» Articles » PMID: 25116653

Water Adsorption in UiO-66: the Importance of Defects

Overview
Specialty Chemistry
Date 2014 Aug 14
PMID 25116653
Citations 32
Authors
Affiliations
Soon will be listed here.
Abstract

Simulated adsorption isotherms for water in UiO-66 illustrate that defects in the form of missing linkers make this MOF more hydrophilic. Heats of adsorption and density plots further confirm the effect of defects on adsorption of water in UiO-66 at low loadings. In addition, water and CO2 isotherms indicate that not only the amount of defects but their locations within the material affect the loading of guest molecules.

Citing Articles

Ab Initio Predictions of Adsorption in Flexible Metal-Organic Frameworks for Water Harvesting Applications.

Goeminne R, Van Speybroeck V J Am Chem Soc. 2025; 147(4):3615-3630.

PMID: 39818949 PMC: 11783526. DOI: 10.1021/jacs.4c15287.


Trace Adsorptive Removal of PFAS from Water by Optimizing the UiO-66 MOF Interface.

Ilic N, Tan K, Mayr F, Hou S, Aumeier B, Morales E Adv Mater. 2024; 37(6):e2413120.

PMID: 39573850 PMC: 11817902. DOI: 10.1002/adma.202413120.


Cerium-Organic Framework UiO-66(Ce) as a Support for Nanoparticulate Gold for Use in Oxidation Catalysis.

Zhao B, Kashtiban R, Huband S, Walker M, Walton R Chem Asian J. 2024; 19(24):e202401035.

PMID: 39254915 PMC: 11639647. DOI: 10.1002/asia.202401035.


Quantifying the Uncertainty of Force Field Selection on Adsorption Predictions in MOFs.

McCready C, Sladekova K, Conroy S, Gomes J, Fletcher A, Jorge M J Chem Theory Comput. 2024; 20(11):4869-4884.

PMID: 38818701 PMC: 11171284. DOI: 10.1021/acs.jctc.4c00287.


Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal-Organic Frameworks.

Siderius D, Hatch H, Shen V J Phys Chem B. 2024; 128(19):4830-4845.

PMID: 38676704 PMC: 11175621. DOI: 10.1021/acs.jpcb.4c00753.