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期刊论文

Coordination-number defects and ring formulation of fullerenelike clusters produced by C60-C60 collision

夏曰源Yueyuan Xia Yuguang Mu Yuelin Xing Chunyu Tan and Liangmo Mei

PHYSICAL REVIEW B VOLUME 56, NUMBER 8,-0001,():

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摘要/描述

Defect structures of fullerenes and fullerenelike clusters produced by two C60 molecules colliding at different impact parameters and different collision directions in the energy range 50-600eV have been studied using a molecular-dynamics simulation method. The electronic structures around the defects are obtained using a self-consistent-field Hartree-Fock scheme. The results show that the numbers of coordination-number defects obey a magic rule, and the numbers of rings forming the closed cage structure of the fullerene or fullerenelike products can be well described by a modified formula deduced from Euler's theorem. The electronic structures around the defects are substantially changed in comparison with those of the carbon atoms on normal fullerene cages.

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【免责声明】以下全部内容由[夏曰源]上传于[2005年02月23日 22时19分11秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。

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