Temperature Dependence of the Band Gap of Completely Fluorinated/Hydrogenated Carbon Nanotubes: The Role of One-Dimensional Chains

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Abstract

The temperature dependence of the band gap Eg(T) in zigzag single-walled carbon nanotubes at the maximum (50%) fluorination and hydrogenation has been theoretically investigated for three coating versions. It has been shown that the character of coating dramatically affects the dependence Eg(T), which may vary over a wide range from very weak (typical of pure carbon nanotubes) to strong (typical of bulk semiconductors). The character of the temperature behavior Eg(T) is directly related to the formation of one-dimensional alternating chains in nanotubes. The main factors determining this dependence are the diameter of carbon nanotube, impurity position, and impurity type.

About the authors

V. L. Katkov

Joint Institute for Nuclear Research

Email: katkov@theor.jinr.ru
141980, Dubna, Moscow region, Russia

V. A. Osipov

Joint Institute for Nuclear Research

Author for correspondence.
Email: osipov@theor.jinr.ru
141980, Dubna, Moscow region, Russia

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