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Tunable Indirect to Direct Band Gap Transition of Monolayer Sc2CO2 by the Strain Effect

https://doi.org/10.1021/am504233d
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What this work says

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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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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inferredcites →https://doi.org/10.1016/j.commatsci.2013.11.025openalex-snapshot
First-principles study on structural, electronic and elastic properties of graphene-like hexagonal Ti2C monolayer
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MXene: a promising transition metal carbide anode for lithium-ion batteries
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Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2−xNx(OH)2 from DFTB calculations
inferredcites →https://doi.org/10.1016/j.matchemphys.2013.01.008openalex-snapshot
Kinetics of aluminum extraction from Ti3AlC2 in hydrofluoric acid
inferredcites →https://doi.org/10.1016/j.matlet.2013.07.102openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.pmatsci.2013.04.003openalex-snapshot
Graphene-analogous low-dimensional materials
inferredcites →https://doi.org/10.1021/cm500641aopenalex-snapshot
Transparent Conductive Two-Dimensional Titanium Carbide Epitaxial Thin Films
inferredcites →https://doi.org/10.1021/ja308463ropenalex-snapshot
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New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries
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Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide
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Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides
inferredcites →https://doi.org/10.1021/jp401820bopenalex-snapshot
Structural and Electronic Properties and Stability of MXenes Ti2C and Ti3C2 Functionalized by Methoxy Groups
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MXene: A New Family of Promising Hydrogen Storage Medium
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Band Gap Engineering of SnO 2 by Epitaxial Strain: Experimental and Theoretical Investigations
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The New Skinny in Two-Dimensional Nanomaterials
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Recent advances in free-standing two-dimensional crystals with atomic thickness: design, assembly and transfer strategies
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Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
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.59.1758openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevb.81.220102openalex-snapshot
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inferredcites →https://doi.org/10.1103/physrevb.83.193403openalex-snapshot
First-principles study of strain-induced modulation of energy gaps of graphene/BN and BN bilayers
inferredcites →https://doi.org/10.1103/physrevb.85.033305openalex-snapshot
Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H- MX2 semiconductors ( M = Mo, W; X = S, Se, Te)
inferredcites →https://doi.org/10.1103/physrevb.87.125415openalex-snapshot
Phonon softening and direct to indirect band gap crossover in strained single-layer MoSe 2
inferredcites →https://doi.org/10.1103/physrevb.87.155304openalex-snapshot
Quasiparticle band structures and optical properties of strained monolayer MoS 2 and WS 2
inferredcites →https://doi.org/10.1103/physrevb.87.245307openalex-snapshot
First-principles analysis of MoS 2 /Ti 2 C and MoS 2 /Ti 2 C Y 2 ( Y = F and OH) all-2D semiconductor/metal contacts
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1126/science.1158877openalex-snapshot
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inferredcites →https://doi.org/10.1126/science.1241488openalex-snapshot
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inferredcites →https://doi.org/10.1209/0295-5075/101/57004openalex-snapshot
Correlation effects and spin-orbit interactions in two-dimensional hexagonal 5d transition metal carbides, Ta n+1 C n (n = 1,2,3)

