Charge - Metal interaction of a carbon nanotube

被引：8

作者：

Bakalis, Evangelos ^{[1
]}

Zerbetto, Francesco ^{[1
]}

机构：

[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy

来源：

CHEMPHYSCHEM | 2007年 / 8卷 / 07期

关键词：

carbon nanotubes; charge transfer; electrostatic interactions; metal interactions; molecular modeling;

D O I：

10.1002/cphc.200600715

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：

(Graph Presented) Simple three-dimensional functions: Carbon nanotubes can be semiconducting or metallic and, yet, their interactions with other molecules are often treated as if they were all the same. The authors develop two simple three-dimensional functions that describe the extra energy of interaction of a charge with a metallic nanotube. This energy depends on the radius of the tube and the distance of the charge from either the inner or outer surface of the conducting tube. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1005 / 1008

页数：4

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