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A comparative study on the oxidation of two-dimensional Ti3C2MXene structures in different environments

Journal Article · · Journal of Materials Chemistry. A
DOI:https://doi.org/10.1039/C8TA01468J· OSTI ID:1470659
 [1];  [2];  [1];  [2];  [1]
  1. Department of Mechanical and Nuclear Engineering; The Penn State University; University Park; USA
  2. Materials Science and Technology Division; Oak Ridge National Laboratory; Oak Ridge; USA

The effect of different environments on the oxidation of Ti3C2MXene structures is investigated using ReaxFF molecular dynamics simulations and experimental techniques.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
Sponsoring Organization:
USDOE SC Office of Basic Energy Sciences (SC-22)
OSTI ID:
1470659
Journal Information:
Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 26 Vol. 6; ISSN JMCAET; ISSN 2050-7488
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

References (78)

Double transition metal MXene (TixTa4−xC3) 2D materials as anodes for Li-ion batteries journal January 2021
Two-Dimensional Material Nanophotonics text January 2014
Sulfur Cathodes Based on Conductive MXene Nanosheets for High-Performance Lithium-Sulfur Batteries journal February 2015
Electronegativity-equalization method for the calculation of atomic charges in molecules journal July 1986
High capacitance of surface-modified 2D titanium carbide in acidic electrolyte journal November 2014
A Reactive Force Field Study on the Interaction of Lubricant with Diamond-Like Carbon Structures journal November 2016
H 2 O 2 assisted room temperature oxidation of Ti 2 C MXene for Li-ion battery anodes journal January 2016
Interpretation of Raman spectra of disordered and amorphous carbon journal May 2000
One-step synthesis of nanocrystalline transition metal oxides on thin sheets of disordered graphitic carbon by oxidation of MXenes journal January 2014
A new insight into regulating high energy facets of rutile TiO2 journal January 2013
Concerning the structural mechanism of oxygen inclusion into the lattice of titanium carbide journal January 1978
On the Topotactic Transformation of Ti2AlC into a Ti-C-O-F Cubic Phase by Heating in Molten Lithium Fluoride in Air journal October 2011
Photoelectrocatalytic materials for environmental applications journal January 2009
A review on the key issues for lithium-ion battery management in electric vehicles journal March 2013
Raman Spectrum of Graphite journal August 1970
Combinatorial molecular optimization of cement hydrates journal September 2014
Synthesis of Two-Dimensional Materials by Selective Extraction journal December 2014
Flexible and conductive MXene films and nanocomposites with high capacitance journal November 2014
Electrochemical Photolysis of Water at a Semiconductor Electrode journal July 1972
TiO2 nanoparticle modified organ-like Ti3C2 MXene nanocomposite encapsulating hemoglobin for a mediator-free biosensor with excellent performances journal December 2015
Two-Step Oxidation of Mxene in the Synthesis of Layer-Stacked Anatase Titania with Enhanced Lithium-Storage Performance journal April 2016
The advancements in sol–gel method of doped-TiO2 photocatalysts journal February 2010
ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials journal January 2015
Two-Dimensional Transition Metal Carbides journal January 2012
The ReaxFF reactive force-field: development, applications and future directions journal March 2016
Photoelectrochemical cells journal November 2001
eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations journal July 2016
Photodetectors based on graphene, other two-dimensional materials and hybrid systems journal October 2014
New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries journal October 2013
Molecular dynamics with coupling to an external bath journal October 1984
ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation journal February 2008
The MN+1AXN phases: A new class of solids: Thermodynamically stable nanolaminates journal January 2000
Challenges in the development of advanced Li-ion batteries: a review journal January 2011
Two-dimensional flexible nanoelectronics journal December 2014
A Non-Aqueous Asymmetric Cell with a Ti 2 C-Based Two-Dimensional Negative Electrode journal January 2012
25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials journal December 2013
MXene: a promising transition metal carbide anode for lithium-ion batteries journal March 2012
Sulfur Cathodes Based on Conductive MXene Nanosheets for High-Performance Lithium-Sulfur Batteries journal February 2015
Photoelectrochemical Cells journal February 1980
Issues and challenges facing rechargeable lithium batteries book October 2010
Large Impact of Particle Size on Insertion Reactions. A Case for Anatase Li x TiO 2 journal April 2007
Ion-Exchange and Cation Solvation Reactions in Ti 3 C 2 MXene journal May 2016
Liquid Exfoliation of Layered Materials journal June 2013