What points at this work

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

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Effects of electric field and biaxial strain on the (NO2, NO, O2, and SO2) gas adsorption properties of Sc2CO2 monolayer
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Effect of Hydrogen concentration on the structural, electronic and optical properties of 2D monolayer MXenes: DFT study
inferred← citeshttps://doi.org/10.1016/j.surfin.2025.107772openalex-snapshot
Strain-modulated photocatalytic hydrogen production and storage capacity analysis of Li2S monolayer: A DFT approach
inferred← citeshttps://doi.org/10.1016/j.susc.2023.122413openalex-snapshot
Effect of mixed surface terminations on the work function and quantum capacitance of Sc2CT2 monolayer
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.susmat.2022.e00516openalex-snapshot
Insights into electronic and magnetic properties of MXenes: From a fundamental perspective
inferred← citeshttps://doi.org/10.1016/j.vacuum.2020.109574openalex-snapshot
First-principles study of biaxial strain effect on NH3 adsorbed Ti2CO2 monolayer
inferred← citeshttps://doi.org/10.1016/j.vacuum.2023.112016openalex-snapshot
Biaxial strain tunable electronic properties, photocatalytic properties and quantum capacitance of Sc2CO2 MXenes
inferred← citeshttps://doi.org/10.1016/j.vacuum.2024.113407openalex-snapshot
The external electric field induces Rashba and Zeeman spin splitting in non-polar MXene Lu2CF2 monolayers for spintronics application
inferred← citeshttps://doi.org/10.1021/acs.chemmater.5b01623openalex-snapshot
Effect of Postetch Annealing Gas Composition on the Structural and Electrochemical Properties of Ti 2 CT x MXene Electrodes for Supercapacitor Applications
inferred← citeshttps://doi.org/10.1021/acs.chemmater.9b04408openalex-snapshot
MXene/Polymer Membranes: Synthesis, Properties, and Emerging Applications
inferred← citeshttps://doi.org/10.1021/acs.chemrev.2c00048openalex-snapshot
Engineering van der Waals Materials for Advanced Metaphotonics
inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00348openalex-snapshot
Rational Design of Flexible Two-Dimensional MXenes with Multiple Functionalities
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c03622openalex-snapshot
In Silico Band-Gap Engineering of Cr2C MXenes as Efficient Photocatalysts for Water-Splitting Reactions
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b01819openalex-snapshot
Theoretical and Experimental Study on M II M III -Layered Double Hydroxides as Efficient Photocatalysts toward Oxygen Evolution from Water
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b08300openalex-snapshot
Effects of the Interlayer Interaction and Electric Field on the Band Gap of Polar Bilayers: A Case Study of Sc2CO2
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6c03540openalex-snapshot
Polarization-Inducible Metal–Semiconductor Transition and Bifunctional Catalysis in Sc2CO2/ZrSeO Heterostructures
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b07921openalex-snapshot
Monolayer Sc 2 CO 2 : A Promising Candidate as a SO 2 Gas Sensor or Capturer
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b00142openalex-snapshot
Mechanistic Quantification of Thermodynamic Stability and Mechanical Strength for Two-Dimensional Transition-Metal Carbides
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b00905openalex-snapshot
Layered Hexagonal Oxycarbides, Mn+1AO2Xn (M = Sc, Y, La, Cr, and Mo; A = Ca; X = C): Unexpected Photovoltaic Ceramics
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c02282openalex-snapshot
Computational Investigation on Cr-Doped Sc2CO2 MXene under Strain for Electronic Properties, Quantum Capacitance, and Photocatalytic Activity
inferred← citeshttps://doi.org/10.1021/acs.nanolett.5c03053openalex-snapshot
Multiple Hall Effects in Antiferromagnetic-Ferroelectric Heterostructures
inferred← citeshttps://doi.org/10.1021/acsaelm.4c01386openalex-snapshot
Electronic and Interfacial Properties of 2D MXene/Blue Phosphorene Heterostructures: Impact of External Strain for Thermoelectric Applications
