Adsorption of Volatile Organic Compounds in Functionalized UiO-66: Insights from Experiment and Simulation

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OriginalspracheEnglisch
Seiten (von - bis)10321-10328
Seitenumfang8
FachzeitschriftJournal of Physical Chemistry C
Jahrgang129
Ausgabenummer22
Frühes Online-Datum27 Mai 2025
PublikationsstatusVeröffentlicht - 5 Juni 2025

Abstract

Volatile organic compounds (VOCs) pose health risks, leading to a growing focus on adsorption-based removal and sensing methods for these compounds. Metal-organic frameworks (MOFs), known for their high porosity and tunable structures, have emerged as promising adsorbents. Among them, UiO-66 stands out due to its exceptional chemical and thermal stability and its ability to adsorb a broad range of VOCs with diverse chemical properties. While prior research has focused on defect engineering to enhance VOC adsorption in UiO-66, the potential of functionalized linkers in UiO-66 derivatives tailored for specific VOCs remains underexplored. This study examines vapor adsorption in five functionalized UiO-66 derivatives using static vapor adsorption measurements and simulation methods analyzing chemically diverse VOCs, including alkanes, aromatics, and alcohols. The results show that functionalization enhances affinity for polar VOCs at low pressure, highlighting the potential of linker functionalization for VOC capture and sensing applications, particularly in environments where VOCs concentrations are low.

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Adsorption of Volatile Organic Compounds in Functionalized UiO-66: Insights from Experiment and Simulation. / Hannebauer, Adrian; Rohloff, Erik; Schneider, Andreas M. et al.
in: Journal of Physical Chemistry C, Jahrgang 129, Nr. 22, 05.06.2025, S. 10321-10328.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Hannebauer A, Rohloff E, Schneider AM, Schaate A. Adsorption of Volatile Organic Compounds in Functionalized UiO-66: Insights from Experiment and Simulation. Journal of Physical Chemistry C. 2025 Jun 5;129(22):10321-10328. Epub 2025 Mai 27. doi: 10.1021/acs.jpcc.5c01987
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T2 - Insights from Experiment and Simulation

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AU - Rohloff, Erik

AU - Schneider, Andreas M.

AU - Schaate, Andreas

N1 - Publisher Copyright: © 2025 The Authors. Published by American Chemical Society.

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