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Single-layer Group-IVB nitride halides as promising photocatalysts

https://doi.org/10.1039/c3ta15431a
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What this work says

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

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Density functional theory and the band gap problem
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Hydrogen uptake by layer structured β-ZrNCl
inferredcites →https://doi.org/10.1016/s0022-3697(99)00161-4openalex-snapshot
Hydrogen in β-ZrNCl
inferredcites →https://doi.org/10.1021/cm047891kopenalex-snapshot
Visible-Light-Activated Nanoparticle Photocatalyst of Iodine-Doped Titanium Dioxide
inferredcites →https://doi.org/10.1021/cm401661xopenalex-snapshot
Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting
inferredcites →https://doi.org/10.1021/cm981050uopenalex-snapshot
Superconducting Metallocene Intercalation Compounds of β-ZrNCl
inferredcites →https://doi.org/10.1021/cr1001645openalex-snapshot
Semiconductor-based Photocatalytic Hydrogen Generation
inferredcites →https://doi.org/10.1021/cr100246copenalex-snapshot
Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds
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Graphene-Like Two-Dimensional Materials
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High-Pressure Synthesis of the Polymorph of Layer Structured Compounds MNX (M = Zr, Hf; X = Cl, Br, I)
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Graphene Nucleation on Transition Metal Surface: Structure Transformation and Role of the Metal Step Edge
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Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method
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Synthesis and Facet-Dependent Photoreactivity of BiOCl Single-Crystalline Nanosheets
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Enhanced Thermal Decomposition of Nitromethane on Functionalized Graphene Sheets: Ab Initio Molecular Dynamics Simulations
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Surface Structure-Dependent Molecular Oxygen Activation of BiOCl Single-Crystalline Nanosheets
inferredcites →https://doi.org/10.1021/jp201350eopenalex-snapshot
Half-Metallicity in Hybrid Graphene/Boron Nitride Nanoribbons with Dihydrogenated Edges
inferredcites →https://doi.org/10.1021/jp212558popenalex-snapshot
Stable, Single-Layer MX 2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure
inferredcites →https://doi.org/10.1021/jp405808aopenalex-snapshot
Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts
inferredcites →https://doi.org/10.1021/jp406523wopenalex-snapshot
Solar Fuels. Photocatalytic Hydrogen Generation
inferredcites →https://doi.org/10.1021/jp710564gopenalex-snapshot
Structural, Electronic, and Optical Properties of N-doped SnO2
inferredcites →https://doi.org/10.1021/jp712049copenalex-snapshot
Surface Modification of TiO2 by Phosphate: Effect on Photocatalytic Activity and Mechanism Implication
inferredcites →https://doi.org/10.1021/jp8043708openalex-snapshot
Geometric and Electronic Properties of Sn-Doped TiO2 from First-Principles Calculations
inferredcites →https://doi.org/10.1021/jp9053499openalex-snapshot
Structural and Electronic Properties of Graphane Nanoribbons
inferredcites →https://doi.org/10.1021/jp909578ropenalex-snapshot
Origin of the Visible Photocatalytic Activity of N-Doped In2O3: A Quantum Mechanical Study
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Photocatalytic Water Splitting: Recent Progress and Future Challenges
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Multivalency Iodine Doped TiO2: Preparation, Characterization, Theoretical Studies, and Visible-Light Photocatalysis
inferredcites →https://doi.org/10.1021/nl400107kopenalex-snapshot
Highly Responsive Ultrathin GaS Nanosheet Photodetectors on Rigid and Flexible Substrates
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Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
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Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
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Electrochemical Photolysis of Water at a Semiconductor Electrode
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Strain-engineered artificial atom as a broad-spectrum solar energy funnel
