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CONDENSED MATTER

Temperature dependence of the band gap of completely fluorinated/hydrogenated carbon nanotubes: the role of one-dimensional chains

V. L. Katkov, V. A. Osipov

Joint Institute for Nuclear Research, Dubna, Moscow region, 141980 Russia

Abstract: The temperature dependence of the band gap $E_g(T)$ 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 $E_g(T)$, 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 $E_g(T)$ 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.

Received: 10.10.2023
Revised: 17.10.2023
Accepted: 18.10.2023

DOI: 10.31857/S1234567823220081

 English version: Journal of Experimental and Theoretical Physics Letters, 2023, 118:10, 754–758