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Theoretical investigations of optoelectronic and transport properties of Rb2YInX6 (X = Cl, Br, I) double perovskite materials for solar cell applications
Ist Teil von
Solar energy, 2022-01, Vol.231, p.586-592
Ort / Verlag
New York: Elsevier Ltd
Erscheinungsjahr
2022
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
•Rb2YInX6 (X = Cl, Br, I) double perovskites have highly structural stability determined from volume-energy optimization and negative formation energy.•Direct bandgap in the range of 3.05–2.20 eV make them more attractive materials.•The Rb2YInBr6 have large value of figure of merit which means it has largest conversion efficiency to convert thermal energy into electrical energy.
The double perovskite-based materials have attracted considerable attention of scientists owing to their potential applications in optoelectronic and transport properties. Here, we report the optoelectronic and transport properties of Rb2YInX6 (X = Cl, Br, I) double perovskites by DFT computations. By computing tolerance factor (tG), enthalpy of formation (ΔHf) and lattice constant (ao), the thermodynamic and structural stabilities are verified. The energy bandgap computations for Rb2YInX6 gives direct bandgap having values 3.05, 2.60 and 2.20 eV for Cl, Br and I based compositions respectively. Optical absorption calculations executed within the energy range of 2–8 eV which validate its use in optoelectronic applications like solar cells. Using semi classical Boltzmann theory computed values of ZT illustrates that Rb2YInBr6 is fairly good candidate for transport applications. These compounds may attain consideration in optoelectronic and thermoelectric properties.