Materials Map

Discover the materials research landscape. Find experts, partners, networks.

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The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

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Materials Map under construction

The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

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in Cooperation with on an Cooperation-Score of 37%

Topics

Publications (4/4 displayed)

  • 2022Molecular-Dynamics Modeling of Nafion Membranescitations
  • 2020Multiscale Modeling Examples2citations
  • 2020Multiscale Modeling Examples:New Polyelectrolyte Nanocomposite Membranes for Perspective Fuel Cells and Flow Batteries2citations
  • 2018Molecular dynamics simulations of substrate hydrophilicity and confinement effects in capped nafion films35citations

Places of action

Chart of shared publication
Venkatnathan, Arun
3 / 3 shared
Lyulin, Alexey V.
4 / 49 shared
Pant, Rakesh
3 / 3 shared
Komarov, Pavel V.
2 / 2 shared
Kritikos, Georgios
2 / 2 shared
Karatasos, Konstantinos
2 / 3 shared
Chart of publication period
2022
2020
2018

Co-Authors (by relevance)

  • Venkatnathan, Arun
  • Lyulin, Alexey V.
  • Pant, Rakesh
  • Komarov, Pavel V.
  • Kritikos, Georgios
  • Karatasos, Konstantinos
OrganizationsLocationPeople

article

Molecular-Dynamics Modeling of Nafion Membranes

  • Venkatnathan, Arun
  • Lyulin, Alexey V.
  • Pant, Rakesh
  • Sengupta, Soumyadipta
Abstract

<p>The Nafion is a commonly used polyelectrolyte membrane (PEM) in fuel cells and flow batteries. Nanocomposites of Nafion are used to enhance temperature resistance and proton conductivity. The molecular-dynamics simulation results are reported for Nafion films of different thicknesses confined between two potential walls of variable wettability, mimicking the nanofiller surfaces. The water cluster sizes show an increase with film thickness for the high wettability cases, in agreement with SAXS experiments. The in-plane water diffusion is considerably enhanced for the high wettability walls. The first results on the annealing effects on both structure, dynamics, and electric conductivity of the membranes are also reported. The hydrophilic channels evolution upon annealing will be discussed.</p>

Topics
  • nanocomposite
  • impedance spectroscopy
  • surface
  • cluster
  • experiment
  • simulation
  • annealing
  • small angle x-ray scattering