2007/12/07 by В. С. Гурин, Valerij Gurin, Gurin, Valerij
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Fullerene Chemistry and Applications #Graphene research and applications #Other Condensed Matter (cond-mat.other) #cond-mat.other
paper · pdf · doi:10.48550/arxiv.0712.1088
7 pages, 2 figures
arxiv created 2007/12/07 · openalex publication_date 2007/12/07 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.