A cycloaddition model for fullerene formation

被引:58
作者
Strout, DL
Scuseria, GE
机构
[1] RICE UNIV,DEPT CHEM,CTR NANOSCALE SCI & TECHNOL,HOUSTON,TX 77005
[2] RICE UNIV,RICE QUANTUM INST,HOUSTON,TX 77005
关键词
D O I
10.1021/jp9530212
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Since their discovery, the fullerenes have challenged scientists with a wide array of problems concerning their properties, behavior, and potential applications. One such fundamental question is that of the assembly of these carbon cages. Much effort has been directed at obtaining an understanding of the process whereby graphite is transformed into fullerenes. In a previous work, we introduced a novel interpretation of the ion chromatography results from fullerene generation experiments. In this work, that interpretation is expanded and ab initio calculations are performed to illustrate how the model explains the experimental results. This ''cycloaddition model'' is then used to develop a plausible fullerene assembly mechanism.
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页码:6492 / 6498
页数:7
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