Atomic defects in monolayer titanium carbide (Ti3C2Tx) MXene

Sang, Xiahan; Xie, Yu; Lin, Ming -Wei; Alhabeb, Mohamed; Van Aken, Katherine L.; Gogotsi, Yury G.; Kent, Paul R. C.; Xiao, Kai; Unocic, Raymond R.

doi:10.1021/acsnano.6b05240

Title: Atomic defects in monolayer titanium carbide (Ti₃C₂T_x) MXene

Journal Article · Tue Sep 06 00:00:00 EDT 2016 · ACS Nano

DOI:https://doi.org/10.1021/acsnano.6b05240· OSTI ID:1334485

Sang, Xiahan ^[1]; Xie, Yu ^[1]; Lin, Ming -Wei ^[1]; Alhabeb, Mohamed ^[2]; Van Aken, Katherine L. ^[2]; Gogotsi, Yury G. ^[2]; Kent, Paul R. C. ^[1]; Xiao, Kai ^[1]; Unocic, Raymond R. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Drexel Univ., Philadelphia, PA (United States)

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 Ti₃C₂T_x 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 Ti₃C₂T_x MXene flakes, the effect of the number of layers in the flake on conductivity has been demonstrated.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1334485

Journal Information:: ACS Nano, Vol. 10, Issue 10; ISSN 1936-0851

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 535 works

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Realization of 2D Crystalline Metal Nitrides via Selective Atomic Substitution Cao, Jun; Li, Tianshu; Gao, Hongze arXiv https://doi.org/10.48550/arxiv.1910.01695	preprint	January 2019

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36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
conductivity
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MXene
vacancy

Title: Atomic defects in monolayer titanium carbide (Ti3C2Tx) MXene

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Title: Atomic defects in monolayer titanium carbide (Ti₃C₂T_x) MXene