Hydrogen storage in boron nitride nanomaterials studied by TG/DTA and cluster calculation Original Research Article

BN nanotubes, nanocages and nanocapsules were synthesized from LaB6 and Pd with boron powder by using an arc melting method. Thermogravimetry/differential thermogravimetric analysis of BN nanomaterials produced from LaB6 and Pd/boron powder showed possibility of hydrogen storage of 1–3 wt%. Conditions of H2 gas storage in B36N36 cluster, which was considered as a cap structure of B99N99 nanotube, were predicted by first principle single point energy calculations. H2 molecules would be introduced from hexagonal rings of the cage structure. BN fullerene materials would store H2 molecule easier than carbon fullerene materials, and its stability for high temperature would be good.