Hydrogen Storage in Boron Nitride and Carbon Nanomaterials

Energies

Takeo Oku¹ 

[1] Department of Materials Science, The University of Shiga Prefecture, Hassaka 2500, Hikone, Shiga 522-8533, Japan; E-Mail

关键词: nanostructure;    boron nitride;    carbon;    hydrogen gas storage;    hydrogenation;    molecular orbital calculation;   

DOI  :  10.3390/en8010319

来源: mdpi

【 摘 要 】

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.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland.