Prospective lead-free fluorine double perovskites Rb2B'BiF6(B' = Ag, Cu, In): Unveiling solar cell and optoelectronic promise through ab-initio insights

Autor: Siad, A. Bekhti, Siad, M.B., Allouche, A., Djelid, K., Baira, M.
Zdroj: Chinese Journal of Physics; June 2024, Vol. 89 Issue: 1 p528-540, 13p
Abstrakt: •Improvement of PBE-GGA and LDA approximations for Rb2B'BiF6double perovskites.•Indirect band gap for Rb2AgBiF6and Rb2CuBiF6and direct one for Rb2InBiF6.•Enhanced absorption increases the potential of solar cells and optoelectronic devices.•Thermoelectric properties reveal a figure of merit close to 1.
Databáze: Supplemental Index