• Ionic liquid/metal salt mixtures at the graphene interface: A density functional theory approach 

      Rodríguez-Fernández, Carlos Damián; Rivera-Pousa, Alejandro; Otero-Mato, José M.; Zhour, Kazem; Montes-Campos, Hadrián; Méndez-Morales, Trinidad; Varela, Luis M. (Elsevier, 2023)
      [Abstract] The interaction of graphene sheets with metal cations is very relevant because of the modifications that are induced in the electrochemical properties of the 2D material. Ionic liquids are a promising kind of ...
    • Mixtures of Ethylammonium Nitrate and Ethylene Carbonate: Bulk and Interfacial Analysis 

      Lois-Cuns, Raúl; Otero-Lema, Martín; Rivera-Pousa, Alejandro; Vallet Moreno, Pablo; Parajó, Juan José; Cabeza, Óscar; Montes-Campos, Hadrián; Méndez-Morales, Trinidad; Varela, Luis M. (Elsevier, 2023-06-22)
      [Abstract] The structure and dynamics of binary mixtures of a protic ionic liquid (ethylammonium nitrate) and ethylene carbonate are studied by means of atomistic molecular dynamics simulations and experimental measurements ...