Synthesis of boron-nitride nanocages and fullerenes in a BN plasma

Synthesis of boron-nitride fullerenes, nano-cocoons and nano-cages by self-organization of BN molecules in a high-temperature plasma is simulated using the DFT tight-binding method. No boron nano-cluster or catalysts nano-particle are needed to initiate this process. By varying the plasma temperature and the BN density, as well as the time of growth we can simulate growth of he sp$^{\mathrm{2}}$ cages of various shape, size and quality. Role of hydrogen in HBNH and H$_{\mathrm{2}}$BNH$_{\mathrm{2}}$ synthesis is also considered.