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Title: Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water

Abstract

Understanding of structural, electrical, and gravimetric peculiarities of water vapor interaction with ion-intercalated MXenes led to design of a multimodal humidity sensor. Neutron scattering coupled to molecular dynamics and ab initio calculations showed that a small amount of hydration results in a significant increase in the spacing between MXene layers in the presence of K and Mg intercalants between the layers. Films of K- and Mg-intercalated MXenes exhibited relative humidity (RH) detection thresholds of ~0.8% RH and showed monotonic RH response in the 0–85% RH range. We found that MXene gravimetric response to water is 10 times faster than their electrical response, suggesting that H2O-induced swelling/contraction of channels between MXene sheets results in trapping of H2O molecules that act as charge-depleting dopants. Here, the results demonstrate the use of MXenes as humidity sensors and infer potential impact of water on structural and electrical performance of MXene-based devices.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2];  [2];  [3]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [1]
+ Show Author Affiliations
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Univ. of Maryland, College Park, MD (United States)
Publication Date:
Research Org.:
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); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1468281
Alternate Identifier(s):
OSTI ID: 1487453
Grant/Contract Number:  
AC05-00OR22725; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
ACS Nano
Additional Journal Information:
Journal Volume: 11; Journal Issue: 11; Journal ID: ISSN 1936-0851
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; humidity sensor; intercalation; MXene; neutron scattering; pillaring; quartz crystal microbalance

Citation Formats

Muckley, Eric S., Naguib, Michael, Wang, Hsiu -Wen, Vlcek, Lukas, Osti, Naresh C., Sacci, Robert L., Sang, Xiahan, Unocic, Raymond R., Xie, Yu, Tyagi, Madhusudan, Mamontov, Eugene, Page, Katharine L., Kent, Paul R. C., Nanda, Jagjit, and Ivanov, Ilia N. Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water. United States: N. p., 2017. Web. doi:10.1021/acsnano.7b05264.
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Muckley, Eric S., Naguib, Michael, Wang, Hsiu -Wen, Vlcek, Lukas, Osti, Naresh C., Sacci, Robert L., Sang, Xiahan, Unocic, Raymond R., Xie, Yu, Tyagi, Madhusudan, Mamontov, Eugene, Page, Katharine L., Kent, Paul R. C., Nanda, Jagjit, & Ivanov, Ilia N. Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water. United States. doi:https://doi.org/10.1021/acsnano.7b05264
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Muckley, Eric S., Naguib, Michael, Wang, Hsiu -Wen, Vlcek, Lukas, Osti, Naresh C., Sacci, Robert L., Sang, Xiahan, Unocic, Raymond R., Xie, Yu, Tyagi, Madhusudan, Mamontov, Eugene, Page, Katharine L., Kent, Paul R. C., Nanda, Jagjit, and Ivanov, Ilia N. Wed . "Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water". United States. doi:https://doi.org/10.1021/acsnano.7b05264. https://www.osti.gov/servlets/purl/1468281.
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@article{osti_1468281,
title = {Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water},
author = {Muckley, Eric S. and Naguib, Michael and Wang, Hsiu -Wen and Vlcek, Lukas and Osti, Naresh C. and Sacci, Robert L. and Sang, Xiahan and Unocic, Raymond R. and Xie, Yu and Tyagi, Madhusudan and Mamontov, Eugene and Page, Katharine L. and Kent, Paul R. C. and Nanda, Jagjit and Ivanov, Ilia N.},
abstractNote = {Understanding of structural, electrical, and gravimetric peculiarities of water vapor interaction with ion-intercalated MXenes led to design of a multimodal humidity sensor. Neutron scattering coupled to molecular dynamics and ab initio calculations showed that a small amount of hydration results in a significant increase in the spacing between MXene layers in the presence of K and Mg intercalants between the layers. Films of K- and Mg-intercalated MXenes exhibited relative humidity (RH) detection thresholds of ~0.8% RH and showed monotonic RH response in the 0–85% RH range. We found that MXene gravimetric response to water is 10 times faster than their electrical response, suggesting that H2O-induced swelling/contraction of channels between MXene sheets results in trapping of H2O molecules that act as charge-depleting dopants. Here, the results demonstrate the use of MXenes as humidity sensors and infer potential impact of water on structural and electrical performance of MXene-based devices.},
doi = {10.1021/acsnano.7b05264},
journal = {ACS Nano},
number = 11,
volume = 11,
place = {United States},
year = {2017},
month = {10}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI:  https://doi.org/10.1021/acsnano.7b05264
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Cited by: 16 works
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Figures / Tables:

