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Optoelectronic Properties of Nb2C/MoS2 van der Waals Heterostructures: A DFT Investigation

https://doi.org/10.2139/ssrn.7438754
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Flatten the Li‐ion Activation in Perfectly Lattice‐Matched MXene and 1T‐MoS2 Heterostructures via Chemical Functionalization
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A Comprehensive Review of Mxene‐Based Emerging Materials for Energy Storage Applications and Future Perspectives
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Tuning the catalytic activity of Nb2C MXenes via surface functionalization and defects
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First principles insight on the stability and multiple properties of the Nb2CS2 MXene/MS2 (M=W, Mo, Ta) heterojunction structure
inferredcites →https://doi.org/10.1016/j.est.2020.101446openalex-snapshot
MoS2 Confined MXene Heterostructures as Electrode Material for Energy Storage Application
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Recent progress in two-dimensional Nb2C MXene for applications in energy storage and conversion
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Recent development in 2D materials beyond graphene
inferredcites →https://doi.org/10.1021/acs.chemmater.1c01264openalex-snapshot
Functionalizing MXenes by Tailoring Surface Terminations in Different Chemical Environments
inferredcites →https://doi.org/10.1021/acs.energyfuels.3c02714openalex-snapshot
Quantum Capacitance of Two-Dimensional-Material-Based Supercapacitor Electrodes
inferredcites →https://doi.org/10.1021/acs.jpcc.3c07443openalex-snapshot
Improved Charge Storage Capacity of Supercapacitor Electrodes by Engineering Surfaces: The Case of Janus MXenes
inferredcites →https://doi.org/10.1021/acsaem.4c02504openalex-snapshot
Unveiling the Dual Potential of the MoS2@VS2 Nanocomposite as an Efficient Electrocatalyst for Hydrogen and Oxygen Evolution Reactions
inferredcites →https://doi.org/10.1021/acsaenm.5c00830openalex-snapshot
Investigating Stability, Thermomechanical, Optoelectronic, and Hydrogen Storage Potential of MgXH 3 (X = Ga, Tl) Perovskites via DFT and AIMD Simulations
inferredcites →https://doi.org/10.1021/acssuschemeng.4c07482openalex-snapshot
Computational Screening of Asymmetric Dual Sites by Bader Charge Variation Facilitates C–C Coupling for CO2 Photoreduction to C2H4
inferredcites →https://doi.org/10.1021/jp2012914openalex-snapshot
DFT Studies on the Interaction of Defective Graphene-Supported Fe and Al Nanoparticles
inferredcites →https://doi.org/10.1038/nature12385openalex-snapshot
Van der Waals heterostructures
inferredcites →https://doi.org/10.1039/c5ra25028eopenalex-snapshot
Investigations on Nb 2 C monolayer as promising anode material for Li or non-Li ion batteries from first-principles calculations
inferredcites →https://doi.org/10.1039/c7ra05856jopenalex-snapshot
Structural, mechanical and electronic properties of Nb 2 C: first-principles calculations
inferredcites →https://doi.org/10.1039/d1ma00625hopenalex-snapshot
Surface functionalization of MXenes
inferredcites →https://doi.org/10.1039/d1ma00806dopenalex-snapshot
van der Waals graphene/MoS 2 heterostructures: tuning the electronic properties and Schottky barrier by applying a biaxial strain
inferredcites →https://doi.org/10.1063/1.3382344openalex-snapshot
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1063/1.5033300openalex-snapshot
Integrated and differential quantum capacitance of graphene: A DFT study
inferredcites →https://doi.org/10.1088/1361-6463/aba21bopenalex-snapshot
Electronic structures and electron–phonon superconductivity of Nb 2 C-based MXenes
inferredcites →https://doi.org/10.1088/1757-899x/1300/1/012001openalex-snapshot
Computational insights into the electronic structure of functionalized monolayer hBN supercapacitor electrodes
inferredcites →https://doi.org/10.1088/2053-1591/ad1356openalex-snapshot
MXene-GaAs heterojunctions: interface modeling, electronic properties and optical absorption
inferredcites →https://doi.org/10.1103/physrevb.105.235444openalex-snapshot
Covalent and van der Waals interactions in a vertical heterostructure composed of boron and carbon
inferredcites →https://doi.org/10.1103/physrevb.106.085412openalex-snapshot
Theoretical studies of valleytronic and optical properties in monolayer MoP2X2Y2 (XY=BTe,AlS,andGaS)
inferredcites →https://doi.org/10.1103/physrevb.108.075416openalex-snapshot
Electronic properties of twisted Sb/WTe2 van der Waals heterostructure with controllable band gap, band alignment, and spin splitting
inferredcites →https://doi.org/10.1103/physrevb.108.184423openalex-snapshot
Strong magnetic proximity effect in van der Waals heterostructures driven by direct hybridization
inferredcites →https://doi.org/10.1103/physrevb.111.094518openalex-snapshot
Metal-to-superconductor transition induced by lithium adsorption on monolayer 1 T − Nb 2 C
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
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/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevmaterials.6.024004openalex-snapshot
Structural and energetic properties of vacancy defects in MXene surfaces
inferredcites →https://doi.org/10.1103/physrevmaterials.6.094011openalex-snapshot
Heterointerface effects of lithium intercalation and diffusion in van der Waals heterostructures
inferredcites →https://doi.org/10.1201/9781003306511openalex-snapshot
MXenes
inferredcites →https://doi.org/10.1201/9781003306511-2openalex-snapshot
The Rise of MXenes
inferredcites →https://doi.org/10.3390/membranes11070543openalex-snapshot
First-Principles Density Functional Theory Calculations of Bilayer Membranes Heterostructures of Ti3C2T2 (MXene)/Graphene and AgNPs
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