Abstract
Boron nitride (BN) nanomaterials were synthesized from LaB6 and Pd/boron powder, and the hydrogen storage was investigated by differential thermogravimetric analysis, which showed possibility of hydrogen storage of 1–3 wt%. The hydrogen gas storage in BN and carbon (C) clusters was also investigated by molecular orbital calculations, which indicated possible hydrogen storage of 6.5 and 4.9 wt%, respectively. Chemisorption calculation was also carried out for B24N24 cluster with changing endohedral elements in BN cluster to compare the bonding energy at nitrogen and boron, which showed that Li is a suitable element for hydrogenation to the BN cluster. The BN cluster materials would store H2 molecule easier than carbon fullerene materials, and its stability for high temperature would be good. Molecular dynamics calculations showed that a H2 molecule remains stable in a C60 cage at 298 K and 0.1 MPa, and that pressures over 5 MPa are needed to store H2 molecules in the C60 cage.
Highlights
Hydrogen is a carrier with high energy density, and forms only water and heat
After separation of Boron nitride (BN) nanomaterials, hydrogen storage was measured by thermogravimetry/differential thermogravimetric analysis (TG/DTA) at temperatures in the range of 20–300 °C in H2 atmosphere [21]
It means that catalytic elements for synthesis of BN nanotubes should be selected from those with minus formation enthalpy (HforN-HforB)
Summary
Hydrogen is a carrier with high energy density, and forms only water and heat. Fossil fuels generate toxic fuels, such as COx, NOx and SOx. clean hydrogen energy is expected as substitute of fossil fuel in the 21st century, and gas storage ability more than 6.5 wt% is needed for car application according to the US Department of Energy. Fullerene-like materials, which consist of light elements, such as boron, Energies 2015, 8 carbon and nitrogen, would store more H2 gas compared to the metal hydrides. Various works have been reported on hydrogen storage ability of carbon nanotubes, fullerenes and nanomaterials [1]. It was reported that multi-walled carbon nanotubes could absorb hydrogen from 1 wt% up to 4.6 wt%
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