Publicaciones en colaboración con investigadores/as de Eindhoven University of Technology (60)

2024

  1. A simulation study of linker vacancy distribution and its effect on UiO-66 stability

    Microporous and Mesoporous Materials, Vol. 366

  2. Adapted thermodynamical model for the prediction of adsorption in nanoporous materials

    Chemical Engineering Journal, Vol. 496

  3. Computing solubility and thermodynamic properties of H2O2 in water

    Journal of Molecular Liquids, Vol. 401

  4. Equivariant Parameter Sharing for Porous Crystalline Materials

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

  5. Halogen-Decorated Metal-Organic Frameworks for Efficient and Selective CO2 Capture, Separation, and Chemical Fixation with Epoxides under Mild Conditions

    ACS Applied Materials and Interfaces

  6. Hydrogen recovery from steam methane reforming using the ITQ-12 zeolite

    Separation and Purification Technology, Vol. 350

  7. Improving the Water Resistance of Bi-Based Perovskite-Inspired Materials for Vapor-Phase Photocatalytic Overall Water Splitting

    Solar RRL

  8. Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations

    Journal of Physical Chemistry C, Vol. 128, Núm. 9, pp. 4111-4118

  9. The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation

    Separation and Purification Technology, Vol. 339

  10. Understanding the role of open metal sites in MOFs for the efficient separation of benzene/cyclohexane mixtures

    Separation and Purification Technology, Vol. 348

2023

  1. Adsorption of Carbon Dioxide in Non-Löwenstein Zeolites

    Chemistry of Materials, Vol. 35, Núm. 13, pp. 5222-5231

  2. Alcohol-based adsorption heat pumps using hydrophobic metal-organic frameworks

    Journal of Materials Chemistry A, Vol. 12, Núm. 6, pp. 3434-3448

  3. Ammonia and water in zeolites: Effect of aluminum distribution on the heat of adsorption

    Separation and Purification Technology, Vol. 306

  4. An Efficient Strategy for Electroreduction Reactor Outlet Fractioning into Valuable Products

    Industrial and Engineering Chemistry Research, Vol. 62, Núm. 22, pp. 8847-8863

  5. Effect of Zeolitic Imidazolate Framework Topology on the Purification of Hydrogen from Coke Oven Gas

    ACS Sustainable Chemistry and Engineering, Vol. 11, Núm. 21, pp. 8020-8034

  6. Enhancement of formic acid production from carbon dioxide hydrogenation using metal-organic frameworks: Monte Carlo simulation study

    Chemical Engineering Journal, Vol. 467

  7. Evaluation of ZIF-8 flexible force fields for structural and mechanical properties

    Microporous and Mesoporous Materials, Vol. 348

  8. How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields

    Chemical Communications, Vol. 59, Núm. 31, pp. 4660-4663

  9. Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

    Molecular Physics

  10. On the Use of Water and Methanol with Zeolites for Heat Transfer

    ACS Sustainable Chemistry and Engineering, Vol. 11, Núm. 11, pp. 4317-4328