inferred← citeshttps://doi.org/10.1021/acsami.2c10661openalex-snapshot
Laser Shock-Induced Nano-Twist of Transition Metal Dichalcogenides
inferred← citeshttps://doi.org/10.1021/acsami.5b00063openalex-snapshot
Achieving Type I, II, and III Heterojunctions Using Functionalized MXene
inferred← citeshttps://doi.org/10.1021/acsami.5b05401openalex-snapshot
Half-Metallic Ferromagnetism and Surface Functionalization-Induced Metal–Insulator Transition in Graphene-like Two-Dimensional Cr 2 C Crystals
inferred← citeshttps://doi.org/10.1021/acsami.9b00439openalex-snapshot
Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities
inferred← citeshttps://doi.org/10.1021/acsanm.2c02713openalex-snapshot
Electrospun MXene Nanosheet/Polymer Composites for Electromagnetic Shielding and Microwave Absorption: A Review
inferred← citeshttps://doi.org/10.1021/acsnano.5c13247openalex-snapshot
Dual Engineering of Electronic and Mechanical Properties via Heterocontact–Curvature Interfaces for Ultra-Stable K-Ion Storage
inferred← citeshttps://doi.org/10.1021/acsomega.0c02215openalex-snapshot
Strain-Induced Band Modulation, Work Function, and QTAIM Analysis of Surface O-Functionalized Ti2C MXene
inferred← citeshttps://doi.org/10.1021/acsomega.1c06027openalex-snapshot
Monolayer Sc2CF2 as a Potential Selective and Sensitive NO2 Sensor: Insight from First-Principles Calculations
inferred← citeshttps://doi.org/10.1021/acsomega.2c05037openalex-snapshot
Electronic Nature Transition and Magnetism Creation in Vacancy-Defected Ti2CO2 MXene under Biaxial Strain: A DFTB + U Study
inferred← citeshttps://doi.org/10.1021/acsomega.3c03102openalex-snapshot
External Electric Field-Induced the Modulation of the Band Gap and Quantum Capacitance of F-Functionalized Two-Dimensional Sc2C
inferred← citeshttps://doi.org/10.1021/acssensors.2c01046openalex-snapshot
A Family of 2D-MXenes: Synthesis, Properties, and Gas Sensing Applications
inferred← citeshttps://doi.org/10.1021/ar500346bopenalex-snapshot
Synthesis of Two-Dimensional Materials by Selective Extraction
inferred← citeshttps://doi.org/10.1021/cm503983bopenalex-snapshot
Nanocrystalline Group IV Alloy Semiconductors: Synthesis and Characterization of Ge1–xSnx Quantum Dots for Tunable Bandgaps
inferred← citeshttps://doi.org/10.1038/natrevmats.2016.98openalex-snapshot
2D metal carbides and nitrides (MXenes) for energy storage
inferred← citeshttps://doi.org/10.1038/s41467-023-44453-yopenalex-snapshot
Fractional quantum ferroelectricity
inferred← citeshttps://doi.org/10.1038/s41578-022-00451-yopenalex-snapshot
Two-dimensional diamonds from sp2-to-sp3 phase transitions
inferred← citeshttps://doi.org/10.1038/s41699-019-0117-3openalex-snapshot
Inkjet-printed MXene micro-scale devices for integrated broadband ultrafast photonics
inferred← citeshttps://doi.org/10.1039/9781837674787-00175openalex-snapshot
Advanced 2D MXene Nanomaterial-based Electrochemical Sensors for Food Analysis
inferred← citeshttps://doi.org/10.1039/c5nr08639fopenalex-snapshot
Promising electron mobility and high thermal conductivity in Sc 2 CT 2 (T = F, OH) MXenes
inferred← citeshttps://doi.org/10.1039/c5ra01586copenalex-snapshot
The band gap modulation of monolayer Ti 2 CO 2 by strain
inferred← citeshttps://doi.org/10.1039/c6cp00138fopenalex-snapshot
Investigation of magnetic and electronic properties of transition metal doped Sc 2 CT 2 (T = O, OH or F) using a first principles study
inferred← citeshttps://doi.org/10.1039/c6ra14101copenalex-snapshot
Tunable electronic structures in MPX 3 (M = Zn, Cd; X = S, Se) monolayers by strain engineering
inferred← citeshttps://doi.org/10.1039/c6ta04414jopenalex-snapshot
MXene: a promising photocatalyst for water splitting
inferred← citeshttps://doi.org/10.1039/c6ta06772gopenalex-snapshot
Recent progress in layered transition metal carbides and/or nitrides (MXenes) and their composites: synthesis and applications
inferred← citeshttps://doi.org/10.1039/c6tc01287fopenalex-snapshot
High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes
inferred← citeshttps://doi.org/10.1039/c6tc03917kopenalex-snapshot
New two-dimensional Mn-based MXenes with room-temperature ferromagnetism and half-metallicity