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Heterogeneous photocatalyst materials for water splitting
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Intercalation and superconductivity in ternary layer structured metal nitride halides (MNX: M = Ti, Zr, Hf; X = Cl, Br, I)
inferredcites →https://doi.org/10.1039/c1cc11015bopenalex-snapshot
The {001} facets-dependent high photoactivity of BiOCl nanosheets
inferredcites →https://doi.org/10.1039/c1cp22128kopenalex-snapshot
First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes
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Graphene-based semiconductor photocatalysts
inferredcites →https://doi.org/10.1039/c1jm11005eopenalex-snapshot
Synthesis of highly symmetrical BiOI single-crystal nanosheets and their {001} facet-dependent photoactivity
inferredcites →https://doi.org/10.1039/c2jm16225copenalex-snapshot
Preparation and superconductivity of intercalation compounds of TiNCl with aliphatic amines
inferredcites →https://doi.org/10.1039/c3ta00097dopenalex-snapshot
R-graphyne: a new two-dimensional carbon allotrope with versatile Dirac-like point in nanoribbons
inferredcites →https://doi.org/10.1039/c3ta12098hopenalex-snapshot
Dimension-dependent phase transition and magnetic properties of VS2
inferredcites →https://doi.org/10.1063/1.2404663openalex-snapshot
Influence of the exchange screening parameter on the performance of screened hybrid functionals
inferredcites →https://doi.org/10.1063/1.4820470openalex-snapshot
Tunable electronic and magnetic properties of WS2 nanoribbons
inferredcites →https://doi.org/10.1073/pnas.0502848102openalex-snapshot
Two-dimensional atomic crystals
inferredcites →https://doi.org/10.1088/0953-8984/14/44/455openalex-snapshot
High-pressure synthesis and crystal structures of -MNX(M Zr, Hf;X Cl, Br, I)
inferredcites →https://doi.org/10.1088/0953-8984/22/2/022201openalex-snapshot
Chemical accuracy for the van der Waals density functional
inferredcites →https://doi.org/10.1103/physrevb.44.13071openalex-snapshot
Calculation of optical matrix elements with nonlocal pseudopotentials
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.83.014509openalex-snapshot
Spin and charge fluctuations in α -structure layered nitride superconductors
inferredcites →https://doi.org/10.1103/physrevb.83.195131openalex-snapshot
Van der Waals density functionals applied to solids
inferredcites →https://doi.org/10.1103/physrevb.83.245213openalex-snapshot
Influence of quantum confinement on the electronic structure of the transition metal sulfide T S 2
inferredcites →https://doi.org/10.1103/physrevb.85.144517openalex-snapshot
Nanoscale electronic structure of the layered nitride superconductors α -K x TiNCl and β -HfNCl y observed by scanning tunneling microscopy and spectroscopy
inferredcites →https://doi.org/10.1103/physrevb.86.024516openalex-snapshot
Superconductivity in electron-doped layered TiNCl with variable interlayer coupling
inferredcites →https://doi.org/10.1103/physrevlett.104.186101openalex-snapshot
Contrasting Behavior of Carbon Nucleation in the Initial Stages of Graphene Epitaxial Growth on Stepped Metal Surfaces
inferredcites →https://doi.org/10.1103/physrevlett.105.136805openalex-snapshot
Atomically Thin MoS 2 : A New Direct-Gap Semiconductor
inferredcites →https://doi.org/10.1103/physrevlett.51.1884openalex-snapshot
Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1126/science.1226419openalex-snapshot
Liquid Exfoliation of Layered Materials
inferredcites →https://doi.org/10.1146/annurev.pc.29.100178.001201openalex-snapshot
Photoelectrochemistry: Applications to Solar Energy Conversion
inferredcites →https://doi.org/10.2138/am-2000-0416openalex-snapshot
The absolute energy positions of conduction and valence bands of selected semiconducting minerals

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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2D Group IVB Transition Metal Dichalcogenides
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Material Design for Photocatalytic Water Splitting from a Theoretical Perspective
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Type‐II C2N/ZnTe Van Der Waals Heterostructure: A Promising Photocatalyst for Water Splitting
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Solar‐Triggered Engineered 2D‐Materials for Environmental Remediation: Status and Future Insights
