Study of the dependence of the ZT figure of merit on doping and temperature of ZnO

Autor:	Mohamed Khuili, Hajar Saadi, Nejma Fazouan, Yassine Sadiki, Samah Al-Qaisi, El Houssine Atmani, El Hassan Abba
Rok vydání:	2023
Předmět:	Numerical Analysis Mechanics of Materials Modeling and Simulation General Materials Science Computer Science Applications
Zdroj:	International Journal of Computational Materials Science and Engineering.
ISSN:	2047-685X 2047-6841
DOI:	10.1142/s2047684123500136
Popis:	In this study, we have calculated thermoelectric properties as a function of temperature and doping of the most stable phases of ZnO using first-principle calculations combined with semi-classical equation of Boltzmann. The nature of electrical conductivity is determined; the coefficient of Seebeck and figure of merit as a function of a charge carrier concentration of three structures studied are calculated. At high doping concentration, the rocksalt phase shows the best figure of merit.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7a79225e7c7cb3c7c76afa00e12fdd87 https://doi.org/10.1142/s2047684123500136 Zobrazit plný text záznamu