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Theoretical Insights into MXene Termination and Surface Charge Regulation

Journal Article · · Journal of Physical Chemistry. C
 [1];  [1];  [2];  [1]
  1. Department of Chemical and Environmental Engineering, University of California, Riverside, California 92521, United States
  2. Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118, United States
+ Show Author Affiliations

Not provided.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1981908
Journal Information:
Journal of Physical Chemistry. C, Vol. 125, Issue 39; ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (43)

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2 August 2011
The Rise of MXenes July 2019
MXenes: Two-Dimensional Building Blocks for Future Materials and Devices April 2021
Juggling Surface Charges of 2D Niobium Carbide MXenes for a Reactive Oxygen Species Scavenging and Effective Targeting of the Malignant Melanoma Cell Cycle into Programmed Cell Death May 2020
Massively manufactured paper-based all-solid-state flexible micro-supercapacitors with sprayable MXene conductive inks March 2019
Scalable, and low-cost treating-cutting-coating manufacture platform for MXene-based on-chip micro-supercapacitors March 2020
High-voltage asymmetric MXene-based on-chip micro-supercapacitors August 2020
Tailoring Ti3CNT MXene via an acid molecular scissor July 2021
Solving Gravimetric-Volumetric Capacitive Paradox of 2D Materials through Dual-Functional Chemical Bonding-Induced Self-Constructing Graphene-MXene Monoliths January 2021
Possibility of bare and functionalized niobium carbide MXenes for electrode materials of supercapacitors and field emitters September 2017
Covalent surface modifications and superconductivity of two-dimensional metal carbide MXenes July 2020
Probing the Mechanism of High Capacitance in 2D Titanium Carbide Using In Situ X-Ray Absorption Spectroscopy May 2015
Unraveling the Charge Storage Mechanism of Ti 3 C 2 T x MXene Electrode in Acidic Electrolyte August 2020
Enhancing Lithium Adsorption and Diffusion toward Extraordinary Lithium Storage Capability of Freestanding Ti 3 C 2 T x MXene January 2019
Prediction of Mobility, Enhanced Storage Capacity, and Volume Change during Sodiation on Interlayer-Expanded Functionalized Ti 3 C 2 MXene Anode Materials for Sodium-Ion Batteries January 2016
Effect of Postetch Annealing Gas Composition on the Structural and Electrochemical Properties of Ti 2 CT x MXene Electrodes for Supercapacitor Applications July 2015
Electronic properties and applications of MXenes: a theoretical review January 2017
Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution February 2016
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties March 2021
Atomic Defects in Monolayer Titanium Carbide (Ti 3 C 2 T x ) MXene September 2016
Understanding the MXene Pseudocapacitance February 2018
Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage December 2018
Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities May 2019
Modeling Surface Charge Regulation of Colloidal Particles in Aqueous Solutions September 2020
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways February 2014
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model February 2015
Pseudopotentials for high-throughput DFT calculations January 2014
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry March 2017
Shells of charge: a density functional theory for charged hard spheres April 2016
Boosting the Performance of Ionic-Liquid-Based Supercapacitors with Polar Additives October 2016
Density-functional theory of spherical electric double layers and ΞΆ potentials of colloidal particles in restricted-primitive-model electrolyte solutions April 2004
Density Functional Theory for Planar Electric Double Layers:  Closing the Gap between Simple and Polyelectrolytes April 2006
New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries October 2013
2D titanium and vanadium carbide MXene heterostructures for electrochemical energy storage October 2021
Pseudocapacitive Storage in Nanolayered Ti 2 NT x MXene Using Mg-Ion Electrolyte April 2019
Electrocatalytic and Optoelectronic Characteristics of the Two-Dimensional Titanium Nitride Ti 4 N 3 T x MXene March 2019
Two-Dimensional Titanium Nitride (Ti 2 N) MXene: Synthesis, Characterization, and Potential Application as Surface-Enhanced Raman Scattering Substrate September 2017
Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides December 2012
Preparation of an intercalation compound of layered titanic acid H2Ti4O9 with methylene blue July 1992
Thermochemistry of Vanadium(5+) in Aqueous Solutions November 1995
Comparisons of pKa and log P values of some carboxylic and phosphonic acids: Synthesis and measurement June 2001
Energy storage: pseudocapacitance in prospect January 2019
Local Atomic Structure and Conduction Mechanism of Nanocrystalline Hydrous RuO 2 from X-ray Scattering December 2002

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