Modeling and calculations of the physicochemical parameters of diffusion of atomic hydrogen on the surface of differently sized nanotubes with different chiralities

被引：0

作者：

A. A. Kuzubov

R. P. Avramov

M. A. Raimova

M. N. Popov

Yu. M. Milyutina

T. A. Kozhevnikova

P. V. Artyushenko

机构：

[1] Siberian Federal University,Kirenskii Institute of Physics, Siberian Division

[2] Russian Academy of Sciences,undefined

[3] Siberian State Technological University,undefined

来源：

Russian Journal of Physical Chemistry A | 2009年 / 83卷

关键词：

Hydrogen Atom; Neighboring Node; Adsorbed Hydrogen; Density Functional Theory Method; Tube Surface;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

This work is concerned with modeling the diffusion of atomic hydrogen on the surface of differently sized carbon nanotubes with different chiralities. The calculations were based on the estimation of activation energy by the density functional theory method and the use of transition state theory.

引用

页码：649 / 653

页数：4