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Effect of the sulfur termination on the properties of Hf 2 CO 2 MXene

https://doi.org/10.1039/d2cp00288d
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti 3 AlC 2
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25th Anniversary Article: MXenes: A New Family of Two‐Dimensional Materials
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Theranostic 2D Tantalum Carbide (MXene)
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Sulfur Cathodes Based on Conductive MXene Nanosheets for High‐Performance Lithium–Sulfur Batteries
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Effect of the damping function in dispersion corrected density functional theory
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Recent Advances in Layered Ti 3 C 2 T x MXene for Electrochemical Energy Storage
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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S-functionalized MXenes as electrode materials for Li-ion batteries
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Anchoring effects of S-terminated Ti2C MXene for lithium-sulfur batteries: A first-principles study
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A novel highly selective and sensitive NH3 gas sensor based on monolayer Hf2CO2
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Role of surface morphology and terminating groups in titanium carbide MXenes (Ti3C2Tx) cocatalysts with engineering aspects for modulating solar hydrogen production: A critical review
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Structural and thermodynamic properties of SbAsGa2 and SbPGa2 chalcopyrites
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Stability and electronic properties of sulfur terminated two-dimensional early transition metal carbides and nitrides (MXene)
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Structural, electronic and mechanical properties of two-dimensional Janus transition metal carbides and nitrides
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Thermoelectric Performance of the MXenes M 2 CO 2 (M = Ti, Zr, or Hf)
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In Situ XANES/XRD Study of the Structural Stability of Two-Dimensional Molybdenum Carbide Mo2CTx: Implications for the Catalytic Activity in the Water–Gas Shift Reaction
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First-Principles Investigation of Ti 2 CSO and Ti 2 CSSe Janus MXene Structures for Li and Mg Electrodes
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An Empirical, yet Practical Way To Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations
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Atomically Resolved Structural and Chemical Investigation of Single MXene Sheets
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MXenes: New Horizons in Catalysis
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A Classification of Covalent, Ionic, and Metallic Solids Based on the Electron Density
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Revealing Noncovalent Interactions
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Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti 3 C 2 and Ti 3 C 2 X 2 (X = F, OH) Monolayer
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Atomic-Scale Recognition of Surface Structure and Intercalation Mechanism of Ti 3 C 2 X
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Elastic Constants and Pressure-Induced Effects in MoS2
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Two-Dimensional Transition Metal Carbides
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Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries
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2D metal carbides and nitrides (MXenes) for energy storage
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The thermal and electrical properties of the promising semiconductor MXene Hf2CO2
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Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage
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Vibrational properties of Ti 3 C 2 and Ti 3 C 2 T 2 (T = O, F, OH) monosheets by first-principles calculations: a comparative study
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Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses
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2D-HfS 2 as an efficient photocatalyst for water splitting
inferredcites →https://doi.org/10.1039/c6ra18179aopenalex-snapshot
First principles study of silicene symmetrically and asymmetrically functionalized with halogen atoms
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MXene: a promising photocatalyst for water splitting
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Weak C–H⋯F–C hydrogen bonds make a big difference in graphane/fluorographane and fluorographene/fluorographane bilayers
inferredcites →https://doi.org/10.1039/c8nr03221aopenalex-snapshot
Effect of mixed surface terminations on the structural and electrochemical properties of two-dimensional Ti 3 C 2 T 2 and V 2 CT 2 MXenes multilayers
inferredcites →https://doi.org/10.1039/c9ra10087copenalex-snapshot
HfS 2 /MoTe 2 vdW heterostructure: bandstructure and strain engineering based on first-principles calculation
inferredcites →https://doi.org/10.1039/d0ra04725bopenalex-snapshot
Two-dimensional graphene–HfS 2 van der Waals heterostructure as electrode material for alkali-ion batteries
inferredcites →https://doi.org/10.1039/d1cp03838aopenalex-snapshot
Mechanical, electronic and optical properties of a novel B 2 P 6 monolayer: ultrahigh carrier mobility and strong optical absorption
inferredcites →https://doi.org/10.1039/d1cp04069copenalex-snapshot
Low-dimensional HfS 2 as SO 2 adsorbent and gas sensor: effect of water and sulfur vacancies
inferredcites →https://doi.org/10.1063/1.1564060openalex-snapshot
Hybrid functionals based on a screened Coulomb potential
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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A unified formulation of the constant temperature molecular dynamics methods
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Nosé–Hoover chains: The canonical ensemble via continuous dynamics
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A molecular dynamics method for simulations in the canonical ensemble
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Ab initiocalculations of bismuth properties, including spin–orbit coupling
inferredcites →https://doi.org/10.1088/0031-8949/84/02/025704openalex-snapshot
Effect of pressure on the global and local properties of cubic perovskite crystals
inferredcites →https://doi.org/10.1093/oso/9780198551683.001.0001openalex-snapshot
Atoms in Molecules
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.55.10355openalex-snapshot
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.71.224407openalex-snapshot
Magnetism and superconductivity in McTa2S2C ( M=Fe , Co, Ni, and Cu)
inferredcites →https://doi.org/10.1103/physrevb.85.125428openalex-snapshot
Mechanical properties of graphene and boronitrene
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1126/science.1241488openalex-snapshot
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide
inferredcites →https://doi.org/10.1126/science.aag2421openalex-snapshot
Electromagnetic interference shielding with 2D transition metal carbides (MXenes)
inferredcites →https://doi.org/10.1126/science.abf1581openalex-snapshot
The world of two-dimensional carbides and nitrides (MXenes)
inferredcites →https://doi.org/10.3389/fchem.2021.796695openalex-snapshot
Ab Initio Calculations for the Electronic, Interfacial and Optical Properties of Two-Dimensional AlN/Zr2CO2 Heterostructure

What points at this work

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

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Substitutional Engineering in 2D MXenes: Advanced Characteristics for Performance in Photocatalytic Hydrogen Production and CO 2 Reduction
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