Physical, optoelectronic and thermoelectric characteristics of double perovskite (Sr₂ScBiO₆) for green energy technology using ab initio computations

Abstract

The optical properties of Sr2ScBiO6 are predicted to provide an active response and beneficial impact for various applications in the VIS and UV range. Their remarkable thermoelectric capabilities indicate their application in thermoelectric generators.

Optoelectronic and thermoelectric properties of novel stable lead-free cubic double perovskites A2NaIO6 (A = Ca, Sr) for renewable energy applications

“…It is expected that these values may increase with an increase in thickness like other DPs. 18,53 For example, Sr 2 ScBiO 6 53 has low values of SLME at small thickness, but this value increases to 21.5% at 100 μm. Likewise, Pb 2 ScBiO 6 18 demonstrates a 29.5% SLME at 100 μm.…”

“…60,61 The maximum calculated values of σ are 2.02 × 10 5 and 2.02 × 10 5 Ω −1 m −1 at 1000 K. These calculated values are higher than those reported for other DPs. 20,53,62–65…”

“…The calculated values of S are 215 and 213 μV K −1 for Ca 2 NaIO 6 and Sr 2 NaIO 6 , respectively, at 1000 K. These values are larger than the S values for other DPs. 20,53,62–65…”

“…It is evident that the ZT values increase with a rise in temperature, reaching a maximum value of 0.724 for Ca 2 NaIO 6 and 0.686 for Sr 2 NaIO 6 , which are higher than those of previously reported DPs. 20,53,62–65,67–70 Therefore, we recommend A 2 NaIO 6 DPs for applications in thermoelectric devices.…”