Quantum-chemistry calculation of BnNn-rings (n = 1_6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60)
Year: 2000
Type: article
Abstract: Electronic structure of the boron nitride rings and fullerene-like BN-molecules (the fulborenes) are calculated using MNDO, AM1, Extended Huckel, INDO and ab initio (STO-3G) methods.The fulborene B 60 N 60 is confirmed as the boron nitride analogue of buckminsterfullerene C 60 .Comparisons with other calculations are presented and possible applications as nanoporous materials and photonic crystals are discussed.
Author: Dmitry M. Sheichenko
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W3000486378