Artículos de revistas
Stability of small carbon-nitride heterofullerenes
Registro en:
Physical Review Letters. American Physical Soc, v. 90, n. 1, 2003.
0031-9007
WOS:000180318300029
10.1103/PhysRevLett.90.015501
Autor
Schultz, D
Droppa, R
Alvarez, F
dos Santos, MC
Institución
Resumen
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 Cn-xNx(40less than or equal tonless than or equal to50). 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 Cn-xNx cages are quite stable, with heats of formation per atom approaching that of C-60. These molecules could be the seeds of onionlike structures seen in CN materials. 90 1