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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 …
A comprehensive DFT insight on physical features regarding potential applicability of double perovskites K2YCuZ6 (Z= Cl, Br) for energy harvesting applications
Herein, a comprehensive investigation of the structural, mechanical, optoelectronic, and
thermoelectric features of K 2 YCuZ 6 (Z= Cl, Br) is presented concerning their potential …
thermoelectric features of K 2 YCuZ 6 (Z= Cl, Br) is presented concerning their potential …
Structural, morphological, elastic, optoelectronic and thermoelectric properties of lead-free double perovskite Na2AgBiBr6 for photovoltaic applications: experimental …
Herein, a lead-free double perovskite is synthesized utilizing an antisolvent recrystallization
technique. The double perovskite Na 2 AgBiBr 6 is studied in detail, including its crystal …
technique. The double perovskite Na 2 AgBiBr 6 is studied in detail, including its crystal …
Evaluation of Physical Properties of A2ScCuCl6 (A = K, Rb, and Cs) Double Perovskites via DFT Framework
Herein, the structural, mechanical, optoelectronic, and transport properties of double
perovskites A2ScCuCl6 (A= K, Rb, and Cs) have been determined through simulations …
perovskites A2ScCuCl6 (A= K, Rb, and Cs) have been determined through simulations …
Comparative DFT-based investigation of physical properties of Cs2MBiBr6 (M= Ag, Cu, and Au) Perovskites: sustainable materials for renewable energy
The structural, elastic, optoelectronic, optical, and thermoelectric features of Cs 2 MBiBr 6
(M= Ag, Cu, and Au) were investigated through density functional theory (DFT) analysis. The …
(M= Ag, Cu, and Au) were investigated through density functional theory (DFT) analysis. The …
DFT aided comparative screening of mechanical, optoelectronic, and transport properties of double perovskites Cs2ScAuX6 (X= Cl, Br, and I) for green energy …
A comprehensive comparative analysis has been performed to investigate the Cs 2 ScAuX 6
(X= Cl, Br, and I) employing density functional theory. The WIEN2k code has been applied to …
(X= Cl, Br, and I) employing density functional theory. The WIEN2k code has been applied to …
Study of mechanical, optoelectronic, and thermoelectric properties of Rb2ScAuZ6 (Z= Br, I) for energy harvesting applications
In the current article, the structural, mechanical, optoelectronic, and thermoelectric properties
of Rb 2 ScAuZ 6 (Z= Br, I) have been predicted using the density functional theory (DFT) …
of Rb 2 ScAuZ 6 (Z= Br, I) have been predicted using the density functional theory (DFT) …
Revealing vibrational, elastic, electro-optic, and thermoelectric aspects of double perovskites Na2ScCuX6 (X= Cl, Br) for energy harvesting applications by …
Currently, the novel combination of double perovskites Na 2 ScCuX 6 (X= Cl, Br) is being
investigated as a potential solution to fulfil the energy requirements. For this purpose, the …
investigated as a potential solution to fulfil the energy requirements. For this purpose, the …
First-principles analysis to assess the solar water splitting and hydrogen storage capabilities of Cs2XGaH6 (X= Al, Na)
Hydrogen storage has gained popularity recently due to its advantages as an energy
source. Research on hydrogen storage applications primarily focuses on evaluating the …
source. Research on hydrogen storage applications primarily focuses on evaluating the …
Ab initio analysis of structural, optoelectronic, thermoelectric, and elastic characteristics of K2MBiBr6 (M = Na, Ag, and Cu) for green energy
MB Shakir, G Murtaza, A Ayyaz, H Khan, HI Ali… - Optical and Quantum …, 2024 - Springer
In the current investigation, we have explored the structural, electrical, optical,
thermoelectric, and elastic features of potassium (K) based halide double perovskite …
thermoelectric, and elastic features of potassium (K) based halide double perovskite …