Long-range forces between C nanotubes and between C cages: Some polarizability bounds and scaling approximations yielding interaction energies at intermediate separations

被引：9

作者：

Amovilli, C

March, NH

机构：

[1] Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy

[2] Univ Antwerp, Dept Phys, B-2020 Antwerp, Belgium

[3] Univ Oxford, Oxford, England

来源：

CARBON | 2005年 / 43卷 / 08期

关键词：

carbon nanotubes; carbon clusters; computational chemistry; modeling; electrical (electronic) properties;

D O I：

10.1016/j.carbon.2005.01.027

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：

Recent work of Schroder and Hyldgaard leads us to propose for the interaction energy per unit length phi(d, R) between two parallel C nanotubes of equal radii R at distance d, the approximate scaling property phi(d, R) =f(R)d(-5) I(R/d) where I is known. The function f(R) is expected to be model dependent. Contact is then made with the classic study of Girifalco et al. In addition, some results are presented for interaction energy between 'almost spherical' C cages. Specifically considered are (i) the HOMO-LUMO gap and (ii) bounds on polarizabilities. (c) 2005 Elsevier Ltd. All rights reserved.

引用

页码：1634 / 1642

页数：9

共 18 条

[1] Dependence of the π-electron eigenvalue sum on the number of atoms in almost spherical C cages -: art. no. 013210 [J].