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  • Kritikos, Georgios; Pant, Rakesh; Sengupta, Soumyadipta; Karatasos, Kostas; VENKATNATHAN, ARUN; Lyulin, Alexey V. (American Chemical Society, 2018-10)
    In this work, we elucidated the nanostructure and dynamics of Nafion-doped graphene-oxide (GO) systems from molecular dynamics simulations at varying hydration levels and temperature. It was found that the presence of GO ...
  • PANT, RAKESH; Sengupta, Soumyadipta; Lyulin, Alexey V.; VENKATNATHAN, ARUN (Elsevier B.V., 2020-09)
    In this investigation, the structure and dynamics of N,N-diethyl-N-methylammonium triflate, ([dema][TfO]) Protic Ionic Liquid (IL) doped polybenzimidazole as a fuel cell electrolyte is explored, via molecular-dynamics ...
  • Sengupta, Soumyadipta; PANT, RAKESH; VENKATNATHAN, ARUN; Lyulin, Alexey V. (Wiley, 2022-10)
    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 ...

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