Hydrogen Storage in Boron Nitride and Carbon Nanomaterials
Boron nitride (BN) nanomaterials were synthesized from LaB<sub>6</sub> 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<sub>24</sub>N<sub>24</sub> 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<sub>2</sub> molecule easier than carbon fullerene materials, and its stability for high temperature would be good. Molecular dynamics calculations showed that a H<sub>2</sub> molecule remains stable in a C<sub>60</sub> cage at 298 K and 0.1 MPa, and that pressures over 5 MPa are needed to store H<sub>2</sub> molecules in the C<sub>60</sub> cage.
Year of publication: |
2014
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Authors: | Oku, Takeo |
Published in: |
Energies. - MDPI, Open Access Journal, ISSN 1996-1073. - Vol. 8.2014, 1, p. 319-337
|
Publisher: |
MDPI, Open Access Journal |
Subject: | nanostructure | boron nitride | carbon | hydrogen gas storage | hydrogenation | molecular orbital calculation |
Saved in:
freely available
Extent: | application/pdf text/html |
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Type of publication: | Article |
Classification: | Q - Agricultural and Natural Resource Economics ; Q0 - Agricultural and Natural Resource Economics. General ; Q4 - Energy ; Q40 - Energy. General ; Q41 - Demand and Supply ; Q42 - Alternative Energy Sources ; Q43 - Energy and the Macroeconomy ; q47 ; Q48 - Government Policy ; Q49 - Energy. Other |
Source: |
Persistent link: https://www.econbiz.de/10011106133
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