Comparative Study of B sub(x)N sub(y)C sub(z) Nanojunctions Fragments

Theoretical analysis of formation energy and geometry was done to compare the relative stabilities of modified carbon nanostructurcs representative fragments. Structure and energies of formation were calculated at semiempirical level of theory. Depending of B-N pair localization on the molccular str...

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Veröffentlicht in:	Materials research (São Carlos, São Paulo, Brazil) São Paulo, Brazil), 2011-09, Vol.14 (3), p.281-286
Hauptverfasser:	de Souza Batista, FA, Manzanares, K D, dos Reis, M, Custodio, R, Carvalho, ACM
Format:	Artikel
Sprache:	eng ; por ; spa
Schlagworte:	Carbon Energy of formation Fragments Free energy Heat of formation Nanocomposites Nanomaterials Nanostructure
Online-Zugang:	Volltext
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