Enhancement of Thermoelectric Efficiency and Optical Properties of Hydrogen Absorption in SiC:Mn Nanotube

• Autorzy: Shahraki Amir Toofani , Gol Heydar Ali Shafiei , Kimiagar Salimeh , Dehnavi Naser Zare

Identyfikatory

DOI

10.24425/amm.2022.137770

• Języki publikacji: EN

Abstrakty

EN

The effects of hydrogen absorption and manganese substitution on structural, electronic, optical, and thermoelectric properties of silicon-carbon nanotubes (SiCNT) are studied using the density functional theory and the GGA approximation. An examination of the PDOS curves and the electronic band structure showed that the Mn substitution leads to an increase in magnetic anisotropy and the occurrence of semi-metallic behavior and that the hydrogen absorption shifts the band gap toward the lower energies. A study of these nanostructures’ thermoelectric behavior reveals that the H absorption leads to a significant escalation in the figure of merit of the SiCNT to about 1.6 in the room temperature range. The effects of the H absorption on this nanotube’s optical properties, including the dielectric functions and its absorption spectra, are also investigated.

Słowa kluczowe

EN

DFT; SiC:Mn-H NT; electronic property; thermometric; optical property

• Wydawca: Institute of Metallurgy and Materials Science of Polish Academy of Sciences ; Committee of Materials Engineering and Metallurgy of Polish Academy of Sciences
• Czasopismo: Archives of Metallurgy and Materials
• Rocznik: 2022
• Tom: Vol. 67, iss. 2
• Strony: 397--403
• Opis fizyczny: Bibliogr. 65 poz., rys., tab.

Twórcy

autor

Shahraki Amir Toofani

• Department of Physics, Central Tehran Branch, Islamic Azad University, Tehran, Iran

autor

Gol Heydar Ali Shafiei

• Department of Physics, Central Tehran Branch, Islamic Azad University, Tehran, Iran

autor

Kimiagar Salimeh

• Nano Research Lab (NRL), Department of Physics, Central Tehran Branch, Islamic Azad University, Tehran, Iran

autor

Dehnavi Naser Zare

• Department of Physics, Central Tehran Branch, Islamic Azad University, Tehran, Iran

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Uwagi

Opracowanie rekordu ze środków MEiN, umowa nr SONP/SP/546092/2022 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2022-2023).