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MnPSe3 Monolayer: A Promising 2D Visible‐Light Photohydrolytic Catalyst with High Carrier Mobility
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Development of Mixed‐Anion Photocatalysts with Wide Visible‐Light Absorption Bands for Solar Water Splitting
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Thermoelectric properties of two‐dimensional ternary transition metal nitrides HfNF
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A procession on photocatalyst for solar fuel production and waste treatment
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The Janus structures of group-III chalcogenide monolayers as promising photocatalysts for water splitting
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Two-dimensional materials α- and β-AlSiXY2 (X = P, As and Sb, Y = S, Se and Te) with intrinsic electric field for photocatalytic water splitting
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Prediction of direct Z-scheme H and H-phase of MoSi2N4/MoSX (X = S, Se) van der Waals heterostructures: A promising candidate for photocatalysis
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Structural, electronic, and optical properties of two-dimensional and bulk ZrNBr from first-principles calculations
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Computational study of the electronic, optical and photocatalytic properties of single-layer hexagonal zinc chalcogenides
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Two-dimensional arsenene/HfNBr van der Waals heterojunction as water splitting photocatalyst: First-principles predictions
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Ternary transition-metal nitride halide monolayers MNI (M = Zr, Hf) with low thermal conductivity and high thermoelectric figure of merit
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Charge doping zirconium nitride halide monolayers
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TiNX (X = F, Cl) monolayer as potential anode materials for Li/Na-ion batteries applications
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Janus SiS2/SeWS heterojunction as a high-performance direct Z-scheme photocatalyst for spontaneous overall water splitting
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SiI2 monolayer as a promising photocatalyst for water splitting hydrogen production under the irradiation of solar light
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InSe based Janus Ⅵ-Ⅲ-Ⅳ-Ⅴ monolayers as water-splitting photocatalysts: Role of vacuum level difference
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Computational prediction of two-dimensional o-Al2N2 under applied strain for boosting the photocatalytic hydrogen evolution reaction performance
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Two-dimensional Al2I2Se2: A promising anisotropic thermoelectric material
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Ab initio prediction of thermoelectric performance of monolayer transition-metal nitride halides MNBr (M = Zr, Hf)
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Ab initio prediction of thermoelectric properties of monolayer ZrNCl and HfNCl
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Te-doped perovskite NaTaO3 as a promising photocatalytic material for hydrogen production from water splitting driven by visible light
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Computational insight on CsPbX3 (X = Cl, Br, I) and two-dimensional MYZ (M = Mo, W; YZ = Se, S) heterostructures
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Emergence of band anti-crossing and the semi-metallic electronic structure of Janus Ti 2 N 2 XI (X = Cl, Br) monolayers
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Band structure tuning and charge separation of MNX monolayers and MNX/GaS van der Waals heterostructures
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First-principles study of two-dimensional HfS2/GaS van der Waals heterostructure for photocatalytic action
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Charge polarization-driven type-II band alignment and enhanced piezoelectricity in tin nitride halide heterostructures
