Publikationen in Zusammenarbeit mit Forschern von Eindhoven University of Technology (74)

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. Balancing the Co-Solvent Content in High Entropy Aqueous Electrolytes to Obtain 2.2 V Symmetric Supercapacitors

    Advanced Functional Materials

  4. Computing solubility and thermodynamic properties of H2O2 in water

    Journal of Molecular Liquids, Vol. 401

  5. Effect of water loading on the stability of pristine and defective UiO-66

    Journal of Materials Chemistry A, Vol. 12, Núm. 37, pp. 25233-25243

  6. Equivariant Parameter Sharing for Porous Crystalline Materials

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

  7. Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminum-Substituted Zeolites

    ACS Applied Materials and Interfaces

  8. 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

  9. High Selectivity and Adsorption Capacity of Cation-Exchanged Zeolites for Biogas, Syngas, and Flue Gas Separation in a Pressure Swing Adsorption Unit

    ACS Applied Energy Materials, Vol. 7, Núm. 15, pp. 6488-6498

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

    Separation and Purification Technology, Vol. 350

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

    Solar RRL, Vol. 8, Núm. 14

  12. 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

  13. Molecular recognition-induced structural flexibility in ZIF-71

    Journal of Materials Chemistry A

  14. Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

    The journal of physical chemistry. B, Vol. 128, Núm. 39, pp. 9619-9629

  15. RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids

    Journal of Chemical Physics, Vol. 161, Núm. 11

  16. Temperature-Dependent Chirality in Halide Perovskites

    Journal of Physical Chemistry Letters, Vol. 15, Núm. 31, pp. 8057-8064

  17. The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production

    ACS Applied Materials and Interfaces, Vol. 16, Núm. 34, pp. 45006-45019

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

    Separation and Purification Technology, Vol. 339

  19. 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