title: Direct observation of hydrogen adsorption sites and nanocage formation in metal-organic frameworks.
abstract: The hydrogen adsorption sites in MOF5 were determined using neutron powder diffraction along with first-principles calculations. The metal-oxide cluster is primarily responsible for the adsorption while the organic linker plays only a secondary role. Equally important, at low temperatures and high-concentration, molecules form unique interlinked high-symmetry nanoclusters with intermolecular distances as small as 3.0 Angstrom and H(2) uptake as high as 11 wt %. These results hold the key to optimizing metal-organic framework (MOF) materials for hydrogen storage applications and also suggest that MOFs can be used as templates to create artificial interlinked hydrogen nanocages with novel properties.
authors.affiliation: NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA.
authors.forename: T
authors.initials: T
authors.lastname: Yildirim
authors.forename: M R
authors.initials: MR
authors.lastname: Hartman