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Title: Direct Observation of Hydrogen Adsorption Sites and Nanocage Formation in Metal-Organic Frameworks

Journal Article · · Physical Review Letters
;  [1]
  1. NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)

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, H{sub 2} molecules form unique interlinked high-symmetry nanoclusters with intermolecular distances as small as 3.0 A ring and H{sub 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.

OSTI ID:
20699589
Journal Information:
Physical Review Letters, Vol. 95, Issue 21; Other Information: DOI: 10.1103/PhysRevLett.95.215504; (c) 2005 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0031-9007
Country of Publication:
United States
Language:
English