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Atomic defects in monolayer titanium carbide (Ti3C2Tx) MXene

Journal Article · · ACS Nano
Here, the 2D transition metal carbides or nitrides, or MXenes, are emerging as a group of materials showing great promise in lithium ion batteries and supercapacitors. Until now, characterization and properties of single-layer MXenes have been scarcely reported. Here, using scanning transmission electron microscopy, we determined the atomic structure of freestanding monolayer Ti3C2Tx flakes prepared via the minimally intensive layer delamination method and characterized different point defects that are prevalent in the monolayer flakes. We determine that the Ti vacancy concentration can be controlled by the etchant concentration during preparation. Density function theory-based calculations confirm the defect structures and predict that the defects can influence the surface morphology and termination groups, but do not strongly influence the metallic conductivity. Using devices fabricated from single- and few-layer Ti3C2Tx MXene flakes, the effect of the number of layers in the flake on conductivity has been demonstrated.
Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1334485
Journal Information:
ACS Nano, Journal Name: ACS Nano Journal Issue: 10 Vol. 10; ISSN 1936-0851
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English

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Self-assembled Ti 3 C 2 MXene and N-rich porous carbon hybrids as superior anodes for high-performance potassium-ion batteries journal January 2020
Ambient oxidation of Ti 3 C 2 MXene initialized by atomic defects journal January 2019
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Unraveling the multiscale damping properties of two-dimensional layered MXene journal June 2019
Realization of 2D Crystalline Metal Nitrides via Selective Atomic Substitution preprint January 2019

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