Terumi Furuta

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Metal-organic frameworks (MOFs) are promising materials for applications such as separation, catalysis, and gas storage. A key indicator of their structural stability is the shear modulus. By density functional theory calculations in a 106-atom supercell, under the local density approximation, we find c(11)=29.2 GPa and c(12)=13.1 GPa for Zn-based MOF 5.(More)
Carbon nanotubes have been proposed as promising hydrogen storage materials for the automotive industry. By theoretical analyses and total-energy density functional theory calculations, we show that contribution from physisorption in nanotubes, though significant at liquid nitrogen temperature, should be negligible at room temperature; contribution from(More)
We attempted synthesis of the hydrogen adsorption material suitable for the fuel cell vehicles (FCEVs). The designed and synthesized Cu2(3,5-Pyridinedicarboxylate)2 (=Cu2PDC2) metal complex showed an extremely high volumetric uptake density for a physisorption material, even though the specific surface area was only about 1,000 m g. Factors for high uptake(More)
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