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Type: Artigo de periódico
Title: Stability of small carbon-nitride heterofullerenes
Author: Schultz, D
Droppa, R
Alvarez, F
dos Santos, MC
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 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.
Country: EUA
Editor: American Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevLett.90.015501
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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