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بررسی خواص الکترونی، اپتیکی و ترموالکتریکی نانو لوله‌های (8، 0) WSe2 و (8، 0)WSeS | ||
| فصلنامه علمی اپتوالکترونیک | ||
| مقاله 1، دوره 7، شماره 3 - شماره پیاپی 20، فروردین 1404، صفحه 9-20 اصل مقاله (1.28 M) | ||
| نوع مقاله: پژوهشی | ||
| شناسه دیجیتال (DOI): 10.30473/jphys.2024.72177.1211 | ||
| نویسندگان | ||
| اصغر قادری1؛ آرش بوچانی* 2؛ علیرضا هژبری1؛ فاطمه حاج اکبری3 | ||
| 1گروه فیزیک واحد کرج، دانشگاه آزاد اسلامی ،کرج،ایران | ||
| 2گروه فیزیک واحد کرمانشاه،دانشگاه آزاد اسلامی ،کرمانشاه،ایران | ||
| 3عضو هیات علمی دانشگاه ازاد اسلامی واحد کرج- گروه فیزیک | ||
| چکیده | ||
| بر اساس محاسبات تئوری تابعی چگالی، خواص الکترونیکی، نوری و ترموالکتریک نانولوله‌های (8، 0) WSe2 و (8، 0)WSeS بررسی شده‌اند. نانولوله (8، 0) WSe2 دارای شکاف انرژی 2/0 الکترون ولت است و این شکاف با افزودن یک اتم Se در آن کاهش می‌یابد. ساختار نوار نشان می‌دهد که نانولوله (8، 0) WSe2 نیمه هادی نوع p و ترکیب (8، 0)WSeS از نوع n است. بخش موهومی تابع دی‌الکتریک نشان می‌دهد که این دو ساختار در ناحیه مادون قرمز پاسخ اصلی به نور دارند و دارای شکاف‌های نوری کوچکی هستند، در حالی که توابع اتلاف انرژی نوری کمترین مقدار را در این ناحیه انرژی دارند. در دمای 200 کلوین، رقم ضریب مریت نانولوله (8، 0)WSeS بزرگ‌تر از (8، 0) WSe2 است، اما در دماهای بالا ضریب توان نانولوله (8، 0) WSe2 بیشتر است، که نشان می‌دهد این مورد برای ژنراتورهای برق مناسب است. | ||
| کلیدواژه‌ها | ||
| نظریه تابعی چگالی؛ نانو لوله (8؛ 0) WSe2و (8؛ 0)WSeS؛ الکترونیک؛ اپتیک؛ ترموالکتریک | ||
| عنوان مقاله [English] | ||
| Electronic, Optical and Thermoelectric Properties of WSe2(8,0) and WSeS(8,0) Nanotubes | ||
| نویسندگان [English] | ||
| Asghar Ghaderi1؛ arash boochani2؛ Alireza Hojabri1؛ Fatemeh Hajakbari3 | ||
| 1Department of Physics, Karaj Branch, Islamic Azad University, Karaj, iran | ||
| 2Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran. | ||
| 3Department of physics, Karaj Branch,Islamic Azad University, Karaj, Iran | ||
| چکیده [English] | ||
| Based on density functional theory calculations, the electronic, optical and thermoelectric properties of WSe2(8,0) and WSeS(8,0) nanotubes have been investigated. The WSe2(8,0) nanotube has 0.2eV energy gap, and this gap is reduced by adding a Se atom to it. The band structure shows that the WSe2(8,0) nanotube is p-type semiconductor and WSeS(8,0) compound is n-type. The imaginary part of the dielectric function shows that these two structures have main response to the light in the infrared region and have small optical gaps, while the optical energy loss functions have the lowest values in this energy region. At a temperature of 200 K, the figure of merit coefficient of the WSeS(8,0) nanotube is larger than WSe2(8,0) one, but at high temperatures, the power factor coefficient of the WSe2(8,0) nanotube is higher, which shows that this case is suitable for power generators. | ||
| کلیدواژه‌ها [English] | ||
| DFT, WSe2(8, 0) and WSeS(8, 0) Nanotubes, Electronic, Optic, Thermoelectric | ||
| مراجع | ||
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