Hydrogen Storage in Boron Nitride and Carbon Nanomaterials

Takeo Oku
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Takeo Oku: Department of Materials Science, The University of Shiga Prefecture, Hassaka 2500, Hikone, Shiga 522-8533, Japan

Energies, 2014, vol. 8, issue 1, 1-19

Abstract: Boron nitride (BN) nanomaterials were synthesized from LaB 6 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 B 24 N 24 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 H 2 molecule easier than carbon fullerene materials, and its stability for high temperature would be good. Molecular dynamics calculations showed that a H 2 molecule remains stable in a C 60 cage at 298 K and 0.1 MPa, and that pressures over 5 MPa are needed to store H 2 molecules in the C 60 cage.

Keywords: nanostructure; boron nitride; carbon; hydrogen gas storage; hydrogenation; molecular orbital calculation (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2014
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