Asymmetry of Endofullerenes with Silver Atoms

Details Asymmetry of Endofullerenes with Silver Atoms Asymmetry of Endofullerenes with Silver Atoms

2007-12-07

arxiv.org/abs/0712.1088v1

Physics

Condensed Matter

Other Condensed Matter

7 pages, 2 figures

Scientific paper

A series of endofullerenes Ag@C60 with different symmetry are calculated at
ab initio level. The lowest energy structure is completely asymmetrical one
(C1), in which the endo-atom has noticeably off-centre position. The
symmetrical structures are less stable. Silver atom in the Ag@C60 (C1)
endofullerene has the low negative charge and high spin density.

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