Heteroatomic cages B N with borons and nitrogens fully replacing alternant sets Nr2 N r2 of carbons in cages are built graph-theoretically and investigated via the semiempirical MNDO Hamiltonian. The comparison with their parent carbon cages C is made in N terms both of electronic and of geometric c
Theoretical study on structure of boron nitride fullerenes
β Scribed by Won Ha Moon; Myung Sik Son; Ho Jung Hwang
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 474 KB
- Volume
- 253
- Category
- Article
- ISSN
- 0169-4332
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Amongst the other physical properties, the structure of fullerene solids, and the structural transformations with temperature, pressure and doping have all evoked considerable interest and during the la~st two years tremendous progress has been made in this area. This paper provides a brief review o
## Abstract Using the density functional theory, we investigated the possible formation of fullereneβdizincocene hybrids, specifically C~60~\*βZnβZnβCp\*, C~60~\*βZnβZnβC~60~\*, C~70~\*βZnβZnβCp\*, and C~70~\*βZnβZnβC~70~\*, where C~60~\*, Cp\*, and C~70~\* represent C~60~(CH~3~)~5~, C~5~(CH~3~)~5~
Processible polymers have been prepared from borazinic derivatives. They were thermolyzed into boron nitride using an appropriate chemical and thermal treatment in order to obtain a carbon-free ceramic. Despite similar pyrolysis conditions, the crystallinity of the resulting BN was found to be di4er