A theoretical investigation of the lead‐free double perovskites halides Rb2XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications
In this study, structural, electronic, optical, thermoelectric, and thermodynamics properties of
vacancy‐ordered double perovskites Rb2XCl6 (X= Se, Ti) were explored theoretically. The …
vacancy‐ordered double perovskites Rb2XCl6 (X= Se, Ti) were explored theoretically. The …
Progress in theoretical study of lead-free halide double perovskite Na2AgSbX6 (X = F, Cl, Br, and I) thermoelectric materials
Context Herein, we have studied progressively novel metal lead-free halide double
perovskite renewable energy materials. Due to their potential use in electronic devices …
perovskite renewable energy materials. Due to their potential use in electronic devices …
First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations
We investigate the structural, optoelectronic, and thermoelectric properties of halide double
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …
A comprehensive DFT analysis of the physical, optoelectronic and thermoelectric attributes of Ba2lnNbO6 double perovskites for eco-friendly technologies
Within the framework of density functional theory (DFT), as executed in WIEN2k as well as
semi-classical Boltzmann transport theory, we reported structural, electronic, elastic, optical …
semi-classical Boltzmann transport theory, we reported structural, electronic, elastic, optical …
The study of new double perovskites K2AgAsX6 (X = Cl, Br) for energy-based applications
MA Ali, RA Alshgari, AA Awadh Bahajjaj… - Journal of Taibah …, 2023 - Taylor & Francis
Halide double perovskites are the best alternative to Pb-halide perovskites. These materials
play an important role in renewable energy generation. Therefore, we explore the physical …
play an important role in renewable energy generation. Therefore, we explore the physical …
Ab-initio investigation of novel lead-free halide based Rb2CsXI6 (X= Ga, In) double perovskites: Mechanical, structural, thermoelectric, and optoelectronic potential for …
A Kumari, JA Abraham, C Sreelekshmi… - Materials Science and …, 2024 - Elsevier
In this study, the investigation of Rb 2 CsXI 6 (X= Ga, In) double perovskites (DPs) utilized
the full potential linearized augmented plane wave (FP-LAPW) approximation and semi …
the full potential linearized augmented plane wave (FP-LAPW) approximation and semi …
Exploring the structural, Mechanical, electronic, optical, and thermoelectric properties of Cesium-based double perovskite Cs2GeSnX6 (X= Cl, Br, I) compounds: A …
D Abdullah, DC Gupta - Materials Science in Semiconductor Processing, 2023 - Elsevier
Abstract The Cubic Cs 2 GeSnX 6 (X= Cl, Br, I) double perovskite's structural, thermoelectric,
electronic, and optical properties are examined within the framework of density functional …
electronic, and optical properties are examined within the framework of density functional …
Effect of bandgap tunability on the physical attributes of potassium-based K2CuBiX6 (X= I, Br, Cl) double perovskites for green technologies
Potassium-based perovskites hold significant potential to revolutionize renewable
technology by enabling more cost-effective and sustainable energy devices. The DFT …
technology by enabling more cost-effective and sustainable energy devices. The DFT …
Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler …
B Gurunani, DC Gupta - Journal of Materials Science, 2024 - Springer
Density functional theory was employed to investigate the structural, electronic, elastic,
thermodynamic, and thermoelectric characteristics of RhNbZ (Z= Si, Ge) half-Heusler …
thermodynamic, and thermoelectric characteristics of RhNbZ (Z= Si, Ge) half-Heusler …
Eco-friendly lead-free halide double perovskites A 2 CuMCl 6 (A= K, Rb; M= Sb, Bi): stability, thermoelectric, and optoelectronic advancements through theoretical …
Lead-free halide double perovskites (A2BB′ X6) offer eco-friendly alternatives to lead
halide perovskites due to their enhanced stability. However, there is still a paucity of …
halide perovskites due to their enhanced stability. However, there is still a paucity of …