Publikationen in Zusammenarbeit mit Forschern von Universidade da Coruña (27)

2023

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

    Journal of Molecular Liquids, Vol. 392

  2. Mixtures of ethylammonium nitrate and ethylene carbonate: Bulk and interfacial analysis

    Journal of Molecular Liquids, Vol. 385

2022

  1. On the physical properties of mixtures of nitrate salts and protic ionic liquids

    Journal of Molecular Liquids, Vol. 350

2020

  1. Ionic liquids nanoconfined in zeolite-templated carbon: A computational study

    Journal of Molecular Liquids, Vol. 318

2018

  1. The effect of alkyl chain length on the structure and thermodynamics of protic-aprotic ionic liquid mixtures: A molecular dynamics study

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 15, pp. 9938-9949

2017

  1. Molecular dynamics simulation of the structure and interfacial free energy barriers of mixtures of ionic liquids and divalent salts near a graphene wall

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 1, pp. 846-853

  2. Nanostructured solvation in mixtures of protic ionic liquids and long-chained alcohols

    Journal of Chemical Physics, Vol. 146, Núm. 12

  3. Two-dimensional pattern formation in ionic liquids confined between graphene walls

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 36, pp. 24505-24512

2016

  1. Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid-water mixtures

    Journal of Physics Condensed Matter, Vol. 28, Núm. 46

  2. Molecular dynamics simulations of mixtures of protic and aprotic ionic liquids

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 34, pp. 23932-23943

  3. Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid-graphene electrode interfaces

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 2, pp. 1302-1310

2015

  1. How does lithium nitrate dissolve in a protic ionic liquid?

    Journal of Molecular Liquids, Vol. 205, pp. 16-21

  2. Nanostructure of mixtures of protic ionic liquids and lithium salts: effect of alkyl chain length

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 7, pp. 5298-5307

  3. Solvation of molecular cosolvents and inorganic salts in ionic liquids: A review of molecular dynamics simulations

    Journal of Molecular Liquids, Vol. 210, pp. 178-188

2014

  1. Mixtures of protic ionic liquids and molecular cosolvents: A molecular dynamics simulation

    Journal of Chemical Physics, Vol. 140, Núm. 21

  2. Molecular dynamics simulations of the structure of the graphene-ionic liquid/alkali salt mixtures interface

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 26, pp. 13271-13278

  3. Physical properties of aqueous mixtures of the ionic 1-ethl-3-methyl imidazolium octyl sulfate: A new ionic rigid gel

    Journal of Chemical Thermodynamics, Vol. 75, pp. 52-57

  4. Properties and Green Aspects of Ionic Liquids

    Ionic Liquids in Separation Technology (Elsevier Ltd), pp. 1-93

  5. Solvation of lithium salts in protic ionic liquids: A molecular dynamics study

    Journal of Physical Chemistry B, Vol. 118, Núm. 3, pp. 761-770

2013

  1. MD simulations of the formation of stable clusters in mixtures of alkaline salts and imidazolium-based ionic liquids

    Journal of Physical Chemistry B, Vol. 117, Núm. 11, pp. 3207-3220