Effects of functional groups and anion size on the charging mechanisms in layered electrode materials
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journal
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December 2020 |
Screening MXenes for novel anode material of lithium-ion batteries with high capacity and stability: A DFT calculation
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December 2021 |
Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2−xNx(OH)2 from DFTB calculations
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November 2013 |
Tailoring Electronic and Optical Properties of MXenes through Forming Solid Solutions
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October 2020 |
Proton Redox and Transport in MXene-Confined Water
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December 2019 |
Hybrid density functional study of structural and electronic properties of functionalized Ti n + 1 X n ( X = C , N) monolayers
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June 2013 |
Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides
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April 2014 |
Effect of surface functionalization on the electronic transport properties of Ti 3 C 2 MXene
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September 2015 |
Covalent surface modifications and superconductivity of two-dimensional metal carbide MXenes
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July 2020 |
Two-Dimensional Transition Metal Carbides
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January 2012 |
Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method: Sc, Ti, Fe, Co, and Ni
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journal
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May 2007 |
An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving Titanium
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December 2009 |
Advances in Density-Functional Calculations for Materials Modeling
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July 2019 |
Effect of Synthesis on Quality, Electronic Properties and Environmental Stability of Individual Monolayer Ti 3 C 2 MXene Flakes
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November 2016 |
Two-dimensional transition metal carbides and/or nitrides (MXenes) and their applications in sensors
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November 2021 |
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties
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March 2021 |
Control of MXenes’ electronic properties through termination and intercalation
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January 2019 |
Effects of Synthesis and Processing on Optoelectronic Properties of Titanium Carbonitride MXene
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March 2019 |
Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling
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journal
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October 2017 |
Distinguishing electronic contributions of surface and sub-surface transition metal atoms in Ti-based MXenes
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journal
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February 2020 |
Superior structural, elastic and electronic properties of 2D titanium nitride MXenes over carbide MXenes: a comprehensive first principles study
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July 2018 |
Vacancy-mediated lithium adsorption and diffusion on MXene
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journal
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September 2019 |
Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
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April 2016 |
Tuning of anisotropic electrical conductivity and enhancement of EMI shielding of polymer composite foam via CO2-assisted delamination and orientation of MXene
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journal
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July 2021 |
Boosting electrosynthesis of ammonia on surface-engineered MXene Ti3C2
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June 2020 |
Fermiology of two-dimensional titanium carbide and nitride MXenes
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July 2021 |
Pre-Sodiated Ti 3 C 2 T x MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors
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January 2021 |
Guidelines for Synthesis and Processing of Two-Dimensional Titanium Carbide (Ti 3 C 2 T x MXene)
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September 2017 |
Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2
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August 2011 |
High electrical conductivity and breakdown current density of individual monolayer Ti3C2T MXene flakes
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journal
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April 2021 |
Pillared Structure Design of MXene with Ultralarge Interlayer Spacing for High-Performance Lithium-Ion Capacitors
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January 2017 |
Surface Termination Dependent Work Function and Electronic Properties of Ti 3 C 2 T x MXene
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December 2018 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
Scalable Manufacturing of Free‐Standing, Strong Ti 3 C 2 T x MXene Films with Outstanding Conductivity
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April 2020 |
Structural and Electronic Properties and Stability of MX enes Ti 2 C and Ti 3 C 2 Functionalized by Methoxy Groups
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journal
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June 2013 |
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
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journal
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March 2020 |
Chemical Origin of Termination-Functionalized MXenes: Ti 3 C 2 T 2 as a Case Study
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August 2017 |
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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journal
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September 2012 |
Non-equilibrium Green's functions in density functional tight binding: method and applications
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journal
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June 2008 |
Unraveling the Charge Storage Mechanism of Ti 3 C 2 T x MXene Electrode in Acidic Electrolyte
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August 2020 |
Alkali Metal Intercalation in MXene/Graphene Heterostructures: A New Platform for Ion Battery Applications
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journal
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January 2019 |
Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides
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December 2012 |
Computational Insights into Charge Storage Mechanisms of Supercapacitors
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September 2020 |
2D metal carbides and nitrides (MXenes) for energy storage
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journal
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January 2017 |
Flexible and conductive MXene films and nanocomposites with high capacitance
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November 2014 |
pH-Dependent Distribution of Functional Groups on Titanium-Based MXenes
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July 2019 |