Inelastic neutron scattering study of binding of para-hydrogen in an ultra-microporous metal-organic framework

Sihai Yang, Anibal J. Ramirez-Cuesta, Martin Schröder

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Abstract

Metal-organic framework (MOF) materials show promise for H2 storage and it is widely predicted by computational modelling that MOFs incorporating ultra-micropores are optimal for H2 binding due to enhanced overlapping potentials. We report the investigation using inelastic neutron scattering of the interaction of H2 in an ultra-microporous MOF material showing low H2 uptake capacity. The study has revealed that adsorbed H2 at 5 K has a liquid recoil motion along the channel with very little interaction with the MOF host, consistent with the observed low uptake. The low H2 uptake is not due to incomplete activation or decomposition as the desolvated MOF shows CO2 uptake with a measured pore volume close to that of the single crystal pore volume. This study represents a unique example of surprisingly low H2 uptake within a MOF material, and complements the wide range of studies on systems showing higher uptake capacities and binding interactions.

Original languageEnglish
Pages (from-to)111-116
Number of pages6
JournalChemical Physics
Volume428
DOIs
StatePublished - Jan 15 2014

Funding

SY gratefully acknowledges receipt of a Leverhulme Trust Early Career Research Fellowship and a Nottingham Research Fellowship, and MS receipt of an ERC Advanced Grant and EPSRC Programme Grant. We are especially grateful to the STFC ISIS Neutron Facility for access to the TOSCA Beamline. We thank the user support group at ISIS (Chris Goodway and Mark Kibble) for the technical help at TOSCA beamline.

Keywords

  • Binding interaction
  • Hydrogen adsorption
  • Inelastic neutron scattering
  • Metal organic framework
  • Neutron spectroscopy

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