Figure 1 Figure 1: (a,b) Normalized neutron intensities with respect to vanadium rod scattering for hydrated and dryMg- and K-intercalated MXenes, referenced to pristine Ti3C2Tx sample. Data for linear interpolation are shown in red, and the hydrated sample data are shown in blue. (c) Expanded view in the low-Q region of plotsmore » (a) and (b). (d) Hydrogen-corrected total scattering structure factor S(Q) for hydrated and D2O rehydrated Mg- and K-intercalated MXenes. Position of the d(002) peak is 15.2(2) and 12.8(2) Å for Mg- and K-intercalated MXene, respectively. Error bars throughout the text represent one standard deviation.« less
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Works referencing / citing this record:

Stimuli-Responsive 2D Materials Beyond Graphene
journal, August 2018

  • Zhang, Qin; Zhang, Jiaqian; Wan, Siyu
  • Advanced Functional Materials, Vol. 28, Issue 45
  • DOI: 10.1002/adfm.201802500

Pristine Titanium Carbide MXene Films with Environmentally Stable Conductivity and Superior Mechanical Strength
journal, November 2019

  • Chen, Hongwu; Wen, Yeye; Qi, Yingyi
  • Advanced Functional Materials, Vol. 30, Issue 5
  • DOI: 10.1002/adfm.201906996

Machine Learning‐Enabled Correlation and Modeling of Multimodal Response of Thin Film to Environment on Macro and Nanoscale Using “Lab‐on‐a‐Crystal”
journal, January 2020

  • Muckley, Eric S.; Collins, Liam; Srijanto, Bernadeta R.
  • Advanced Functional Materials, Vol. 30, Issue 10
  • DOI: 10.1002/adfm.201908010

White Photoluminescent Ti 3 C 2 MXene Quantum Dots with Two‐Photon Fluorescence
journal, March 2019

Control of MXenes’ electronic properties through termination and intercalation
journal, January 2019

  • Hart, James L.; Hantanasirisakul, Kanit; Lang, Andrew C.
  • Nature Communications, Vol. 10, Issue 1
  • DOI: 10.1038/s41467-018-08169-8

Multi-modal, ultrasensitive, wide-range humidity sensing with Ti 3 C 2 film
journal, January 2018

  • Muckley, Eric S.; Naguib, Michael; Ivanov, Ilia N.
  • Nanoscale, Vol. 10, Issue 46
  • DOI: 10.1039/c8nr05170d

A comparative study on the oxidation of two-dimensional Ti 3 C 2 MXene structures in different environments
journal, January 2018

  • Lotfi, Roghayyeh; Naguib, Michael; Yilmaz, Dundar E.
  • Journal of Materials Chemistry A, Vol. 6, Issue 26
  • DOI: 10.1039/c8ta01468j

Stabilization of 2D graphene, functionalized graphene, and Ti 2 CO 2 (MXene) in super-critical CO 2 : a molecular dynamics study
journal, January 2019

  • Khaledialidusti, Rasoul; Mahdavi, Ehsan; Barnoush, Afrooz
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 24
  • DOI: 10.1039/c9cp02244a

Microscopic dynamics in room-temperature ionic liquids confined in materials for supercapacitor applications
journal, January 2020

  • Osti, Naresh C.; Mamontov, Eugene
  • Sustainable Energy & Fuels, Vol. 4, Issue 4
  • DOI: 10.1039/c9se00829b

Origin of theoretical pseudocapacitance of two-dimensional supercapacitor electrodes Ti 3 C 2 T 2 (T = bare, O, S)
journal, January 2019

  • Wang, Lijing; Wang, Jin; Zhang, Zhenzhou
  • Journal of Materials Chemistry A, Vol. 7, Issue 27
  • DOI: 10.1039/c9ta03529j
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