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Title: Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces

Abstract

MXenes are a recently discovered class of 2D materials with an excellent potential for energy storage applications. Because MXene surfaces are hydrophilic and attractive interaction forces between the layers are relatively weak, water molecules can spontaneously intercalate at ambient humidity and significantly influence the key properties of this 2D material. Using complementary X-ray and neutron scattering techniques, we demonstrate that intercalation with potassium cations significantly improves structural homogeneity and water stability in MXenes. Furthermore, in agreement with molecular dynamics simulations, intercalated potassium ions reduce the water self-diffusion coefficient by 2 orders of magnitude, suggesting greater stability of hydrated MXene against changing environmental conditions.

Authors:
 [1];  [1];  [2];  [1];  [3];  [1];  [1];  [3];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Pennsylvania State Univ., University Park, PA (United States)
  3. Drexel Univ., Philadelphia, PA (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1261340
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
ACS Applied Materials and Interfaces
Additional Journal Information:
Journal Volume: 8; Journal Issue: 14; Journal ID: ISSN 1944-8244
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; intercalation; MXenes; quasi-elastic neutron scattering; ReaxFF simulation; water diffusion

Citation Formats

Osti, Naresh C., Naguib, Michael, Ostadhossein, Alireza, Kent, Paul R. C., Dyatkin, Boris, Rother, Gernot, Heller, William T., Adri C. T. van Duin, Gogotsi, Yury, Mamontov, Eugene, and Xie, Yu. Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces. United States: N. p., 2016. Web. doi:10.1021/acsami.6b01490.
Osti, Naresh C., Naguib, Michael, Ostadhossein, Alireza, Kent, Paul R. C., Dyatkin, Boris, Rother, Gernot, Heller, William T., Adri C. T. van Duin, Gogotsi, Yury, Mamontov, Eugene, & Xie, Yu. Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces. United States. https://doi.org/10.1021/acsami.6b01490
Osti, Naresh C., Naguib, Michael, Ostadhossein, Alireza, Kent, Paul R. C., Dyatkin, Boris, Rother, Gernot, Heller, William T., Adri C. T. van Duin, Gogotsi, Yury, Mamontov, Eugene, and Xie, Yu. 2016. "Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces". United States. https://doi.org/10.1021/acsami.6b01490. https://www.osti.gov/servlets/purl/1261340.
@article{osti_1261340,
title = {Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces},
author = {Osti, Naresh C. and Naguib, Michael and Ostadhossein, Alireza and Kent, Paul R. C. and Dyatkin, Boris and Rother, Gernot and Heller, William T. and Adri C. T. van Duin and Gogotsi, Yury and Mamontov, Eugene and Xie, Yu},
abstractNote = {MXenes are a recently discovered class of 2D materials with an excellent potential for energy storage applications. Because MXene surfaces are hydrophilic and attractive interaction forces between the layers are relatively weak, water molecules can spontaneously intercalate at ambient humidity and significantly influence the key properties of this 2D material. Using complementary X-ray and neutron scattering techniques, we demonstrate that intercalation with potassium cations significantly improves structural homogeneity and water stability in MXenes. Furthermore, in agreement with molecular dynamics simulations, intercalated potassium ions reduce the water self-diffusion coefficient by 2 orders of magnitude, suggesting greater stability of hydrated MXene against changing environmental conditions.},
doi = {10.1021/acsami.6b01490},
url = {https://www.osti.gov/biblio/1261340}, journal = {ACS Applied Materials and Interfaces},
issn = {1944-8244},
number = 14,
volume = 8,
place = {United States},
year = {Thu Mar 24 00:00:00 EDT 2016},
month = {Thu Mar 24 00:00:00 EDT 2016}
}

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Cited by: 186 works
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Works referenced in this record:

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Works referencing / citing this record:

2D metal carbides and nitrides (MXenes) for energy storage
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Pressure-induced shear and interlayer expansion in Ti 3 C 2 MXene in the presence of water
journal, January 2018


Assembling 2D MXenes into Highly Stable Pseudocapacitive Electrodes with High Power and Energy Densities
journal, December 2018


Recent Advances in Layered Ti 3 C 2 T x MXene for Electrochemical Energy Storage
journal, February 2018


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


In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides
journal, June 2018


MXene: an emerging two-dimensional material for future energy conversion and storage applications
journal, January 2017


Cation Molecular Structure Affects Mobility and Transport of Electrolytes in Porous Carbons
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Functional MXene Materials: Progress of Their Applications
journal, August 2018


Ti 3 C 2 MXenes modified with in situ grown carbon nanotubes for enhanced electromagnetic wave absorption properties
journal, January 2017


Cobalt Oxide Materials for Oxygen Evolution Catalysis via Single-Source Precursor Chemistry
journal, August 2018


MXenes and ultrasonication
journal, January 2019


MXene‐Based Composites: Synthesis and Applications in Rechargeable Batteries and Supercapacitors
journal, February 2019


Insights into the thermal and chemical stability of multilayered V 2 CT x MXene
journal, January 2019


Promoting Role of MXene Nanosheets in Biomedical Sciences: Therapeutic and Biosensing Innovations
journal, October 2018


Topochemical synthesis of 2D materials
journal, January 2018


Functionalization of 2D materials for enhancing OER/ORR catalytic activity in Li–oxygen batteries
journal, August 2019


2 D MXene‐based Energy Storage Materials: Interfacial Structure Design and Functionalization
journal, March 2020


Oxidation-resistant titanium carbide MXene films
journal, January 2020


Recent advances in inorganic 2D materials and their applications in lithium and sodium batteries
journal, January 2017


Influence of metal ions intercalation on the vibrational dynamics of water confined between MXene layers
journal, November 2017


Mechanical response of all-MoS 2 single-layer heterostructures: a ReaxFF investigation
journal, January 2016


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