A kinetic model of carbon cluster growth including polycyclic rings and fullerene formation

被引：11

作者：

Alexandrov, AL

Schweigert, VA

机构：

[1] Inst. of Theor. and Appl. Mechanics

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 263卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(96)01206-7

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：

The discovery of polycyclic cluster formation in condensing carbon, together with their spontaneous conversion to fullerenes, offered a possibility to explain the mechanism of fullerene formation in carbon vapor. A kinetic model of these processes, based on previous quantum-chemical calculations, is described here. Five basic cluster isomer types are considered. The main kinetic mechanisms of the model are the coalescence between all types of clusters and conversion of polycyclic rings to fullerenes. The model gives substantial agreement with a row of experimental observations. The isomer abundances, shape of mass spectra and high mass yield of fullerenes can be described quiet well.

引用

页码：551 / 558

页数：8

共 20 条

[1] KINETICS OF CLUSTER FORMATION IN THE LASER VAPORIZATION SOURCE - CARBON CLUSTERS [J].