Journal of Interfaces, Thin Films, and Low dimensional systems

The efficacy of temperature changes and single carbon atom impurity on the thermoelectric properties of the (6, 0) two sided-closed single-walled boron nitride nanotubes ((6, 0) TSC-SWBNNTs)

Document Type : Original Article

Authors

1 Department of Physics, Ayatollah Amoli Branch, Islamic Azad University, Amol, Iran

2 Department of Physics, Kashan Branch, Islamic Azad University, Kashan, Iran

3 Department of Physics, North Tehran Branch, Islamic Azad University, Tehran, Iran

Abstract

In this study, the thermoelectric properties of (6, 0) two sided-closed single-walled boron nitride nanotube ((6, 0) 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 -5.5 to 5.5 eV and temperatures of 200, 300, 500, 700, 900, 1100 and 1300 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 1300 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 9-10 nanoscale. Merit coefficient (ZT) values have increased with the increase in temperature, and the highest values are related to the temperature of 1300 K. The high values of 1 for ZT especially at high temperatures indicates that (6, 0) TSC-SWBNNT are suitable for choosing as thermoelectric material.

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Main Subjects

Article Title [Persian]

اثر تغییرات دما و ناخالصی تک اتم کربن بر ویژگیهای ترموالکتریکی نانو لوله نیترید بور دو سر بسته (6،0)

Authors [Persian]

  • علی محمد یدالهی 1
  • محمد رضا نیازیان 1
  • معصومه فیروزی 2
  • ابوالفضل خدادادی سریزدی 3

1 گروه فیزیک، دانشگاه آزاد اسلامی واحد آیت اله آملی، آمل، ایران

2 گروه فیزیک، دانشگاه آزاد اسلامی واحد کاشان، کاشان، ایران

3 گروه فیزیک، دانشگاه آزاد اسلامی واحد تهران شمال، تهران، ایران

Abstract [Persian]

در این مقاله، ویژگیهای ترموالکتریکی نانو لوله نیترید بور دو سر بسته (6،0) در حالت بدون ناخالصی و ناخالصی تک اتم کربن به جای اتمهای بور و نیتروژن در مرکز ، سمت چپ و راست این نانولوله در رنج انرژی 5.5- تا 5.5+ الکترون ولت و دماهای 200، 300، 500، 700، 900، 1100 و 1300 کلوین مورد بررسی قرار گرفته است. نتایج نشان می دهد با افزایش دما و ایجاد ناخالصی، باند گپ تحت تاثیر قرار گرفته و به طور جزیی کاهش یافته است. بیشترین کاهش در باند گپ و کمترین کاهش در ارتفاع پیک مربوط به دمای 1300 کلوین می باشد. با افزایش دما تعداد پیکها کاهش یافته است که نشان می دهد تحرک الکترونها و حفره ها افزایش یافته و جایگزیدگی آنها کاهش یافته است. همانطور که دما افزایش می یابد، ارتفاع پیکهای رسانش گرمایی افزایش می یابد. اما رسانش گرمایی در رنج 10-9 در مقیاس نانو می باشد که عدد کوچکی می باشد. ضریب شایستگی با افزایش دما افزایش یافته است و بیشترین افزایش مربوط به دمای 1300 کلوین می باشد. مقادیر ضریب شایستگی مخصوصاً در دماهای بالا بیشتر از 1 می باشد که نشان می دهد نانولوله نیترید بور دو سر بسته (6،0) شایسته برای انتخاب به عنوان ماده ترموالکتریک می باشد.

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Journal of Interfaces, Thin Films, and Low dimensional systems
Volume 6, Issue 1 - Serial Number 1
August 2022
Pages 559-571