Publications by the researcher in collaboration with LUIS JAVIER GALLEGO DEL HOYO (38)

2021

  1. Tuning the hybrid borophene−/graphene-ionic liquid interface: Effect of metal cations on the electronic and photonic properties

    Journal of Molecular Liquids, Vol. 321

2020

  1. Electronic and optical properties of borophene and graphene with an adsorbed ionic liquid: A density functional theory study

    Journal of Molecular Liquids, Vol. 316

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

    Journal of Molecular Liquids, Vol. 318

  3. Nanoconfined ionic liquids: A computational study

    Journal of Molecular Liquids, Vol. 320

2019

  1. Molecular dynamics simulations of novel electrolytes based on mixtures of protic and aprotic ionic liquids at the electrochemical interface: Structure and capacitance of the electric double layer

    Electrochimica Acta, Vol. 305, pp. 223-231

  2. Solvation in ionic liquid-water mixtures: A computational study

    Journal of Molecular Liquids, Vol. 292

2018

  1. 3D structure of the electric double layer of ionic liquid-alcohol mixtures at the electrochemical interface

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 48, pp. 30412-30427

  2. Density Functional Study of Charge Transfer at the Graphene/Ionic Liquid Interface

    Journal of Physical Chemistry C, Vol. 122, Núm. 27, pp. 15070-15077

  3. GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 2, pp. 466-478

  4. Molecular dynamics simulations of the structure of mixtures of protic ionic liquids and monovalent and divalent salts at the electrochemical interface

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 18, pp. 12767-12776

  5. Solvation of Al3+ cations in bulk and confined protic ionic liquids: A computational study

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 28, pp. 19071-19081

  6. 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 analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts

    Journal of Chemical Physics, Vol. 145, Núm. 20

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

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

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

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

  4. 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

  5. Structural and electronic properties of zigzag InP nanoribbons with Stone-Wales type defects

    Journal of Physics Condensed Matter, Vol. 28, Núm. 6