The efficacy of temperature changes and single carbon atom impurity on the thermoelectric properties of the (۶, ۰) two sided-closed single-walled boron nitride nanotubes ((۶, ۰) TSC-SWBNNTs)
Publish Year: 1401
نوع سند: مقاله ژورنالی
زبان: English
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شناسه ملی سند علمی:
JR_JITF-6-1_002
تاریخ نمایه سازی: 12 شهریور 1402
Abstract:
In this study, the thermoelectric properties of (۶, ۰) two sided-closed single-walled boron nitride nanotube ((۶, ۰) TSC-SWBNNT) in the state without impurity and a single carbon atom impurity instead of boron and nitrogen atoms in the center, left and right The nanotube was investigated in the energy range of -۵.۵ to ۵.۵ eV and temperatures of ۲۰۰, ۳۰۰, ۵۰۰, ۷۰۰, ۹۰۰, ۱۱۰۰ and ۱۳۰۰ K. The results show that, with the increase in temperature and the creation of impurity, the band gap is affected and becomes noticeably smaller. The highest decrease in band gap is at ۱۳۰۰ K. With increasing temperature, the number of peaks has decreased, which shows that the mobility of electrons and holes has increased and their localization has decreased. As the temperature increases, the height of the thermal conduction peaks increases. But in general, the thermal conduction values are in the range of ۹-۱۰ nanoscale. Merit coefficient (ZT) values have increased with the increase in temperature, and the highest values are related to the temperature of ۱۳۰۰ K. The high values of ۱ for ZT especially at high temperatures indicates that (۶, ۰) TSC-SWBNNT are suitable for choosing as thermoelectric material.
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Authors
علی محمد یدالهی
Department of Physics, Ayatollah Amoli Branch, Islamic Azad University, Amol, Iran
محمد رضا نیازیان
Department of Physics, Ayatollah Amoli Branch, Islamic Azad University, Amol, Iran
معصومه فیروزی
Department of Physics, Kashan Branch, Islamic Azad University, Kashan, Iran
ابوالفضل خدادادی سریزدی
Department of Physics, North Tehran Branch, Islamic Azad University, Tehran, Iran