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Enhancement of the optical absorption of carbon group elements doped ZnS in the visible light range
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Electronic transport characteristics and nanodevice designs for β-HfNCl monolayer
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Chalcogens doped BaTiO3 for visible light photocatalytic hydrogen production from water splitting
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Quasiparticle band structures and optical properties of monolayer ZrNX (X=Cl, Br, I) under exciton effect
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Optical absorption enhancement of Hg-doped ZnX (X= S, Se) for hydrogen production from water splitting driven by solar energy
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General applications of density functional theory in photocatalysis
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Mass Synthesis of TiNCl Powder via Fluidized Bed Chemical Vapor Deposition
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Theoretical Design for Thorium-Containing Two-Dimensional Materials
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In Silico Band-Gap Engineering of Cr2C MXenes as Efficient Photocatalysts for Water-Splitting Reactions
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Photocatalytic Water Splitting Using Layered Zirconium Chloride Nitride
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Two-Dimensional Semiconducting ZrNX (X= Cl, Br, I) with a Janus Structure for Solar Energy Utilization
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Giant Thermoelectric Effect in Rare Earth Sulfoiodides
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Machine Learning-Assisted Screening of Hexagonal 2D van der Waals Bilayers for Photocatalysis
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Electronic, Optical, and Transport Properties and Strain Manipulation of the Two-Dimensional Janus M2N2ClBr (M = Si, Ge, Sn, Pb) Monolayers
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Monolayer Group IV–VI Monochalcogenides: Low-Dimensional Materials for Photocatalytic Water Splitting
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Mono- and Bilayer ZnSnN2 Sheets for Visible-Light Photocatalysis: First-Principles Predictions
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Improvement of Visible-Light Photocatalytic Efficiency in a Novel InSe/Zr 2 CO 2 Heterostructure for Overall Water Splitting
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Group 11 Transition-Metal Halide Monolayers: High Promises for Photocatalysis and Quantum Cutting
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Defect-Induced Sensitivity Improvement in HfNBr Monolayers for Ammonia Detection
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Computational Dissection of Two-Dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis
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Monolayer Sc2I2S2: An Excellent n-Type Thermoelectric Material with Significant Anisotropy
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High Thermoelectric Performance of Al2X2Se2 (X = Cl, Br, I) Monolayers with Strong Anisotropy in Lattice Thermal Conductivity
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Liquid-Phase Exfoliated GeSe Nanoflakes for Photoelectrochemical-Type Photodetectors and Photoelectrochemical Water Splitting
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Simulations of Anisotropic Monolayer GaSCl for p-Type Sub-10 nm High-Performance and Low-Power FETs
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Predicting Single-Layer Technetium Dichalcogenides (TcX2, X = S, Se) with Promising Applications in Photovoltaics and Photocatalysis
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Few-Layer P4O2: A Promising Photocatalyst for Water Splitting
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Emerging Mixed-Anion Semiconductors for Particulate Photocatalytic Water Splitting: Remarkable Structures and Innovative Fabrication Methods
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MXenoids: Generalization of MXene-Inspired Covalent Surface Modifications Across Two-Dimensional Materials
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Computational Screening of 2D Materials for Photocatalysis
