From fulleranes and icosahedral diamondoids to polyicosahedral nanowires: Structural, electronic, and mechanical characteristics

Jukka T. Tanskanen, Mikko Linnolahti*, Antti J. Karttunen, Tapani A. Pakkanen

*Tämän työn vastaava kirjoittaja

Tutkimustuotos: LehtiartikkeliArticleScientificvertaisarvioitu

Abstrakti

Structural relationships between icosahedral hydrocarbon nanostructures and their one-dimensional counterparts have been derived. The structural, electronic, and mechanical properties of fulleranes and icosahedral diamondoids, together with the predicted perhydrogenated carbon nanotubes and polyicosahedral diamond nanowires, were determined by quantum chemical calculations. Generally, the strain energies of the predicted one-dimensional hydrocarbon nanostuctures are low, being of the same magnitude with the experimentally known dodecahedrane and conventional diamond nanowires. The studied polyicosahedral diamond nanowires have Young's moduli higher than the conventional diamond nanowires, suggesting useful applications in nanomechanical design.

AlkuperäiskieliEnglanti
Sivut11122-11129
Sivumäärä8
JulkaisuJournal of Physical Chemistry C
Vuosikerta112
Numero30
DOI - pysyväislinkit
TilaJulkaistu - 31 heinäkuuta 2008
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

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