Publicacións (44) Publicacións de TRINIDAD MENDEZ MORALES

2024

  1. Size Matters: A Computational Study of Hydrogen Absorption in Ionic Liquids

    Journal of Chemical Information and Modeling, Vol. 64, Núm. 1, pp. 164-177

  2. Upper storage-capacity limit and multiple occupancy phenomena in H2-hydroquinone clathrates using Monte Carlo and DFT simulations

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 8, pp. 6939-6948

2023

  1. Effect of Isomeric Alcohols on the Thermophysical Properties of Cyano-Based Ionic Liquids: Experimental and Simulation Studies

    Journal of Chemical and Engineering Data, Vol. 68, Núm. 8, pp. 1940-1952

  2. Interfacial structure of protic and aprotic ionic liquid-DMSO-Li salt mixtures near charged and neutral electrodes: A Molecular Dynamics study

    Journal of Molecular Liquids, Vol. 386

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

    Journal of Molecular Liquids, Vol. 392

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

    Journal of Molecular Liquids, Vol. 385

2022

  1. Density functional theory of alkali metals at the IL/graphene electrochemical interface

    Journal of Chemical Physics, Vol. 156, Núm. 1

  2. Evaluation of hydrogen storage ability of hydroquinone clathrates using molecular simulations

    Journal of Molecular Liquids, Vol. 360

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

    Journal of Molecular Liquids, Vol. 350

  4. Quantitative and structural analysis of water association in water-lithium bromide-1,3-dimethylimidazolium chloride mixtures

    Journal of Molecular Liquids, Vol. 368

  5. Role of Anions in 5-Hydroxymethylfurfural Solvation in Ionic Liquids from Molecular Dynamics Simulations

    Advanced Theory and Simulations, Vol. 5, Núm. 12

2021

  1. Computational Screening of the Physical Properties of Water-in-Salt Electrolytes**

    Batteries and Supercaps, Vol. 4, Núm. 4, pp. 646-652

2020

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

    Journal of Molecular Liquids, Vol. 318

  2. The interaction of ammonia with the protic ionic liquid ethylammonium nitrate: A simulation study

    Journal of Molecular Liquids, Vol. 320

2019

  1. Performance of microporous carbon electrodes for supercapacitors: Comparing graphene with disordered materials

    Energy Storage Materials, Vol. 17, pp. 88-92

  2. Transport Properties of Li-TFSI Water-in-Salt Electrolytes

    Journal of Physical Chemistry B, Vol. 123, Núm. 49, pp. 10514-10521

2018

  1. Capacitive Performance of Water-in-Salt Electrolytes in Supercapacitors: A Simulation Study

    Journal of Physical Chemistry C, Vol. 122, Núm. 42, pp. 23917-23924

  2. Computer simulation studies of nanoporous carbon-based electrochemical capacitors

    Current Opinion in Electrochemistry, Vol. 9, pp. 81-86

  3. Ion-ion correlations across and between electrified graphene layers

    Journal of Chemical Physics, Vol. 148, Núm. 19

  4. 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