DataVXThe Journal of Physical Chemistry CPaper
journal article·2014-08-28Open access

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

Petra Ágota Szilágyi, Ingrid Weinrauch, Hyunchul Oh, Michael Hirscher, Jana Juan-Alcañiz, Pablo Serra-Crespo, Moreno de Respinis, Bartek Jacek Trześniewski, Freek Kapteijn, Hans Geerlings, Jorge Gascon, Bernard Dam, Anna Grzech, Roel van de Krol, Hans Geerlings

The Journal of Physical Chemistry C· Volume 118· Issue 34
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Source abstract

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 −NH 2 functional group introduces new hydrogen adsorption sites. In addition, a subsequent introduction of −Br and −NH 2 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.
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Research context

OpenAlex topics: Metal-Organic Frameworks: Synthesis and Applications · Crystallography and molecular interactions · Magnetism in coordination complexes

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Imaging and Applied Physics, Curtin University, GPO Box U 1987, Perth, Western Australia 6845, Australia

Max-Planck-Institut für Metallforschung, Heisenbergstrasse 3, D-70569 Stuttgart, Germany

Department of Chemical Engineering, Delft University of Technology, Julianalaan 136, 2628 BL Delft, The Netherlands

Civil Engineering and Geosciences, Delft University of Technology, Stevinweg 1, 2628 CN Delft, The Netherlands

Helmholtz-Zentrum Berlin für Materialien und Energie, Institute for Solar Fuels, Hahn-Meitner-Platz 1, 14109 Berlin, Germany

Shell Technology Centre, Grasweg 31, 1031 HW Amsterdam, The Netherlands

Funding

Agentschap NL

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