First principles insight on mechanical stability, optical and thermoelectric response of novel lead-free Rb2ScCuBr6 and Cs2ScCuBr6 double perovskites
In this article, the structural properties, mechanical stability as well as electronic, optical, and
thermoelectric response of novel lead-free Rb 2 ScCuBr 6 and Cs 2 ScCuBr 6 double …
thermoelectric response of novel lead-free Rb 2 ScCuBr 6 and Cs 2 ScCuBr 6 double …
Structural, elastic, optoelectronic, and transport properties of Na-based halide double perovskites Na2CuMX6 (M = Sb, Bi, and X = Cl, Br) as renewable energy …
The structural, elastic, optoelectronic, and transport properties of the double perovskites
Na2CuMX6 (M= Sb, Bi, and X= Cl, Br) were investigated through the utilization of the DFT …
Na2CuMX6 (M= Sb, Bi, and X= Cl, Br) were investigated through the utilization of the DFT …
Exploring physical characteristics of double perovskites Na2CuAsX6 (X= F, Cl, Br, and I) for solar energy harvesting and wasted heat recovery applications
The current research is intended to investigate the physical properties of the Na 2 CuAsX 6
(X= F, Cl, Br, and I) double perovskites using the density functional theory (DFT) framework …
(X= F, Cl, Br, and I) double perovskites using the density functional theory (DFT) framework …
Theoretical investigations of double perovskites Rb2YCuX6 (X= Cl, F) for green energy applications: DFT study
Double perovskites, which have remarkable performance, great stability, environmental
friendliness, and are Pb-free, are emerging materials for solar cells and thermoelectric …
friendliness, and are Pb-free, are emerging materials for solar cells and thermoelectric …
Exploring Novel Ba2MBiO6 (M = Sm, Tb) Oxide Double Perovskites Employing DFT
In the present work, we investigate the structural, elastic, optical, and electronic properties of
Ba2MBiO6 (M= Sm, Tb) oxide double perovskites, using Density Functional Theory within …
Ba2MBiO6 (M= Sm, Tb) oxide double perovskites, using Density Functional Theory within …
First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics …
Due to their stability, eco-friendly nature, lack of lead, and high performance, double
perovskites are promising materials for solar cells, thermoelectric generators, and …
perovskites are promising materials for solar cells, thermoelectric generators, and …
Optical and transport properties of novel X2BAgCl6 (where X= K, Rb, Cs, and B= Sc, Y) double perovskites
Double perovskites have been found highly stable and suitable for the renewable
applications. Predicitng new materials is essential for the continus supply for novel devices …
applications. Predicitng new materials is essential for the continus supply for novel devices …
Study of mechanical, optoelectronic, and thermoelectric characteristics of Be/Mg ions Based double perovskites A2FeH6 (A= Be, Mg) for hydrogen storage …
This study addresses the hydrogen storage capabilities and mechanical, optoelectronic, and
thermoelectric features of double perovskite hydrides A 2 FeH 6 (A= Be, Mg). The structural …
thermoelectric features of double perovskite hydrides A 2 FeH 6 (A= Be, Mg). The structural …
DFT exploration of elastic, optoelectronic, and thermoelectric properties of stable and eco-friendly double perovskites Cs2YAuX6 (X= Cl, Br) for green energy …
In the current investigation, we have implemented first-principles calculations to examine the
structural, elastic, electrical, and optical characteristics of Cs 2 YAuX 6 (X= Cl, Br). The …
structural, elastic, electrical, and optical characteristics of Cs 2 YAuX 6 (X= Cl, Br). The …
Insight into the structural, electronic, mechanical, and optical properties of Pb-free new inorganic perovskite Mg3SbX3 (X= I, Br, Cl, F) via first-principles analysis
The structural, electronic, mechanical, and optical properties of lead-free new inorganic
halide perovskites of Mg 3 SbX 3 (X= I, Br, Cl, F) have been investigated in detail using DFT …
halide perovskites of Mg 3 SbX 3 (X= I, Br, Cl, F) have been investigated in detail using DFT …