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Tytuł artykułu

In-Silico Investigation of Photovoltaic Performance of MgXS3 (X = Ti and Zr) Chalcogenide Perovskites Compounds

Autorzy
Olopade Muteeu , Oyebola Olusola , Balogun Rilwan O. , Adewoyin Adeyinka D. , Adegboyega A. B.
Treść / Zawartość
Pełne teksty:
Olopade_In-Silico_AMM_2024_3.pdf
Identyfikatory
DOI
10.24425/amm.2024.150914
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
First-principles density functional formulation was used to explore the electronic and optical properties of magnesium chalcogenides sulfides, MgXS3 (X = Ti and Zr), which compose of magnesium titanium sulfide, MgTiS3, and magnesium zirconium sulfide, MgZrS3. The lattice parameter calculations for MgZrS3 yielded 9.19 Å, a bulk modulus of 170.6 GPa, and an equilibrium volume of 423.03 Å3. In contrast, MgTiS3 yielded 9.27 Å, a bulk modulus of 251.3 GPa, and an equilibrium volume of 117.06 3 Å3. The computation gave a direct bandgap value for MgTiS3 and MgZrS3 of 1.1 eV and 1.3 eV, respectively. The dielectric constants of 38 and 32 were observed for the imaginary and real values for energy equivalents of 0.7 eV and 1.35 eV. The determined dielectric constants and energy values of the perovskite compounds were 70 and 1.35 eV respectively with their point of intersection also at this bandgap value. The efficiency of the compounds was calculated using the spectroscopic limited maximum efficiency (SLME) in order to ascertain their output as absorber materials. The findings show that MgZrS3 had a higher efficiency value of 32.54% and MgTiS3 with 29.45%. These compounds’ computed properties point to the possibility of creating inexpensive, non-toxic absorber layer materials for use in solar cell development and other electronic applications.
Słowa kluczowe
EN
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
2024
Tom
Vol. 69, iss. 3
Strony
943--954
Opis fizyczny
Bibliogr. 86 poz., fot., rys., tab., wzory
Twórcy
autor
Olopade Muteeu
  • University of Lagos, Faculty of Science, Department of Physics, Akoka, Lagos, Nigeria
autor
Oyebola Olusola
  • University of Lagos, Faculty of Science, Department of Physics, Akoka, Lagos, Nigeria
autor
Balogun Rilwan O.
roluwanifemi@yahoo.com
  • University of Lagos, Faculty of Science, Department of Physics, Akoka, Lagos, Nigeria
  • School of Science and Technology, Pan-Atlantic University, Ibeju-Lekki, Lagos, Nigeria
autor
Adewoyin Adeyinka D.
  • University of Lagos, Distance Learning Institute, Akoka, Lagos, Nigeria
autor
Adegboyega A. B.
  • University of Lagos, Faculty of Science, Department of Physics, Akoka, Lagos, Nigeria
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