Tailoring ammonia adsorption in UiO-67 via defect and metal site engineering

Abstract

NH₃ has emerged as a promising carbon-free energy carrier, yet its toxicity and environmental impact drive the need for adsorbents with tunable adsorption properties. Metal-organic frameworks (MOFs), particularly UiO-67, offer an ideal platform due to their high porosity and structural versatility. This work demonstrates two complementary strategies for tailoring NH₃ adsorption in UiO-67: defect engineering via modulator-induced linker vacancies using acids of varying acidity, and post-synthetic metalation with copper to introduce open metal sites. Defect engineering enables nearly 10-fold control over defect density, leading to tunable stepwise NH₃ adsorption isotherms, while copper functionalization enhances uptake by over 50% in the optimal sample. Structural changes were systematically characterized, allowing correlation between material structure and adsorption performance. The study establishes defect control and metal incorporation as effective and complementary approaches for designing application-specific NH₃ MOF adsorbents.

Graphical abstract

Keywords

metal-organic frameworks / ammonia adsorption / defect engineering / metal site engineering / adsorption tuning

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