Hydrogen recovery from steam methane reforming using the ITQ-12 zeolite J van Heijst, A Martin-Calvo, S Calero Separation and Purification Technology 350, 127895, 2024 | | 2024 |
Understanding the role of open metal sites in MOFs for the efficient separation of benzene/cyclohexane mixtures C González-Galán, RM Madero-Castro, A Luna-Triguero, JM Vicent-Luna, ... Separation and Purification Technology 348, 127606, 2024 | 1 | 2024 |
Adapted thermodynamical model for the prediction of adsorption in nanoporous materials F Stavarache, A Luna-Triguero, S Calero, JM Vicent-Luna Chemical Engineering Journal 496, 153480, 2024 | | 2024 |
The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production DO Wasik, JM Vicent-Luna, S Rezaie, A Luna-Triguero, TJH Vlugt, ... ACS Applied Materials & Interfaces, 2024 | | 2024 |
Temperature-Dependent Chirality in Halide Perovskites M Pols, G Brocks, S Calero, S Tao The Journal of Physical Chemistry Letters 15, 8057-8064, 2024 | | 2024 |
High Selectivity and Adsorption Capacity of Cation-Exchanged Zeolites for Biogas, Syngas, and Flue Gas Separation in a Pressure Swing Adsorption Unit D Dodoo, PJ Merkling, RM Madero-Castro, S Calero, ... ACS Applied Energy Materials, 2024 | | 2024 |
The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation DO Wasik, JM Vicent-Luna, A Luna-Triguero, D Dubbeldam, TJH Vlugt, ... Separation and Purification Technology 339, 126539, 2024 | 2 | 2024 |
Improving the water resistance of Bi‐based perovskite‐inspired materials for vapor‐phase photocatalytic overall water splitting AJ Chacón-García, HG Baldovi, M Pols, S Tao, S Calero, S Navalón, ... Solar RRL, 2024 | | 2024 |
Computing solubility and thermodynamic properties of H2O2 in water THG Saji, JM Vicent-Luna, TJH Vlugt, S Calero, B Bagheri Journal of Molecular Liquids 401, 124530, 2024 | 1 | 2024 |
Halogen-Decorated Metal–Organic Frameworks for Efficient and Selective CO2 Capture, Separation, and Chemical Fixation with Epoxides under Mild Conditions A Karmakar, AACD Santos, N Pagliaricci, J Pires, M Batista, ECBA Alegria, ... ACS Applied Materials & Interfaces 16 (16), 20626-20641, 2024 | 2 | 2024 |
Zeolite Adsorption Property Prediction using Deep Learning M Petković, JM Vicent-Luna, V Menkovski, S Calero arXiv preprint arXiv:2403.12659, 2024 | | 2024 |
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations M Pols, ACT van Duin, S Calero, S Tao The Journal of Physical Chemistry C 128 (9), 4111-4118, 2024 | | 2024 |
A simulation study of linker vacancy distribution and its effect on UiO-66 stability E Acuna-Yeomans, JJ Gutiérrez-Sevillano, D Dubbeldam, S Calero Microporous and Mesoporous Materials 366, 112922, 2024 | 3 | 2024 |
Effect of water loading on the stability of pristine and defected UiO-66 E Acuna-Yeomans, PJ Goosen, JJ Gutiérrez-Sevillano, D Dubbeldam, ... Journal of Materials Chemistry A, 2024 | | 2024 |
Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields M Pols, V Brouwers, S Calero, S Tao Chemical Communications 60 (20), 2816-2816, 2024 | | 2024 |
Alcohol-based adsorption heat pumps using hydrophobic metal–organic frameworks RM Madero-Castro, A Luna-Triguero, C González-Galán, JM Vicent-Luna, ... Journal of Materials Chemistry A 12 (6), 3434-3448, 2024 | 2 | 2024 |
Ruptura: An Open Source Code for the Simulations of Breakthrough Curves, Mixture Adsorption Isotherms and Fitting of Pure Component Adsorption Isotherms. S Sharma, SRG Balestra, R Baur, U Agarwal, E Zuidema, MS Rigutto, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities S Sharma, MS Rigutto, R Baur, U Agarwal, E Zuidema, SRG Balestra, ... Molecular Physics 121 (19-20), e2183721, 2023 | 2 | 2023 |
How Bromine Stabilizes CsPbI: Atomistic Insights from Reactive Molecular Dynamics Simulations M Pols, ACT van Duin, S Calero, S Tao arXiv preprint arXiv:2309.09588, 2023 | | 2023 |
TAMOF-1 as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures JL Núñez-Rico, J Cabezas-Giménez, V Lillo, SRG Balestra, ... ACS Applied Materials & Interfaces 15 (33), 39594-39605, 2023 | 2 | 2023 |