellent anisotropic, electronic and optical properties

inferred← citeshttps://doi.org/10.1039/d0ma00085jopenalex-snapshot

Tunable electronic and magnetic properties of monolayer and bilayer Janus Cr 2 Cl 3 I 3 : a first-principles study

inferred← citeshttps://doi.org/10.1039/d0nj02877kopenalex-snapshot

2D layered SiC/C 2 N van der Waals type-II heterostructure: a visible-light-driven photocatalyst for water splitting

inferred← citeshttps://doi.org/10.1039/d0nj03296dopenalex-snapshot

Two-dimensional layered Janus-In 2 SeTe/C 2 N van der Waals heterostructures for photocatalysis and photovoltaics: first-principles calculations

inferred← citeshttps://doi.org/10.1039/d0nj03752dopenalex-snapshot

Selective detection and removal of picric acid by C 2 N surface from a mixture of nitro-explosives

inferred← citeshttps://doi.org/10.1039/d0nr04837bopenalex-snapshot

Predicted 2D ferromagnetic Janus VSeTe monolayer with high Curie temperature, large valley polarization and magnetic crystal anisotropy

inferred← citeshttps://doi.org/10.1039/d0ra04930aopenalex-snapshot

The C 2 N surface as a highly selective sensor for the detection of nitrogen iodide from a mixture of NX 3 (X = Cl, Br, I) explosives

inferred← citeshttps://doi.org/10.1039/d0ra05579dopenalex-snapshot

Electronic and photocatalytic properties of two-dimensional boron phosphide/SiC van der Waals heterostructure with direct type-II band alignment: a first principles study

inferred← citeshttps://doi.org/10.1039/d0sc01443eopenalex-snapshot

Interpretable molecular models for molybdenum disulfide and insight into selective peptide recognition

inferred← citeshttps://doi.org/10.1039/d1cp00122aopenalex-snapshot

A first-principles study on the electronic and optical properties of a type-II C 2 N/g-ZnO van der Waals heterostructure

inferred← citeshttps://doi.org/10.1039/d1cp00192bopenalex-snapshot

A strategy for enhancing the photoactivity of g-C 3 N 4 -based single-atom catalysts via sulphur doping: a theoretical study

inferred← citeshttps://doi.org/10.1039/d1cp00364jopenalex-snapshot

Boosting the photocatalytic hydrogen evolution performance of monolayer C 2 N coupled with MoSi 2 N 4 : density-functional theory calculations

inferred← citeshttps://doi.org/10.1039/d1nj00344eopenalex-snapshot

A van der Waals heterostructure of MoS 2 /MoSi 2 N 4 : a first-principles study

inferred← citeshttps://doi.org/10.1039/d1nj02440jopenalex-snapshot

Band alignment of Zr 2 CO 2 /MoS 2 heterostructures under an electric field

inferred← citeshttps://doi.org/10.1039/d1ra00004gopenalex-snapshot

Two-dimensional blue phosphorene–BAs vdW heterostructure with optical and photocatalytic properties: a first-principles study

inferred← citeshttps://doi.org/10.1039/d1ra03606hopenalex-snapshot

Tunable electronic and optical properties of a BAs/As heterostructure by vertical strain and external electric field

inferred← citeshttps://doi.org/10.1039/d1ya00047kopenalex-snapshot

Enhancing the photocatalytic hydrogen generation performance and strain regulation of the vertical GeI 2 /C 2 N van der Waals heterostructure: insights from first-principles study

inferred← citeshttps://doi.org/10.1039/d2cp01555bopenalex-snapshot

Promoted photocarrier separation by dipole engineering in two-dimensional perovskite/C 2 N van der Waals heterostructures

inferred← citeshttps://doi.org/10.1039/d2cp02011dopenalex-snapshot

Controllable Schottky barriers and contact types of BN intercalation layers in graphene/MoSi 2 As 4 vdW heterostructures via applying an external electrical field

inferred← citeshttps://doi.org/10.1039/d2cp04866copenalex-snapshot

Enhancement in photocatalytic water splitting using van der Waals heterostructure materials based on penta-layers

inferred← citeshttps://doi.org/10.1039/d2cp05230jopenalex-snapshot

Two-dimensional AlN/g-CNs van der Waals type-II heterojunction for water splitting

inferred← citeshttps://doi.org/10.1039/d2dt02531kopenalex-snapshot

The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study

inferred← citeshttps://doi.org/10.1039/d2ra00419dopenalex-snapshot

Boosting the photocatalytic H 2 evolution activity of type-II g-GaN/Sc 2 CO 2 van der Waals heterostructure using applied biaxial strain and external electric field

inferred← citeshttps://doi.org/10.1039/d2ra00847eopenalex-snapshot

Band offset engineering at C 2 N/MSe 2 (M = Mo, W) interfaces

inferred← citeshttps://doi.org/10.1039/d2ra03204jopenalex-snapshot

Two-dimensional MXO/MoX 2 (M = Hf, Ti and X = S, Se) van der Waals heterostructure: a promising photovoltaic material

inferred← citeshttps://doi.org/10.1039/d2ra05310aopenalex-snapshot

DFT investigation of the electronic and optical properties of hexagonal MX 2 /ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application

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