First principle study of lead‐free double perovskites halides Rb2Pd(Cl/Br)6 for solar cells and renewable energy devices: A quantum DFT

Summary Lead‐free double perovskites are promising materials for environmental friendly photovoltaics and other optoelectronics. In this article, optical, thermoelectric, and thermodynamic properties of Rb2Pd(Cl/Br)6 are explored by modified Becke and Johnson potential. The Goldschmidt tolerance fac...

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Veröffentlicht in:	International journal of energy research 2021-08, Vol.45 (10), p.14995-15004
Hauptverfasser:	Mahmood, Qasim, Younas, Muhammad, Ashiq, Muhammad Gul Bahar, Ramay, Shahid Mahmood, Mahmood, Asif, Ghaithan, Hamid M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Anions Environmental management Figure of merit figure of merits First principles Free energy Halides Heat of formation modified Becke and Johnson potential Optical properties optoelectronic and solar cells Optoelectronics Perovskites phonon dispersion Photovoltaic cells Photovoltaics Renewable energy Renewable resources Resource management Room temperature Solar cells Solar energy Stability Thermal properties Thermodynamic properties Thermoelectric generators thermoelectric properties Thermoelectricity Transport Transport properties Transport theory
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