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Two-dimensional semiconductors ZrNCl and HfNCl: Stability, electric transport, and thermoelectric properties
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Hydrothermal-assisted crystallization for the synthesis of upconversion nanoparticles/CdS/TiO 2 composite nanofibers by electrospinning
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Single-layer cadmium chalcogenides: promising visible-light driven photocatalysts for water splitting
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Review of two-dimensional materials for photocatalytic water splitting from a theoretical perspective
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MXene: a promising photocatalyst for water splitting
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Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting
inferred← citeshttps://doi.org/10.1039/c7nr07994jopenalex-snapshot
Versatile two-dimensional silicon diphosphide (SiP 2 ) for photocatalytic water splitting
inferred← citeshttps://doi.org/10.1039/c7ra01723eopenalex-snapshot
Single- and few-layer BiOI as promising photocatalysts for solar water splitting
inferred← citeshttps://doi.org/10.1039/c7ra08029hopenalex-snapshot
Arsenene/Ca(OH) 2 van der Waals heterostructure: strain tunable electronic and photocatalytic properties
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Two-dimensional multilayer M 2 CO 2 (M = Sc, Zr, Hf) as photocatalysts for hydrogen production from water splitting: a first principles study
inferred← citeshttps://doi.org/10.1039/c7ta09662copenalex-snapshot
Novel titanium nitride halide TiNX (X = F, Cl, Br) monolayers: potential materials for highly efficient excitonic solar cells
inferred← citeshttps://doi.org/10.1039/c8cp01463aopenalex-snapshot
Single-layer ZnMN 2 (M = Si, Ge, Sn) zinc nitrides as promising photocatalysts
inferred← citeshttps://doi.org/10.1039/c8cs00396copenalex-snapshot
Unique physicochemical properties of two-dimensional light absorbers facilitating photocatalysis
inferred← citeshttps://doi.org/10.1039/c8ra04569kopenalex-snapshot
Group-IVA element-doped SrIn 2 O 4 as potential materials for hydrogen production from water splitting with solar energy
inferred← citeshttps://doi.org/10.1039/c8ta12405aopenalex-snapshot
Flexible, auxetic and strain-tunable two dimensional penta-X 2 C family as water splitting photocatalysts with high carrier mobility
inferred← citeshttps://doi.org/10.1039/c9cp00011aopenalex-snapshot
Two-dimensional ferroelastic semiconductors in single-layer indium oxygen halide InOY (Y = Cl/Br)
inferred← citeshttps://doi.org/10.1039/c9nr09942eopenalex-snapshot
A promising photocatalyst for water-splitting reactions with a stable sandwiched P 4 O 2 /black phosphorus heterostructure and high solar-to-hydrogen efficiency
inferred← citeshttps://doi.org/10.1039/c9ta12600gopenalex-snapshot
Anomalous lattice thermal conductivity in layered MNCl (M = Zr, Hf) materials driven by lanthanide contraction
inferred← citeshttps://doi.org/10.1039/d0cp02241aopenalex-snapshot
Na-Based monolayer photocatalysts with an extremely high intrinsic electric-field for water splitting
inferred← citeshttps://doi.org/10.1039/d1cp01928gopenalex-snapshot
Thermoelectric performance of ZrNX (X = Cl, Br and I) monolayers
inferred← citeshttps://doi.org/10.1039/d1nr05250kopenalex-snapshot
Transition-metal nitride halide dielectrics for transition-metal dichalcogenide transistors
inferred← citeshttps://doi.org/10.1039/d1nr05889dopenalex-snapshot
The Z-scheme transfer of photogenerated electrons for CO 2 photocatalytic reduction over g-ZnO/2H-MoS 2 heterostructure
inferred← citeshttps://doi.org/10.1039/d2cp03105aopenalex-snapshot
The TiNI monolayer: a two-dimensional system with promising ferroelastic, topological, and thermoelectric properties
inferred← citeshttps://doi.org/10.1039/d3cp00413aopenalex-snapshot
Boron–pnictogen monolayers with a negative Poisson's ratio and excellent band edge positions for photocatalytic water splitting
inferred← citeshttps://doi.org/10.1039/d3cp02755dopenalex-snapshot
Strong anisotropy of Sc 2 X 2 Se 2 (X = Cl, Br, I) monolayers contributes to high thermoelectric performance
inferred← citeshttps://doi.org/10.1039/d3cp03826bopenalex-snapshot
A theoretical study of novel orthorhombic group-IVB nitride halide monolayers for photocatalytic overall water splitting
inferred← citeshttps://doi.org/10.1039/d3ra03340fopenalex-snapshot
