skip to main content


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

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.
 [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:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
ACS Applied Materials and Interfaces
Additional Journal Information:
Journal Volume: 8; Journal Issue: 14; Journal ID: ISSN 1944-8244
American Chemical Society
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
36 MATERIALS SCIENCE; intercalation; MXenes; quasi-elastic neutron scattering; ReaxFF simulation; water diffusion
OSTI Identifier: