Oxalate-Bridged Frameworks with Open Metal Cation Sites for High-Capacity Hydrogen Storage

Recipient Lawrence Berkeley National Laboratory/LBNL (PI: Jeffrey Long), National Institute of Standards and Technology/NIST (co-PI: Craig Brown) and National Renewable Energy Laboratory/NREL (co-PI: Tom Gennett)

Abstract We propose to synthesize a series of anionic lanthanide-based MOFs [MLn(oxalate)2; M = alkali metal cations] and derivatives thereof, designed to immobilize alkali metal ions with multiple open coordination sites per metal in a structurally rigid environment. We anticipate that a successful synthesis allows each exposed cation to interact with three or more H2 molecules, which maximizes the volumetric H2 uptake capacity at near-ambient temperatures to reach technical storage targets. Synthesized materials will be characterized using various techniques (including in situ X-ray and neutron diffraction, high-pressure H2 adsorption, in situ IR and X-ray absorption spectroscopy, as well as temperature-programmed desorption analysis) to identify specific H2 adsorption sites in the novel adsorbent materials.