کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7992177 | 1516146 | 2018 | 30 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Origin of ultra-low lattice thermal conductivity in Cs2BiAgX6 (X=Cl, Br) and its impact on thermoelectric performance
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Origin of ultra-low lattice thermal conductivity in Cs2BiAgX6 (X=Cl, Br) and its impact on thermoelectric performance Origin of ultra-low lattice thermal conductivity in Cs2BiAgX6 (X=Cl, Br) and its impact on thermoelectric performance](/preview/png/7992177.png)
چکیده انگلیسی
We have explored electronic and thermoelectric properties of bismuth-based double-perovskite halides Cs2BiAgX6 (Xâ¯=â¯Cl, Br) by using first principles calculations. The calculated indirect bandgaps 2.85â¯eV and 1.99â¯eV for Cs2BiAgCl6 and Cs2BiAgBr6, respectively well agree with the measured values (2.77â¯eV of Cs2BiAgCl6 and 2.19â¯eV of Cs2BiAgBr6). We have calculated the relaxation time and lattice thermal conductivity by using relaxation time approximation (RTA) within the supercell approach. The lattice thermal conductivities for both compounds are remarkably low and the obtained values at 300â¯K for Cs2BiAgCl6 and Cs2BiAgBr6 are 0.078 and 0.065 Wm-1K-1, respectively. Such quite low lattice thermal conductivity arises due to low phonon group velocity in the large weighted phase space and large phonon scattering. The large Seebeck coefficient obtained for both halides at 400â¯K. We have obtained the maximum power factors at 700â¯K and the corresponding thermoelectric figure of merit for Cs2BiAgCl6 and Cs2BiAgBr6 are 0.775 and 0.774, respectively. The calculated results reveal that both halides are potential thermoelectric materials.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 748, 5 June 2018, Pages 63-72
Journal: Journal of Alloys and Compounds - Volume 748, 5 June 2018, Pages 63-72
نویسندگان
Enamul Haque, M. Anwar Hossain,