Stability of small carbon-nitride heterofullerenes.

Abstract

Carbon nitride nanostructures have been produced by the arc-discharge technique and analyzed by mass spectrometry. A series of structured peaks in the region of masses from 480 up to 600 suggests the existence of heterofullerenes C(n-x)Nx(40 < or = n < or = 50). The structure and stability of these small fullerenes were theoretically investigated by quantum chemical calculations. The obtained heats of formation indicate that C(n) molecules stabilize upon nitrogen substitution. Two C(n-x)Nx cages are quite stable, with heats of formation per atom approaching that of C60. These molecules could be the seeds of onion-like structures seen in CN materials [Phys. Rev. Lett. 87, 225503 (2001)]].

• Authors: D Schultz, R Droppa Jr, F Alvarez, M C dos Santos
• Journal: Physical review letters (Phys Rev Lett) Vol. 90 Issue 1 Pg. 015501 (Jan 10 2003) ISSN: 0031-9007 [Print] United States
• PMID: 12570622 (Publication Type: Journal Article)