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Electronic structure, structural constituent units, and growth mechanism of fullerenes

机译:电子结构,结构组分单位和富勒烯的生长机制

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We have analyzed the electronic and geometrical structures of fullerenes up to C_90. For all the extractable fullerenes, it has been revealed that the lower three unoccupied states tend to bunch together, and that pentagons can be grouped into 6 paired units. In addition, the presence of both favored (even-number atom chains) and disfavored constituent units (odd-number atom chains and a C_6 ring) has been observed. Based on this analysis, we discuss the growth mechanism of C_60 and other fullerenes as well as the speciality of C84.
机译:我们已经分析了富勒烯的电子和几何结构,高达C_90。 对于所有可萃取的富勒烯,已经揭示了下行三个未占用的状态倾向于聚集在一起,并且该五盏可以分组成6个配对单元。 另外,已经观察到有利于(偶数原子链)和残疾的成分单元(奇数原子链和C_6环)的存在。 基于该分析,我们讨论了C_60和其他富勒烯的生长机制以及C84的专业。

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