Exceptionally High Perfluorooctanoic Acid Uptake in Water by a Zirconium-Based Metal–Organic Framework through Synergistic Chemical and Physical Adsorption

Perfluorooctanoic acid (PFOA) is an environmental contaminant ubiquitous in water resources, which as a xenobiotic and carcinogenic agent, severely endangers human health. The development of techniques for its efficient removal is therefore highly sought after. Herein, we demonstrate an unprecedented zirconium-based MOF (PCN-999) possessing Zr6 and biformate-bridged (Zr6)2 clusters simultaneously, which exhibits an exceptional PFOA uptake of 1089 mg/g (2.63 mmol/g), representing a ca. 50% increase over the previous record for MOFs. Single-crystal X-ray diffraction studies and computational analysis revealed that the (Zr6)2 clusters offer additional open coordination sites for hosting PFOA. The coordinated…

• UD
  U.S. Department of Energy

  Awards: S000655-DOE, DE-FE0032108
• WF
  Welch Foundation

  Award: A-0030
• AN
  Agence Nationale de la Recherche

  Awards: ANR-10-IDEX-, ANR-10-IDEX-0002, ANR-10-IDEX, ANR-10
• IU
  Institut Universitaire de France
• OO
  Office of Fossil Energy

  Awards: S000655, DE-FE0032108, S000655-DOE
• HM
  H2020 Marie Skłodowska-Curie Actions

  Award: GA-101103395