Study of mechanical, optical, and thermoelectric characteristics of Ba2XMoO6 (X = Zn, Cd) double perovskite for energy harvesting
Year: 2023
Type: article
Abstract: The double perovskites are become the emerging aspirant to fulfill the demand of energy. Therefore, the optoelectronic, elastic and transport characteristics of Ba2XMoO6(X = Zn, Cd) are addressed systemically. The elastic constants show the mechanical stability. The nature of Ba2ZnMoO6is brittle and Ba2CdMoO6is ductile with large values of Debye temperature covalent bonding. The electronic band structures exhibit band gaps of 2.81 and 2.98 eV, which increase their importance for optoelectronic applications. The absorption of light energy, optical loss, refractive index, polarization of light energy are addressed in the energy range zero to 14 eV. Furthermore, thermoelectric characteristics are computed against chemical potentials at 300, 600, and 900 K. The chemical potential decides the p‐type nature, with holes as majority carriers. The increasing temperature increases the power factor and figure of merit. Therefore, the optoelectronic and thermoelectric characteristics reveals the importance of studied DPs for energy applications.
DOI: 10.1002/jcc.27209
Institutions: Ministry of Education and Higher Education, Université Djilali de Sidi Bel Abbès, Hassiba Benbouali University of Chlef, Princess Nourah bint Abdulrahman University, Qassim University, University of Monastir, Birla Institute of Technology, Mesra, Université Sultan Moulay Slimane, King Khalid University, Uttaranchal University, South Valley University, Jouf University
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
Awards: G1448457493, G2028714225
OpenAlex ID: W4386046835