Volumetric Hydrogen Storage Capacity in Metal-Organic Frameworks

Hydrogen storage in microporous metal-organic frameworks.

Metal-organic framework-5 (MOF-5) of composition Zn4O(BDC)3 (BDC = 1,4-benzenedicarboxylate) with a cubic three-dimensional extended porous structure adsorbed hydrogen up to 4.5 weight percent (17.2 hydrogen molecules per formula unit) at 78 kelvin and 1.0 weight percent at room temperature and pressure of 20 bar. Inelastic neutron scattering spectroscopy of the rotational transitions of the ad...

Storage Capacity of Metal−Organic and Covalent−Organic Frameworks by Hydrogen Spillover

We determine the saturation storage density for hydrogen on several metal−organic framework (MOF) and covalent−organic framework (COF) materials by spillover. We use density functional theory on periodic frameworks to achieve reliable and accurate predictions for these materials. We find that one hydrogen can be stored at each C atom of the linker, and an additional H for each CO2 group. For IR...

Calculation of hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover.

We have used accurate ab initio quantum chemistry calculations together with a simple model to study the hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover. Recent experiments by Tsao et al. [J. Am. Chem. Soc. 131, 1404 (2009)] {based on an earlier work by Li and Yang [J. Am. Chem. Soc. 128, 8136 (2006)]} have found that IRMOF-8 with bridged Pt catalysts can...

Hydrogen storage in metal organic frameworks ( thesis-Jie Yang )

The current status of hydrogen storage in metal–organic frameworks†

The rapid consumption of petroleum deposits and the escalating air pollution problems caused by burning fossil fuels have driven the global research community to look for cleaner and renewable energy resources. Albeit not a primary energy source, hydrogen is an ideal energy carrier. It almost triples the gravimetric heat of combustion of gasoline (120 MJ kg 1 vs. 44.5 MJ kg ). More importantly,...