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Stabilizing A 22 Karat Nanogolden Cage, Q. Wang, Q. Sun, P. Jena

Physics Publications

Since the discovery of C60 fullerene, considerable efforts have been devoted to find other elements with similar hollow cage structures. However, search for hollow metallic cages with a diameter similar to that of C60 fullerene has been elusive. We describe a procedure for the rational design of metallic cages by suitably choosing their size, composition, and charge state. A 22 karat nanogolden cage with a diameter of about 8.5 Å and consisting of 12 Al and 20 Au atoms is found to be metastable, which can be stabilized by embedding a Mn4 cluster. In contrast to bulk Mn, which is …