محاسبه و مقایسه ضریب‌های گرما‌الکتریک پروسکایتهای CsBX با استفاده از نظریه ترابرد بولتزمن

نوع مقاله : مقاله پژوهشی

نویسنده

گروه فیزیک، دانشگاه پیام نور مرکز همدان، همدان، ایران

10.22036/cr.2021.272854.1133

چکیده

چکیده: افزایش روزافزون دمای کره ی زمین و همچنین اتمام انرژیهای تجدیدناپذیر در نسلهای آتی محققین را وادار به بررسی جایگزین این انرژی ها نموده است. نتیجه تحقیقات نشان می دهد مواد ترموالکتریک که نوعی مبدلهای انرژی حالت جامد همراه با ترکیبی از خواص حرارتی الکتریکی و نیمه رسانایی هستند که منجر به تبدیل انرژی حرارتی اتلافی به الکتریسیته میگردند، طبق تعاریف میتوانند جایگزین مناسبی باشند. دسته ای از مواد که اخیرا توجه محققین را به خود جلب نموده اند پروسکایتهایی با ترکیب هالوژن-فلز (MHP) می باشند. . لازم به ذکر است که (MHP) سر واژه های metal-halide perovskites می باشند. بر اساس نظریه آلتنکیرچ کیفیت مواد ترموالکتریک با ضرایب سیبک و رسانش گرمایی تعیین می گردد. در این کار از ﻧﻈﺮﯾﻪ ﺗﺮاﺑﺮد ﻧﯿﻤﻪﮐﻼﺳﯿﮑﯽ ﺑﻮﻟﺘﺰﻣﻦ در قالب بسته نرم افزاری "بولتز ترپ" جهت محاسبه ﺿﺮاﯾﺐ ﺗﺮاﺑﺮد استفاده شده است. این ﻧﻈﺮﯾﻪ در ﻣﻮارد ﺑﺴﯿﺎری دارای ﺟﻮاﺑﻬﺎﯾﯽ اﺳﺖ ﮐﻪ ﺑﺎ ﻧﺘﺎﯾﺞ ﺗﺠﺮﺑﯽ ﺗﻮاﻓﻖ ﺑﺴﯿﺎر ﺧﻮﺑﯽ دارد . با استفاده از از بسته نرم افزاری " کوانتوم اسپرسو" تغییرات اندازه باند ممنوعه با تغییرات هالوژن موجود در ترکیب پروسکایت مورد بررسی قرار گرفته است. در این کار همچنین جرم موثر حاملهای بار مورد محاسبه قرار گرفته اند.

چکیده تصویری

محاسبه و مقایسه ضریب‌های گرما‌الکتریک پروسکایتهای CsBX با استفاده از نظریه ترابرد بولتزمن

کلیدواژه‌ها


عنوان مقاله [English]

Calculation and comparison thermoelectric coefficients of CSAB3 perovskites using Boltzmann theory

نویسنده [English]

  • Ali Hossein Mohammad Zaheri
Department of physics- payame Noor University- Hammedan
چکیده [English]

Abstract
Rising global temperatures, as well as the depletion of non-renewable energy in future, have forced researchers for finding alternatives to these energies. Researches show that thermoelectric materials, which are a type of energy converters with a combination of electrical and semiconductor thermal properties that convert wasted thermal energy into electricity, can by definition be a viable alternative. A group of materials that have recently attracted the attention of researchers are perovskites with halogen-metal compound (MHP) ,(metal-halide perovskites). According to Altenkirch's theory, the quality of thermoelectric materials is determined by the coefficients of the Seebeck coefficient and the thermal conductivity. In order to calculate the charge carrier transport coefficients, the "Boltz Trap" software package has been used. The results of Boltzmann transfer theory are in many cases consistent with the results of experimental researches. Using the "Quantum Espresso" software package, the changes in the band gap size with the halogen changes in the perovskite composition have been investigated. In this work, the effective mass of charge carriers also have been calculated.

کلیدواژه‌ها [English]

  • "Thermoelectric materials"
  • " Halogen-metal perovskites
  • "
  • Boltz Treppackage "
  • "Quantum Espresso package"
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