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Boron interaction with double-walled carbon nanotubes across temperature ranges

, 
Shahnozakhon Muminova
Shahnozakhon Muminova
, 
Kamoliddin Mehmonov
Kamoliddin Mehmonov
,  , 
Abror Ulukmuradov
Abror Ulukmuradov
10.3897/j.moem.10.3.131526
Published 9 October 2024
Communication , Volume 10, Issue 3, 145-152
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Uljayev U. et al. Boron interaction with double-walled carbon nanotubes across temperature ranges // Modern Electronic Materials. 2024. Vol. 10. No. 3. pp. 145-152.
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Uljayev U., Muminova S., Mehmonov K., Yadgarov I., Ulukmuradov A. Boron interaction with double-walled carbon nanotubes across temperature ranges // Modern Electronic Materials. 2024. Vol. 10. No. 3. pp. 145-152.
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TY - JOUR
DO - 10.3897/j.moem.10.3.131526
UR - https://moem.colab.ws/publications/10.3897/j.moem.10.3.131526
TI - Boron interaction with double-walled carbon nanotubes across temperature ranges
T2 - Modern Electronic Materials
AU - Uljayev, Utkir
AU - Muminova, Shahnozakhon
AU - Mehmonov, Kamoliddin
AU - Yadgarov, Ishmumin
AU - Ulukmuradov, Abror
PY - 2024
DA - 2024/10/09
PB - НИТУ МИСИС
SP - 145-152
IS - 3
VL - 10
ER -
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@article{2024_Uljayev,
author = {Utkir Uljayev and Shahnozakhon Muminova and Kamoliddin Mehmonov and Ishmumin Yadgarov and Abror Ulukmuradov},
title = {Boron interaction with double-walled carbon nanotubes across temperature ranges},
journal = {Modern Electronic Materials},
year = {2024},
volume = {10},
publisher = {НИТУ МИСИС},
month = {Oct},
url = {https://moem.colab.ws/publications/10.3897/j.moem.10.3.131526},
number = {3},
pages = {145--152},
doi = {10.3897/j.moem.10.3.131526}
}
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Uljayev, Utkir, et al. “Boron interaction with double-walled carbon nanotubes across temperature ranges.” Modern Electronic Materials, vol. 10, no. 3, Oct. 2024, pp. 145-152. https://moem.colab.ws/publications/10.3897/j.moem.10.3.131526.
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Keywords

boron adsorption
boron doping
double-walled carbon nanotube
reactive molecular dynamics

Abstract

Boron-adsorbing carbon nanotubes receive considerable attention in materials science due to their unique properties and potential applications. In particular, boron-adsorbing double-walled carbon nanotubes (DWNTs) exhibit a wide range of tunable electronic and optoelectronic properties. This study explores the influence of boron atoms on metallic (5,5@10,10) and semiconducting (8,0@17,0) DWNTs. We examine alterations in partial charge depending on the quantity of boron atoms adsorbed and affixed to the DWNT surface across temperatures from 300 K to 900 K. The results show that in both DWNTs, with the increase of energy corresponding to the temperature, the adsorption index of boron atoms (adsorbed to the first layer of DWNT) and the positive partial charge increase. Specifically, the maximum partial charge of DWNT(8,0)@(17,0) and DWNT(5,5)@(10,10) is 1.94e and 1.30e (at 300 K), 4.87e and 3.66e (at 600 K), 6.97e and 6.16e (at 900 K). Increasing boron concentration leads to heightened positive partial charge of DWNTs. This, in turn, affects the conductivity of the nanotube.

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