Publications by the researcher in collaboration with J. M. Vicent-Luna (11)

2022

  1. Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles

    Journal of Chemical Information and Modeling, Vol. 62, Núm. 24, pp. 6423-6435

2020

  1. Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites

    Journal of Materials Chemistry A, Vol. 8, Núm. 23, pp. 11824-11836

2019

  1. Looking at the "water-in-Deep-Eutectic-Solvent" System: A Dilution Range for High Performance Eutectics

    ACS Sustainable Chemistry and Engineering, Vol. 7, Núm. 21, pp. 17565-17573

2018

  1. Molecular Dynamics Analysis of Charge Transport in Ionic-Liquid Electrolytes Containing Added Salt with Mono, Di, and Trivalent Metal Cations

    ChemPhysChem, Vol. 19, Núm. 13, pp. 1665-1673

  2. Role of Ionic Liquid [EMIM]+[SCN]- in the Adsorption and Diffusion of Gases in Metal-Organic Frameworks

    ACS Applied Materials and Interfaces, Vol. 10, Núm. 35, pp. 29694-29704

2017

  1. Electrochemical Reduction of Oxygen in Aprotic Ionic Liquids Containing Metal Cations: A Case Study on the Na–O2 system

    ChemSusChem, Vol. 10, Núm. 7, pp. 1616-1623

  2. Micelle Formation in Aqueous Solutions of Room Temperature Ionic Liquids: A Molecular Dynamics Study

    Journal of Physical Chemistry B, Vol. 121, Núm. 35, pp. 8348-8358

2016

  1. Inside Cover: Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li-based Batteries: Molecular Origins of the Conductivity Behavior (ChemPhysChem 16/2016)

    ChemPhysChem

  2. Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li-based Batteries: Molecular Origins of the Conductivity Behavior

    ChemPhysChem, pp. 2473-2481

2014

  1. Ion transport in electrolytes for dye-sensitized solar cells: A combined experimental and theoretical study

    Journal of Physical Chemistry C, Vol. 118, Núm. 49, pp. 28448-28455

2013

  1. Effect of room-temperature ionic liquids on CO2 separation by a Cu-BTC metal-organic framework

    Journal of Physical Chemistry C, Vol. 117, Núm. 40, pp. 20762-20768