Journal
CHEMICAL COMMUNICATIONS
Volume 48, Issue 85, Pages 10496-10498Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cc35711a
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Funding
- Department of Energy's Office of Energy Efficiency and Renewable Energy [DE-FC36-08GO18137, KK-1201-F0]
- Korea Research Institute of Chemical Technology (KRICT)
- National Science Foundation
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For a series of metal-organic frameworks with rht topology, we study computationally the effect of the linker length on the surface area, pore size, and pore volume, relating them with the hydrogen adsorption properties. The results provide new insights about the excess capacities and the pressures where the uptake maxima in the excess isotherms occur. We found that, of the materials studied, NU-109/L7 has the optimal pore volume for excess gravimetric hydrogen uptake.
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