Argitalpenak (639)

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2026

  1. Confinement-driven equilibrium shifts in steam methane reforming: a monte carlo study in zeolites

    Materials Advances

  2. Coupling Solvation Thermodynamics and Chemical Speciation: A Simulation-Based Approach to NOx Uptake in Aqueous Environments

    Journal of chemical theory and computation, Vol. 22, Núm. 1, pp. 528-539

  3. Defect location dictates water adsorption enthalpy in CAU-10-H MOFs: A first-principles perspective

    Microporous and Mesoporous Materials, Vol. 404

  4. Exploring the Role of Transition Metal Doping in Enhancing Hydrogen Storage Performance of Carbon Nanoribbon

    International Journal of Hydrogen Energy, Vol. 222

  5. Hydrogen-bonding ability induces structural flexibility in a zeolitic-imidazolate framework (ZIF-71)

    Journal of Materials Chemistry A, Vol. 14, Núm. 9, pp. 5157-5168

  6. Insights into the Controlled Formation of Zr-Based Metal–Organic Gels: Linking Macroscopic Properties with Molecular Information from Solution State NMR

    Angewandte Chemie - International Edition, Vol. 65, Núm. 9

  7. Mechanochemical Fullerene Nanoencapsulation in Amino-Functionalized ZIF-12 for Visible-Light Disinfection of Waterborne Viruses and Bacteria

    Small

  8. Sample-efficient active learning for materials informatics using integrated posterior variance

    Computational Materials Science, Vol. 267

  9. Transition metal docking in MOF-303 for enhanced Atmospheric Water Harvesting: A multiscale simulation approach

    Microporous and Mesoporous Materials, Vol. 401

  10. Tuning the Photoelectrochemical Properties of Ti/W-Modified PCN-222 Using Charge–Selective Interfaces

    ACS Applied Materials and Interfaces, Vol. 18, Núm. 6, pp. 9877-9891

  11. Unexpected phase selectivity in germanosilicate zeolite synthesis: discovery and structure of HPM-18, a novel stable d4r-containing structure

    Journal of Materials Chemistry A, Vol. 14, Núm. 12, pp. 6867-6875

2025

  1. A hypervalent metal MOF catalyst as an avenue to go beyond heterogeneous Fenton-like processes for organic contaminant removal in water

    Materials Advances, Vol. 6, Núm. 11, pp. 3612-3621

  2. A novel application of inverse gas chromatography for estimating contact angles in porous media

    Journal of Colloid and Interface Science, Vol. 680, pp. 98-106

  3. An overloaded pure silica zeolite ISV synthesized using a phosphonium cation

    Dalton Transactions, Vol. 54, Núm. 9, pp. 3887-3896

  4. Anion-rich solvation structures in high entropy aqueous electrolytes for supercapacitors with enlarged potential windows and superior rate capabilities

    Journal of Materials Chemistry A, Vol. 13, Núm. 37, pp. 31421-31434

  5. Capturing local compositional fluctuations in NMR modelling of solid solutions

    Chemical Science

  6. Chiral Phonons in 2D Halide Perovskites

    Nano Letters, Vol. 25, Núm. 25, pp. 10003-10009

  7. Conventional porous materials as model platforms for smart gas detection: A theoretical evaluation guide

    Journal of Environmental Chemical Engineering, Vol. 13, Núm. 6

  8. Cu or Fe-Exchanged Natural Clinoptilolite as Sustainable Light-Assisted Catalyst for Water Disinfection at Near Neutral pH

    ChemPlusChem, Vol. 90, Núm. 11

  9. Detecting nucleation of water in superhydrophobic PTFE powders using Inverse Gas Chromatography

    Colloids and Interface Science Communications, Vol. 67