First-principles study on the structure and electronic properties of M 2 CS x (M = Sc, Ti, Y, Zr and Hf, x = 1, 2)
inferred← citeshttps://doi.org/10.1039/d4cp00176aopenalex-snapshot
First principles predictions of structural, electronic and topological properties of two-dimensional Janus Ti 2 N 2 XI (X = Br, Cl) structures
inferred← citeshttps://doi.org/10.1039/d4cp04372copenalex-snapshot
Two-dimensional Janus X 2 SSe (X = Al, Ga or In) monolayers: potential photocatalysts with low effective mass
inferred← citeshttps://doi.org/10.1039/d5cy01542aopenalex-snapshot
The role of distinct metal cocatalysts in tuning β-ZrNBr for diverse photocatalytic applications
inferred← citeshttps://doi.org/10.1063/5.0079803openalex-snapshot
Theoretical design of two-dimensional visible light-driven photocatalysts for overall water splitting
inferred← citeshttps://doi.org/10.1063/5.0130728openalex-snapshot
Tunable anomalous valley Hall effect and magnetic phase transition in MHfN2Cl2 (M = V, Cr) bimetallic nitrogen halide monolayers
inferred← citeshttps://doi.org/10.1080/00268976.2019.1609706openalex-snapshot
Structural, elastic, electronic, andoptical properties of layered TiNX (X = F, Cl, Br, I) compounds: a density functional theory study
inferred← citeshttps://doi.org/10.1088/1361-6463/ab1ca2openalex-snapshot
Computational screening of MX ( M = Ga, Ge, Sn, In; X = As, Se) van der Waals heterostructures as suitable candidates for solar cells
inferred← citeshttps://doi.org/10.1088/1361-6463/ac5771openalex-snapshot
2D materials and heterostructures for photocatalytic water-splitting: a theoretical perspective
inferred← citeshttps://doi.org/10.1088/1361-648x/aa9305openalex-snapshot
Computational methods for 2D materials: discovery, property characterization, and application design
inferred← citeshttps://doi.org/10.1088/1361-648x/ab6f86openalex-snapshot
Titanium nitride halides monolayers: promising 2D anisotropic thermoelectric materials
inferred← citeshttps://doi.org/10.1088/1402-4896/ad19beopenalex-snapshot
Effect of uniaxial compressive strain on the thermoelectric properties of two-dimensional HfNF
inferred← citeshttps://doi.org/10.1088/1674-1056/ad1c59openalex-snapshot
Anomalous valley Hall effect in two-dimensional valleytronic materials
inferred← citeshttps://doi.org/10.1088/2053-1583/3/3/035018openalex-snapshot
Two-dimensional rectangular tantalum carbide halides TaCX (X = Cl, Br, I): novel large-gap quantum spin Hall insulators
inferred← citeshttps://doi.org/10.1103/physrevb.98.064512openalex-snapshot
Gate-controlled low carrier density superconductors: Toward the two-dimensional BCS-BEC crossover
inferred← citeshttps://doi.org/10.1103/physrevmaterials.9.025802openalex-snapshot
Two-dimensional TiNBr as photocatalyst for overall water splitting
inferred← citeshttps://doi.org/10.1109/led.2020.3000052openalex-snapshot
Ballistic Transport in High-Performance and Low-Power Sub-5 nm Two-Dimensional ZrNBr MOSFETs
inferred← citeshttps://doi.org/10.1142/s0218625x19501397openalex-snapshot
(Cu, Ag)-DOPED ZnS WITH WIDE VISIBLE LIGHT RANGE ABSORPTION FOR WATER SPLITTING: A THEORETICAL AND EXPERIMENTAL STUDY
inferred← citeshttps://doi.org/10.1186/s11671-018-2708-xopenalex-snapshot
Strain-Tunable Electronic Properties and Band Alignments in GaTe/C2N Heterostructure: a First-Principles Calculation
inferred← citeshttps://doi.org/10.1360/n032018-00099openalex-snapshot
Towards rational design of low-dimensional material: from structure prediction to molecular engineering
inferred← citeshttps://doi.org/10.1360/tb-2020-1039openalex-snapshot
Theoretical advances in two-dimensional materials for photocatalytic water splitting
inferred← citeshttps://doi.org/10.3390/condmat7020033openalex-snapshot
Superconductivity in the α-Form Layer Structured Metal Nitride Halide
inferred← citeshttps://doi.org/10.3390/ma19142998openalex-snapshot
Ammonia-Mediated Bulk Synthesis of Layered Nitride Materials
inferred← citeshttps://doi.org/10.5204/thesis.eprints.116196openalex-snapshot
Computational Discovery and Electronic Engineering in Nanomaterials for Photovoltaic and Electronic Applications
inferred← citeshttps://doi.org/10.5204/thesis.eprints.134244openalex-snapshot
Computational Exploration of Two-dimensional (2D) Materials for Solar Energy Applications
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