inferred← citeshttps://doi.org/10.1039/c7cp05816kopenalex-snapshot
N-Functionalized MXenes: ultrahigh carrier mobility and multifunctional properties
inferred← citeshttps://doi.org/10.1039/c7cp06224aopenalex-snapshot
Theoretical exploration of the potential applications of Sc-based MXenes
inferred← citeshttps://doi.org/10.1039/c7cp08108aopenalex-snapshot
Zr 2 Si: an antiferromagnetic Dirac MXene
inferred← citeshttps://doi.org/10.1039/c7tc00140aopenalex-snapshot
Electronic properties and applications of MXenes: a theoretical review
inferred← citeshttps://doi.org/10.1039/c7tc01765kopenalex-snapshot
Band gap modification in doped MXene: Sc 2 CF 2
inferred← citeshttps://doi.org/10.1039/c7tc02384gopenalex-snapshot
Tuning electronic structures of Sc 2 CO 2 /MoS 2 polar–nonpolar van der Waals heterojunctions: interplay of internal and external electric fields
inferred← citeshttps://doi.org/10.1039/c8cs00324fopenalex-snapshot
Applications of 2D MXenes in energy conversion and storage systems
inferred← citeshttps://doi.org/10.1039/c8nr01292jopenalex-snapshot
Bipolar magnetic semiconductors among intermediate states during the conversion from Sc 2 C(OH) 2 to Sc 2 CO 2 MXene
inferred← citeshttps://doi.org/10.1039/c8ra03077dopenalex-snapshot
Adsorptive environmental applications of MXene nanomaterials: a review
inferred← citeshttps://doi.org/10.1039/d0cp03968copenalex-snapshot
Strain-dependent anisotropic nonlinear optical response in two-dimensional functionalized MXene Sc 2 CT 2 (T = O and OH)
inferred← citeshttps://doi.org/10.1039/d0ma00548gopenalex-snapshot
The tunable electric and magnetic properties of 2D MXenes and their potential applications
inferred← citeshttps://doi.org/10.1039/d0nj03545aopenalex-snapshot
Gas adsorption properties (N 2 , H 2 , O 2 , NO, NO 2 , CO, CO 2 , and SO 2 ) on a Sc 2 CO 2 monolayer: a first-principles study
inferred← citeshttps://doi.org/10.1039/d0se01097aopenalex-snapshot
Blue phosphorene/Sc 2 CX 2 (X = O, F) van der Waals heterostructures as suitable candidates for water-splitting photocatalysts and solar cells
inferred← citeshttps://doi.org/10.1039/d0ta11103aopenalex-snapshot
Two-dimensional MXene-based flexible nanostructures for functional nanodevices: a review
inferred← citeshttps://doi.org/10.1039/d1cp04359eopenalex-snapshot
Influence of doping with selected organic molecules on the magnetic and electronic properties of bare, surface terminated and defect patterned Ti 2 C MXene monolayers
inferred← citeshttps://doi.org/10.1039/d1qm00422kopenalex-snapshot
Research on metallic chalcogen-functionalized monolayer-puckered V 2 CX 2 (X = S, Se, and Te) as promising Li-ion battery anode materials
inferred← citeshttps://doi.org/10.1039/d1tc06029eopenalex-snapshot
A strategic review of MXenes as emergent building blocks for future two-dimensional materials: recent progress and perspectives
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/d2ta01572bopenalex-snapshot
2D single- and few-layered MXenes: synthesis, applications and perspectives
inferred← citeshttps://doi.org/10.1039/d2tc00246aopenalex-snapshot
Optical gaps and excitons in semiconducting transition metal carbides (MXenes)
inferred← citeshttps://doi.org/10.1039/d3cp04191copenalex-snapshot
First-principles studies on the electronic and photocatalytic water splitting properties of surface functionalized Y 2 C-based MXenes
inferred← citeshttps://doi.org/10.1039/d3ta01590dopenalex-snapshot
Recent advances in MXenes: beyond Ti-only systems
inferred← citeshttps://doi.org/10.1039/d4cp01810aopenalex-snapshot
Modulation of the electronic and magnetic properties of an MnCrNO 2 ferromagnetic semiconductor MXene
inferred← citeshttps://doi.org/10.1039/d4cp01879fopenalex-snapshot
Regulating the electronic properties, quantum capacitance and photocatalytic activity of Sc 2 CO 2 based on Y doping and strain
inferred← citeshttps://doi.org/10.1039/d6nj00273kopenalex-snapshot
BaTiO 2 @MXene nanocomposites as efficient photocatalysts for organic dye degradation
inferred← citeshttps://doi.org/10.1063/1.4967983openalex-snapshot
Tunable electronic and magnetic properties of Cr2M′C2T2 (M′ = Ti or V; T = O, OH or F)
