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Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101

Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101

Szilágyi, Petra Ágota, Weinrauch, Ingrid, Juan-Alcaniz, Jana, Serra-Crespo, Pablo, Grzech, Anna, Oh, Hyunchul, de Respinis, Moreno, Trzesniewski, Bartek Jacek, Kapteijn, Freek, van de Krol, Roel, Geerlings, Hans, Gascon, Jorge, Hirscher, Michael and Dam, Bernard (2014) Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101. Journal of Physical Chemistry C, 118 (34). pp. 19572-19579. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp5050628)

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Abstract

Functionalization of metal–organic frameworks results in higher hydrogen uptakes owing to stronger hydrogen–host interactions. However, it has not been studied whether a given functional group acts on existing adsorption sites (linker or metal) or introduces new ones. In this work, the effect of two types of functional groups on MIL-101 (Cr) is analyzed. Thermal-desorption spectroscopy reveals that the −Br ligand increases the secondary building unit’s hydrogen affinity, while the −NH2 functional group introduces new hydrogen adsorption sites. In addition, a subsequent introduction of −Br and −NH2 ligands on the linker results in the highest hydrogen-store interaction energy on the cationic nodes. The latter is attributed to a push-and-pull effect of the linkers.

Item Type: Article
Uncontrolled Keywords: Metal-organic framework, Post-synthetic modification, Linker exchange, Hydrogen storage
Faculty / Department / Research Group: Faculty of Engineering & Science > Department of Pharmaceutical, Chemical & Environmental Sciences
Last Modified: 17 Oct 2016 09:13
Selected for GREAT 2016: None
Selected for GREAT 2017: None
Selected for GREAT 2018: None
URI: http://gala.gre.ac.uk/id/eprint/14410

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