Aqueous proton transfer across single-layer graphene journal March 2015
Review on Undoped/Doped TiO 2 Nanomaterial; Synthesis and Photocatalytic and Antimicrobial Activity : Review on Undoped/Doped TiO journal December 2016
Lattice Parameter and Stoichiometry of TiC x Produced in the Ti-C and Ni-Ti-C Systems by Self-Propagating High-Temperature Synthesis journal August 2008
In situ environmental transmission electron microscopy study of oxidation of two-dimensional Ti 3 C 2 and formation of carbon-supported TiO 2 journal January 2014
Flexible MXene/Carbon Nanotube Composite Paper with High Volumetric Capacitance journal November 2014
Concerning the structural mechanism of oxygen inclusion into the lattice of titanium carbide journal November 1977
Amine-Assisted Delamination of Nb 2 C MXene for Li-Ion Energy Storage Devices journal April 2015
Two-Dimensional Material Nanophotonics text January 2018
Mechanisms of Oriented Attachment of TiO 2 Nanocrystals in Vacuum and Humid Environments: Reactive Molecular Dynamics journal March 2014
Particle size dependence of the lithium storage capability and high rate performance of nanocrystalline anatase TiO2 electrode journal March 2007
Preparation of titanium dioxide photocatalyst loaded onto activated carbon support using chemical vapor deposition: A review paper journal September 2008
Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces journal March 2016
ReaxFF Reactive Force Field Simulations on the Influence of Teflon on Electrolyte Decomposition during Li/SWCNT Anode Discharge in Lithium-Sulfur Batteries journal January 2014
Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2 journal August 2011
ReaxFF:  A Reactive Force Field for Hydrocarbons journal October 2001
2D metal carbides and nitrides (MXenes) for energy storage journal January 2017
Dynamics of Confined Reactive Water in Smectite Clay–Zeolite Composites journal February 2012
Two-Dimensional Titanium Carbide for Efficiently Reductive Removal of Highly Toxic Chromium(VI) from Water journal January 2015
Conductive two-dimensional titanium carbide ‘clay’ with high volumetric capacitance journal November 2014
Two-Dimensional Colloidal Nanocrystals journal July 2016
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide journal September 2013
A review and recent developments in photocatalytic water-splitting using TiO2 for hydrogen production journal April 2007
The Topotactic Transformation of Ti3SiC2 into a Partially Ordered Cubic Ti  (  C 0.67Si0.06 )  Phase by the Diffusion of Si into Molten Cryolite journal January 1999
The surface science of titanium dioxide journal January 2003
The design and development of highly reactive titanium oxide photocatalysts operating under visible light irradiation journal May 2003
Carbon-supported ultra-thin anatase TiO2 nanosheets for fast reversible lithium storage journal January 2011
One-step synthesis of nanocrystalline transition metal oxides on thin sheets of disordered graphitic carbon by oxidation of MXenes other January 2014
Two-dimensional material nanophotonics journal November 2014
Layered titanate nanostructures and their derivatives as negative electrode materials for lithium-ion batteries journal January 2013
Electronics based on two-dimensional materials journal October 2014
Carbonaceous nanomaterials for the enhancement of TiO2 photocatalysis journal March 2011
Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene journal March 2013
Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water journal September 2017
Issues and challenges facing rechargeable lithium batteries journal November 2001
Covalently interconnected transition metal dichalcogenide networks via defect engineering for high-performance electronic devices. text January 2021

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On tuning the cytotoxicity of Ti 3 C 2 (MXene) flakes to cancerous and benign cells by post-delamination surface modifications journal February 2020
Thermal stability of two-dimensional titanium carbides Tin+1Cn (MXenes) from classical molecular dynamics simulations journal January 2019
The engineering and immobilization of penicillin G acylase onto thermo-sensitive tri-block copolymer system journal September 2018
Synthesis and photocatalytic H 2 ‐production activity of plasma‐treated Ti 3 C 2 T x MXene modified graphitic carbon nitride journal September 2019
Applications of 2D MXenes in energy conversion and storage systems journal January 2019
Multilayered stable 2D nano-sheets of Ti2NTx MXene: synthesis, characterization, and anticancer activity journal November 2019
Oxidation-resistant titanium carbide MXene films journal January 2020
Edge Capping of 2D‐MXene Sheets with Polyanionic Salts To Mitigate Oxidation in Aqueous Colloidal Suspensions journal September 2019
pH-Response of polycation/Ti 3 C 2 T x MXene layer-by-layer assemblies for use as resistive sensors journal January 2020
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