XU Bing-she, ZHANG Zhu-xia, LIU Guang-huan, LIU Xu-guang. Structural characteristics of endohedral metalofullerenes ranging from C66 to C84. New Carbon Mater., 2009, 24(04): 289-300. doi: 10.1016/S1872-5805(08)60052-9
Citation:
XU Bing-she, ZHANG Zhu-xia, LIU Guang-huan, LIU Xu-guang. Structural characteristics of endohedral metalofullerenes ranging from C66 to C84. New Carbon Mater., 2009, 24(04): 289-300. doi: 10.1016/S1872-5805(08)60052-9
XU Bing-she, ZHANG Zhu-xia, LIU Guang-huan, LIU Xu-guang. Structural characteristics of endohedral metalofullerenes ranging from C66 to C84. New Carbon Mater., 2009, 24(04): 289-300. doi: 10.1016/S1872-5805(08)60052-9
Citation:
XU Bing-she, ZHANG Zhu-xia, LIU Guang-huan, LIU Xu-guang. Structural characteristics of endohedral metalofullerenes ranging from C66 to C84. New Carbon Mater., 2009, 24(04): 289-300. doi: 10.1016/S1872-5805(08)60052-9
Key Laboratory of Interface Science and Engineering in Advanced Materials (Taiyuan University of Technology)|
2.
Ministry of Education, Taiyuan 030024, China|
3.
College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, China|
Funds:
National Nature Science Foundation of China (20971094, 50874079), the Natural Science Foundation of Shanxi Province (2009021026), Program for New Century Excellent Talent in University (NCET20620262), International S & T-Operation Program (2007D FA50940), and International Cooperation Program of Shanxi Province (2007081029, 2009081046)
As the size of the fullerene cage increases, the possibility for the existence of multiple isomers also increases. Most fullerenes and endohedral fullerenes obey the isolated pentagon rule (IPR), which requires that each of the twelve pentagons in the carbon cage be surrounded by hexagons. Non-IPR structures have already been isolated for cages containing 66，68, 70, 72, 74，78 or 84 carbon atoms. The structural characteristics of the endohedral metallofullerenes, which consist of carbon cages from C66 to C84 and encaged species including one, two, three atoms, metal nitrides(M3N) or metal carbides(M2C2) are illustrated.
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