Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66

  1. Jajko, Gabriela 1
  2. Calero, Sofía 2
  3. Kozyra, Pawel 1
  4. Makowski, Waclaw 1
  5. Slawek, Andrzej 3
  6. Gil, Barbara 1
  7. Gutiérrez-Sevillano, Juan José 4
  1. 1 Jagiellonian University in Kraków
  2. 2 Eindhoven University of Technology
    info

    Eindhoven University of Technology

    Eindhoven, Holanda

    ROR https://ror.org/02c2kyt77

  3. 3 AGH University of Science and Technology
    info

    AGH University of Science and Technology

    Cracovia, Polonia

    ROR https://ror.org/00bas1c41

  4. 4 Universidad Pablo de Olavide
    info

    Universidad Pablo de Olavide

    Sevilla, España

    ROR https://ror.org/02z749649

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Editor: Zenodo

Año de publicación: 2022

Tipo: Dataset

CC BY 4.0

DOI: 10.5281/ZENODO.7112787 lock_openAcceso abierto editor

Resumen

Simulations outputs from DFT and MC calculations on UiO-66 structures