Experimental and computational studies of Si-doped fullerenes View Full Text


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Article Info

DATE

1999-12

AUTHORS

I.M.L. Billas, F. Tast, W. Branz, N. Malinowski, M. Heinebrodt, T.P. Martin, M. Boero, C. Massobrio, M. Parrinello

ABSTRACT

. Silicon in-cage doped fullerenes result from laser-induced photofragmentation of mixed clusters of composition C60Six. These parent clusters are produced in a low pressure condensation cell, through the mixing of silicon vapor with a vapor containing the preformed C60 molecules. The geometric and the electronic structures of fullerenes substitutionally doped with one and two silicon atoms are studied by ab-initio calculations within density functional theory. More... »

PAGES

337-340

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s100530050451

DOI

http://dx.doi.org/10.1007/s100530050451

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1052522310


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