First-principles study of structural, electronic and thermoelectric properties of nidoped Bi2 Se3

• Main Authors: Muhammad Zamir Mohyedin,, Mohamad Fariz Mohamad Taib,, Afiq Radzwan,, Masnawi Mustaffa,, Amiruddin Shaari,, Ul-Haq, Bakhtiar, Oskar Hasdinor Hassan,, Muhd Zu Azhan Yahya,
• Format: Article
• Language: English
• Published: Penerbit Universiti Kebangsaan Malaysia 2020
• Online Access: http://journalarticle.ukm.my/16012/1/21.pdf; http://journalarticle.ukm.my/16012/; https://www.ukm.my/jsm/malay_journals/jilid49bil11_2020/KandunganJilid49Bil11_2020.html

Direct conversion of waste heat to electrical energy could address present energy challenges. Bi2 Se3 is one of few thermoelectric materials known to operate at room temperature. Comprehensive analysis using density functional theory was conducted to explore the effect of nickel doping on struc...