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Title: Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage

Journal Article · · Journal of Physical Chemistry. C

Not provided.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231
OSTI ID:
1558549
Alternate ID(s):
OSTI ID: 1543664
Journal Information:
Journal of Physical Chemistry. C, Vol. 123, Issue 1; ISSN 1932-7447
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 52 works
Citation information provided by
Web of Science

References (43)

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Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2 journal August 2011
Flexible MXene/Carbon Nanotube Composite Paper with High Volumetric Capacitance journal November 2014
Flexible and conductive MXene films and nanocomposites with high capacitance journal November 2014
New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries journal October 2013
MXene: a promising transition metal carbide anode for lithium-ion batteries journal March 2012
Ti 3 C 2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries journal June 2014
Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution journal August 2016
Interacting Carbon Nitride and Titanium Carbide Nanosheets for High-Performance Oxygen Evolution journal December 2015
Monolayer Ti 2 CO 2 : A Promising Candidate for NH 3 Sensor or Capturer with High Sensitivity and Selectivity journal June 2015
CO 2 and temperature dual responsive “Smart” MXene phases journal January 2015
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide journal September 2013
Ultra-high-rate pseudocapacitive energy storage in two-dimensional transition metal carbides journal July 2017
Probing the Mechanism of High Capacitance in 2D Titanium Carbide Using In Situ X-Ray Absorption Spectroscopy journal May 2015
Pseudocapacitance of MXene nanosheets for high-power sodium-ion hybrid capacitors journal April 2015
Conductive two-dimensional titanium carbide ‘clay’ with high volumetric capacitance journal November 2014
Intercalation and delamination of layered carbides and carbonitrides journal April 2013
Amine-Assisted Delamination of Nb 2 C MXene for Li-Ion Energy Storage Devices journal April 2015
Large-scale delamination of multi-layers transition metal carbides and carbonitrides “MXenes” journal January 2015
Highly Dispersed RuO 2 Nanoparticles on Carbon Nanotubes: Facile Synthesis and Enhanced Supercapacitance Performance journal January 2010
Facile synthesis of ultra-small ruthenium oxide nanoparticles anchored on reduced graphene oxide nanosheets for high-performance supercapacitors journal January 2015
Influence of the mesoporous structure on capacitance of the RuO2 electrode journal April 2009
Pulse polymerized polypyrrole electrodes for high energy density electrochemical supercapacitor journal February 2008
Pseudocapacitance and performance stability of quinone-coated carbon onions journal September 2013
High-Capacitance Mechanism for Ti 3 C 2 T x MXene by in Situ Electrochemical Raman Spectroscopy Investigation journal November 2016
Synthesis and Characterization of 2D Molybdenum Carbide (MXene) journal February 2016
Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes) journal August 2015
Understanding the MXene Pseudocapacitance journal February 2018
Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides journal December 2012
Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes journal December 2016
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution journal October 2006
Synthesis of two-dimensional titanium nitride Ti 4 N 3 (MXene) journal January 2016
Two-Dimensional Titanium Nitride (Ti 2 N) MXene: Synthesis, Characterization, and Potential Application as Surface-Enhanced Raman Scattering Substrate journal September 2017
Suitable Conditions for the Use of Vanadium Nitride as an Electrode for Electrochemical Capacitor journal January 2016
Salt-Templated Synthesis of 2D Metallic MoN and Other Nitrides journal February 2017
Nitrogen-doped Ti 3 C 2 T x MXene electrodes for high-performance supercapacitors journal August 2017
Two-Dimensional MXenes as Catalysts for Electrochemical Hydrogen Evolution: A Computational Screening Study journal June 2017
Two-dimensional vanadium carbide (V2C) MXene as electrode for supercapacitors with aqueous electrolytes journal November 2018
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Generalized Gradient Approximation Made Simple journal October 1996
Pseudopotentials for high-throughput DFT calculations journal January 2014
JDFTx: Software for joint density-functional theory journal January 2017
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model journal February 2015

Cited By (4)

Origin of theoretical pseudocapacitance of two-dimensional supercapacitor electrodes Ti 3 C 2 T 2 (T = bare, O, S) journal January 2019
III–VI van der Waals heterostructures for sustainable energy related applications journal January 2019
Interfacial and electronic properties of heterostructures of MXene and graphene journal February 2019
A first-principles roadmap and limits to design efficient supercapacitor electrode materials journal January 2019

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