Water adsorption in UiO-66: the importance of defects

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.