SYSTEMATIC STUDY OF STRUCTURES AND STABILITIES OF FULLERENES

被引：87

作者：

ZHANG, BL ^{[1
]}

XU, CH ^{[1
]}

WANG, CZ ^{[1
]}

CHAN, CT ^{[1
]}

HO, KM ^{[1
]}

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS & ASTRON,AMES,IA 50011

来源：

PHYSICAL REVIEW B | 1992年 / 46卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.46.7333

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We describe a scheme to generate the ground-state network for carbon clusters. Combining this scheme with an accurate tight-binding potential for carbon, we have systematically studied the ground-state structures of fullerenes from C20 to C94. Clusters of sizes 60, 70, and 84 are found to be energetically more stable than their neighbors. The occurrence of the more abundant fullerene sizes is related to the fragmentation stability and chemical reactivity of the clusters obtained from our calculations.

引用

页码：7333 / 7336

页数：4

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