Experimental Evidence Supported by Simulations of a Very High H{sub 2} Diffusion in Metal Organic Framework Materials

Journal Article · Fri Jun 20 00:00:00 EDT 2008 · Physical Review Letters

DOI:https://doi.org/10.1103/PHYSREVLETT.100.245901· OSTI ID:21134056

Salles, F; Maurin, G ^[1]; Jobic, H ^[2]; Koza, M M ^[3]; Llewellyn, P L ^[4]; Devic, T; Serre, C; Ferey, G ^[5]

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1. Institut Charles Gerhardt Montpellier, UMR CNRS 5253, UM2, ENSCM, Place E. Bataillon, 34095 Montpellier cedex 05 France (France)
2. Institut de Recherches sur la Catalyse et l'Environnement de LYON, CNRS, Universite de Lyon, 2. Av. A. Einstein, 69626 Villeurbanne (France)
3. Institut Laue Langevin, BP 156, 38042 Grenoble (France)
4. Laboratoire Chimie Provence, Universites d'Aix-Marseille I, II et III - CNRS, UMR 6264, Centre de Saint Jerome, 13397 Marseille (France)
5. Institut Lavoisier, UMR CNRS 8180, Universite de Versailles Saint-Quentin-en-Yvelines, 78035 Versailles Cedex (France)

Quasielastic neutron scattering measurements are combined with molecular dynamics simulations to extract the self-diffusion coefficient of hydrogen in the metal organic frameworks MIL-47(V) and MIL-53(Cr). We find that the diffusivity of hydrogen at low loading is about 2 orders of magnitude higher than in zeolites. Such a high mobility has never been experimentally observed before in any nanoporous materials, although it was predicted in carbon nanotubes. Either 1D or 3D diffusion mechanisms are elucidated depending on the chemical features of the MIL framework.

• OSTI ID: 21134056
• Journal Information: Physical Review Letters, Vol. 100, Issue 24; Other Information: DOI: 10.1103/PhysRevLett.100.245901; (c) 2008 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS
CARBON
HYDROGEN
MOLECULAR DYNAMICS METHOD
NANOTUBES
NEUTRON REACTIONS
ORGANOMETALLIC COMPOUNDS
QUASI-ELASTIC SCATTERING
SELF-DIFFUSION
ZEOLITES