A high rotational barrier for physisorbed hydrogen in an fcu-metal-organic framework
AuthorsPham, Tony T.
Forrest, Katherine A.
Georgiev, Peter A L
KAUST DepartmentAdvanced Membranes and Porous Materials Research Center
Chemical Science Program
Functional Materials Design, Discovery and Development (FMD3)
Physical Science and Engineering (PSE) Division
Permanent link to this recordhttp://hdl.handle.net/10754/563252
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AbstractA combined inelastic neutron scattering (INS) and theoretical study of H2 sorption in Y-FTZB, a recently reported metal-organic framework (MOF) with fcu topology, reveals that the strongest binding site in the MOF causes a high barrier to rotation on the sorbed H2. This rotational barrier for H2 is the highest yet of reported MOF materials based on physisorption. This journal is
SponsorsB.S. acknowledges the National Science Foundation (Award No. CHE-1152362), the computational resources that were made available by a XSEDE Grant (No. TG-DMR090028), and the use of the services provided by Research Computing at the University of South Florida. This work is based in part on experiments performed on the TOFTOF instrument operated by FRM-II at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany. P.A.G. acknowledges support from the Project "Beyond Everest'' under EU programme REGPOT-2011-1. This research project was also supported by the European Commission under the 7th Framework Programme through the 'Research Infrastructures' action of the 'Capacities' Programme, NMI3-II Grant No. 283883. The synthesis of the MOF studied herein and the attendant inelastic neutron scattering (INS) studies were supported by King Abdullah University of Science and Technology (KAUST).
PublisherRoyal Society of Chemistry (RSC)