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Title: Atomic defects in monolayer titanium carbide (Ti 3C 2T x) MXene

Abstract

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 Ti 3C 2T 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 Ti 3C 2T x MXene flakes, the effect of the number of layers in the flake on conductivity has been demonstrated.

Authors:
 [1];  [1];  [1];  [2];  [2];  [2];  [1];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Drexel Univ., Philadelphia, PA (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1334485
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
ACS Nano
Additional Journal Information:
Journal Volume: 10; Journal Issue: 10; Journal ID: ISSN 1936-0851
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; conductivity; defect; minimally intensive layer delamination (MILD); MXene; vacancy

Citation Formats

Sang, Xiahan, Xie, Yu, Lin, Ming -Wei, Alhabeb, Mohamed, Van Aken, Katherine L., Gogotsi, Yury G., Kent, Paul R. C., Xiao, Kai, and Unocic, Raymond R. Atomic defects in monolayer titanium carbide (Ti3C2Tx) MXene. United States: N. p., 2016. Web. doi:10.1021/acsnano.6b05240.
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. Atomic defects in monolayer titanium carbide (Ti3C2Tx) MXene. United States. doi:10.1021/acsnano.6b05240.
Sang, Xiahan, Xie, Yu, Lin, Ming -Wei, Alhabeb, Mohamed, Van Aken, Katherine L., Gogotsi, Yury G., Kent, Paul R. C., Xiao, Kai, and Unocic, Raymond R. Tue . "Atomic defects in monolayer titanium carbide (Ti3C2Tx) MXene". United States. doi:10.1021/acsnano.6b05240. https://www.osti.gov/servlets/purl/1334485.
@article{osti_1334485,
title = {Atomic defects in monolayer titanium carbide (Ti3C2Tx) MXene},
author = {Sang, Xiahan and Xie, Yu and Lin, Ming -Wei and Alhabeb, Mohamed and Van Aken, Katherine L. and Gogotsi, Yury G. and Kent, Paul R. C. and Xiao, Kai and Unocic, Raymond R.},
abstractNote = {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.},
doi = {10.1021/acsnano.6b05240},
journal = {ACS Nano},
number = 10,
volume = 10,
place = {United States},
year = {Tue Sep 06 00:00:00 EDT 2016},
month = {Tue Sep 06 00:00:00 EDT 2016}
}

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Cited by: 23 works
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