inferred← citeshttps://doi.org/10.1063/1.5042828openalex-snapshot
Controlling topological electronic structure of multifunctional MXene layer
inferred← citeshttps://doi.org/10.1063/1.5078713openalex-snapshot
Strain effects on electronic and magnetic properties of the monolayer α-RuCl3: A first-principles and Monte Carlo study
inferred← citeshttps://doi.org/10.1063/1.5082884openalex-snapshot
Van der Waals heterostructures of P, BSe, and SiC monolayers
inferred← citeshttps://doi.org/10.1063/5.0051405openalex-snapshot
Fermi level modulation of boron nitride nanosheets by vacancy driven compressive strain
inferred← citeshttps://doi.org/10.1063/5.0212735openalex-snapshot
Engineering photoelectric conversion efficiency in two-dimensional ferroelectric Cs2PbI2Cl2/Sc2CO2 heterostructures
inferred← citeshttps://doi.org/10.1080/10408347.2023.2298339openalex-snapshot
Molecularly Imprinted Polymer-Based Sensors Integrated with Transition Metal Dichalcogenides (TMDs) and MXenes: A Review
inferred← citeshttps://doi.org/10.1088/1361-648x/ab0d70openalex-snapshot
Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure: an ab initio study
inferred← citeshttps://doi.org/10.1088/1361-648x/adb40aopenalex-snapshot
Polarization-mediated electronic characteristics in Sc2CO2-based 2D metal–ferroelectric heterostructures
inferred← citeshttps://doi.org/10.1088/1361-6528/abd8afopenalex-snapshot
Two-dimensional ScN with high carrier mobility and unexpected mechanical properties
inferred← citeshttps://doi.org/10.1088/1361-6528/abea37openalex-snapshot
Computational insights into modulating the performance of MXene based electrode materials for rechargeable batteries
inferred← citeshttps://doi.org/10.1088/1674-1056/26/1/017806openalex-snapshot
Tunable band gap and optical properties of surface functionalized Sc 2 C monolayer
inferred← citeshttps://doi.org/10.1088/2053-1591/2/11/116101openalex-snapshot
Self-interaction corrected LDA + U investigations of BiFeO3properties: plane-wave pseudopotential method
inferred← citeshttps://doi.org/10.1088/2053-1591/ab0e1eopenalex-snapshot
Strain engineering and electric field tunable electronic properties of Ti2CO2 MXene monolayer
inferred← citeshttps://doi.org/10.1088/2515-7655/abceacopenalex-snapshot
Harnessing the unique properties of MXenes for advanced rechargeable batteries
inferred← citeshttps://doi.org/10.1088/2515-7655/abf8f7openalex-snapshot
MXene-based electromagnetic wave response
inferred← citeshttps://doi.org/10.1103/physrevapplied.20.044066openalex-snapshot
Polarization-direction-controlled Z-scheme photocatalytic switch in Sc2CO2/PtS2 heterostructures: A first-principles study
inferred← citeshttps://doi.org/10.1103/physrevapplied.23.054085openalex-snapshot
Interlayer-enhanced magnetoresistance and electroresistance in V Se 2 / Sc 2 CO 2 / Ni Cl Br / V Se 2 van der Waals multiferroic tunnel junctions
inferred← citeshttps://doi.org/10.1103/physrevb.92.075411openalex-snapshot
OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials
inferred← citeshttps://doi.org/10.1103/physrevb.92.155142openalex-snapshot
Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides
inferred← citeshttps://doi.org/10.1103/physrevb.93.115412openalex-snapshot
First-principles study of size- and edge-dependent properties of MXene nanoribbons
inferred← citeshttps://doi.org/10.1109/jsen.2020.3032952openalex-snapshot
Application of Nanomaterials for Chemical and Biological Sensors: A Review
inferred← citeshttps://doi.org/10.1116/6.0000040openalex-snapshot
Colloidal synthesis, physical properties, and applications of zero- and one-dimensional GeSn nanostructures
inferred← citeshttps://doi.org/10.1140/epjp/s13360-024-05326-5openalex-snapshot
Strain manipulates the electric, elastic, thermal, and optical properties of MXene Lu2CT2 (T = F, OH)
inferred← citeshttps://doi.org/10.1209/0295-5075/111/26007openalex-snapshot
Role of the surface effect on the structural, electronic and mechanical properties of the carbide MXenes
inferred← citeshttps://doi.org/10.1515/nanoph-2019-0556openalex-snapshot
MXenes: focus on optical and electronic properties and corresponding applications
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