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

Atomic defects in monolayer titanium carbide (Ti₃C₂T_x) MXene

Journal Article · Tue Sep 06 00:00:00 UTC 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.

View Accepted Manuscript (DOE)

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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Recent developments in emerging two-dimensional materials and their applications Khan, Karim; Tareen, Ayesha Khan; Aslam, Muhammad Journal of Materials Chemistry C, Vol. 8, Issue 2 https://doi.org/10.1039/c9tc04187g	journal	January 2020
High electrical conductivity of individual epitaxially grown MoO ₂ nanorods Xie, Qiliang; Zheng, Xiaoming; Wu, Di Applied Physics Letters, Vol. 111, Issue 9 https://doi.org/10.1063/1.5001183	journal	August 2017
Layered ternary M _{n +1} AX _n phases and their 2D derivative MXene: an overview from a thin-film perspective Eklund, Per; Rosen, Johanna; Persson, Per O. Å Journal of Physics D: Applied Physics, Vol. 50, Issue 11 https://doi.org/10.1088/1361-6463/aa57bc	journal	February 2017
Superior structural, elastic and electronic properties of 2D titanium nitride MXenes over carbide MXenes: a comprehensive first principles study Zhang, Ning; Hong, Yu; Yazdanparast, Sanaz 2D Materials, Vol. 5, Issue 4 https://doi.org/10.1088/2053-1583/aacfb3	journal	July 2018
Influence of metal ions intercalation on the vibrational dynamics of water confined between MXene layers Osti, Naresh C.; Naguib, Michael; Ganeshan, Karthik Physical Review Materials, Vol. 1, Issue 6 https://doi.org/10.1103/physrevmaterials.1.065406	journal	November 2017
Elastic properties of 2D Ti ₃ C ₂ T _x MXene monolayers and bilayers Lipatov, Alexey; Lu, Haidong; Alhabeb, Mohamed Science Advances, Vol. 4, Issue 6 https://doi.org/10.1126/sciadv.aat0491	journal	June 2018
Realization of 2D crystalline metal nitrides via selective atomic substitution Cao, Jun; Li, Tianshu; Gao, Hongze Science Advances, Vol. 6, Issue 2 https://doi.org/10.1126/sciadv.aax8784	journal	January 2020
Review—Two-Dimensional Titanium Carbide MXenes and Their Emerging Applications as Electrochemical Sensors Yu, Tian; Breslin, Carmel B. Journal of The Electrochemical Society, Vol. 167, Issue 3 https://doi.org/10.1149/2.0142003jes	journal	January 2020
Review— Recent Exploration of Two-Dimensional MXenes for Gas Sensing: From a Theoretical to an Experimental View Lee, Eunji; Kim, Dong-Joo Journal of The Electrochemical Society, Vol. 167, Issue 3 https://doi.org/10.1149/2.0152003jes	journal	January 2020
Single-atom dynamics in scanning transmission electron microscopy Mishra, Rohan; Ishikawa, Ryo; Lupini, Andrew R. MRS Bulletin, Vol. 42, Issue 09 https://doi.org/10.1557/mrs.2017.187	journal	September 2017
Unraveling the multiscale damping properties of two-dimensional layered MXene Loganathan, Archana; Nautiyal, Pranjal; Boesl, Benjamin Nanomaterials and Energy, Vol. 8, Issue 1 https://doi.org/10.1680/jnaen.18.00022	journal	June 2019
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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Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
MXene
conductivity
defect
minimally intensive layer delamination (MILD)
vacancy