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ChemInform Abstract: [TM13@Bi20]‐ Clusters in Three‐Shell Icosahedral Matryoshka Structure: Being as Superatoms. |
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| Authors: | C Y Kou L Zhuang G Q Wang H Cui H K Yuan C L Tian J Z Wang H Chen |
| Abstract: | Using the DFT method the 33‐atom intermetalloid M13@Bi20]‐ clusters (M: 3d, 4d transition metals) which are composed of Bi20 pentagonal dodecahedra surrounded by M12 icosahedra with a single M atom at the center are systematically examined to explore the possibility of the clusters being superatoms. |
| Keywords: | theory of the condensed state transition metals bismuth Bi structure (solids and liquids) |