Anomalous thermal stability of metastable C20 fullerene

被引：45

作者：

Davydov, IV ^{[1
]}

Podlivaev, AI ^{[1
]}

Openov, LA ^{[1
]}

机构：

[1] State Univ, Moscow Engn Phys Inst, Moscow 115409, Russia

来源：

PHYSICS OF THE SOLID STATE | 2005年 / 47卷 / 04期

关键词：

D O I：

10.1134/1.1913997

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The results of computer simulation of the dynamics of fullerene C-20 at different temperatures are presented. It is shown that, although it is metastable, this isomer is very stable with respect to the transition to a lower energy configuration and retains its chemical structure under heating to very high temperatures, T approximate to 3000 K. Its decay activation energy is found to be E-a approximate to 7 eV. Possible decay channels are studied, and the height of the minimum potential barrier to decay is determined to be U = 5.0 eV. The results obtained make it possible to understand the reasons for the anomalous stability of fullerene C-20 under normal conditions. (C) 2005 Pleiades Publishing, Inc.

引用

页码：778 / 784

页数：7

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