Article ID Journal Published Year Pages File Type
5387566 Chemical Physics Letters 2008 5 Pages PDF
Abstract
The plane of the encapsulated molecule Sc3N is found to be perpendicular to a C5 axis rather than C3 axis inside the C80 cage with Ih symmetry. The electronic structures of intercalated fullerenes M3N@C80 (M = Sc, Y, and lanthanides) are investigated systematically with ab initio method.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
First-principles investigation on the electronic structures of intercalated fullerenes M3N@C80 (M = Sc, Y, and lanthanides)
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