• Treffer 1 von 3
Zurück zur Trefferliste

Conformation-controlled hydrogen storage in the CAU-1 metal-organic framework

  • We have studied the mechanism of hydrogen storage in the aluminium based metal–organic framework CAU-1 or [Al4(OH)2 OCH3)4(O2C-C6H3NH2-CO2)3] using a complementary multidisciplinary approach of volumetric gas sorption analysis, in situ neutron diffraction and spectroscopy and ab initio calculations. The structure of CAU-1 forms two different types of microporous cages: (i) an octahedral cage with a diameter of about 10 Å and (ii) a tetrahedral cage with a diameter of about 5 Å. Though all metal sites of CAU-1 are fully coordinated, the material exhibits relatively high storage capacities, reaching 4 wt% at a temperature of 70 K. Our results reveal that hydrogen sorption is dominantly driven by cooperative guest–guest interactions and interactions between guest hydrogen molecules and organic linkers. The adsorption of hydrogen on the organic linkers leads to the contraction of the host framework structure and as a result to changes in the electronic potential surface inside the pores.We have studied the mechanism of hydrogen storage in the aluminium based metal–organic framework CAU-1 or [Al4(OH)2 OCH3)4(O2C-C6H3NH2-CO2)3] using a complementary multidisciplinary approach of volumetric gas sorption analysis, in situ neutron diffraction and spectroscopy and ab initio calculations. The structure of CAU-1 forms two different types of microporous cages: (i) an octahedral cage with a diameter of about 10 Å and (ii) a tetrahedral cage with a diameter of about 5 Å. Though all metal sites of CAU-1 are fully coordinated, the material exhibits relatively high storage capacities, reaching 4 wt% at a temperature of 70 K. Our results reveal that hydrogen sorption is dominantly driven by cooperative guest–guest interactions and interactions between guest hydrogen molecules and organic linkers. The adsorption of hydrogen on the organic linkers leads to the contraction of the host framework structure and as a result to changes in the electronic potential surface inside the pores. This, in turn, leads to cooperative rearrangement of the molecules inside the pores and to the formation of additionally occupied positions, increasing hydrogen uptake. At the final stage we observe the formation of solid amorphous hydrogen inside the pores.zeige mehrzeige weniger

Volltext Dateien herunterladen

  • CAU-1_PCCP2016.pdf
    eng

Metadaten exportieren

Weitere Dienste

Teilen auf Twitter Suche bei Google Scholar Anzahl der Zugriffe auf dieses Dokument
Metadaten
Autor*innen:Moritz-Caspar Schlegel, D. Többens, R. Svetogorov, M. Krüger, N. Stock, H. Reinsch, D. Wallacher, R. Stewart, M. Russina
Dokumenttyp:Zeitschriftenartikel
Veröffentlichungsform:Verlagsliteratur
Sprache:Englisch
Titel des übergeordneten Werkes (Englisch):Physical Chemistry Chemical Physics
Jahr der Erstveröffentlichung:2016
Herausgeber (Institution):Royal Society of Chemistry
Verlag:The Royal Soc. of Chemistry
Verlagsort:Cambridge
Jahrgang/Band:18
Erste Seite:29258
Letzte Seite:29267
DDC-Klassifikation:Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Angewandte Physik
Freie Schlagwörter:Hydrogen storage; MOF; Neutron diffraction; Neutron scattering; X-ray diffraction
DOI:10.1039/c6cp05310f
ISSN:1463-9076
ISSN:1463-9084
Verfügbarkeit des Dokuments:Datei im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:27.10.2016
Referierte Publikation:Ja
Datum der Eintragung als referierte Publikation:01.12.2016
Einverstanden
Diese Webseite verwendet technisch erforderliche Session-Cookies. Durch die weitere Nutzung der Webseite stimmen Sie diesem zu. Unsere Datenschutzerklärung finden Sie hier.