Structural, elastic, optoelectronic, and transport properties of Na-based halide double perovskites Na2CuMX6 (M = Sb, Bi, and X = Cl, Br) as renewable energy materials: A DFT insight

The structural, elastic, optoelectronic, and transport properties of the double perovskites Na 2 CuMX 6 (M = Sb, Bi, and X = Cl, Br) were investigated through the utilization of the DFT-based WIEN2k and BoltzTraP codes. We first explored the structural, electrical, and optical characteristics of Na...

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Veröffentlicht in:	Journal of materials research Jg. 38; H. 20; S. 4609 - 4624
Hauptverfasser:	Ayyaz, Ahmad, Murtaza, G., Umer, M., Usman, Ahmad, Raza, Hafiz Hamid
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Cham Springer International Publishing 28.10.2023 Springer Nature B.V
Schlagworte:	Absorption spectra Alternative energy Antimony Applied and Technical Physics Biomaterials Bismuth Chemistry and Materials Science Deformation Elastic properties Gibbs free energy Heat of formation Inorganic Chemistry Lead Materials Engineering Materials Science Nanotechnology Optical properties Optoelectronics Perovskites Photovoltaic cells Physical properties Point defects Renewable energy Renewable resources Solar cells Stability Transport properties Solar cell applications Optoelectronic DFT Stability Elastic Transport properties
ISSN:	0884-2914, 2044-5326
Online-Zugang:	Volltext
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