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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

21 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)19572-19579
Number of pages8
JournalJournal of Physical Chemistry C
Issue number34
StatePublished - Aug 28 2014
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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