Optoelectronic and Thermoelectric Properties of the Perovskites: NaSnX3 (X = Br or I)—A DFT Study
This paper explores the photovoltaic and thermoelectric properties of composites consisting
of NaSnX3 (X= Br or I). The study uses density functional theory in conjunction with the …
of NaSnX3 (X= Br or I). The study uses density functional theory in conjunction with the …
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 …
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 …
DFT Analysis of Ba2NbRhO6: A Promising Double Perovskite for Sustainable Energy Applications
Our study employed the full-potential linearized augmented plane wave (FP-LAPW)
approach within the density functional theory (DFT) framework to examine the fundamental …
approach within the density functional theory (DFT) framework to examine the fundamental …
A theoretical investigation of the Ba2CePtO6 double perovskite for optoelectronic and thermoelectric applications
In this work, theoretical investigations were performed for the structural, elastic,
optoelectronic, thermodynamic, and thermoelectric characteristics of barium ceroplatinate …
optoelectronic, thermodynamic, and thermoelectric characteristics of barium ceroplatinate …
Optoelectronic and thermoelectric transport phenomena in Sr2LaTaO6 and Sr2LuTaO6 double perovskites
Herein, physical characteristics of rare earth metals containing double perovskites (DPs) Sr
2 LaTaO 6 and Sr 2 LuTaO 6 are probed using density functional theory (DFT). The B site …
2 LaTaO 6 and Sr 2 LuTaO 6 are probed using density functional theory (DFT). The B site …
Insights into Ag2Mo3SeO12 for photovoltaic and optoelectronic applications: a theoretical exploration of its structural, electronic, and thermoelectric behavior
The theoretical investigation of the newly discovered quadruple perovskite Ag₂Mo₃SeO
₁₂ was conducted using density functional theory (DFT) with the generalized gradient …
₁₂ was conducted using density functional theory (DFT) with the generalized gradient …
Investigating the physical properties of lead-free halide double perovskites Cs2AgXBr6 (X= P, As, Sb) for photovoltaic and thermoelectric devices using the density …
Lead-free halide double perovskites are promising materials for photovoltaic and
thermoelectric applications due to their desirable functional features. In the present study …
thermoelectric applications due to their desirable functional features. In the present study …
Study of double perovskite materials RbX2Y3O10 (XMg, Ca, YTi, Zr) for photocatalytic applications: A DFT insights
The double perovskites have excellent photocatalytic capabilities and could be used for
water splitting purposes. Herein, we used density functional theory (DFT) computations to …
water splitting purposes. Herein, we used density functional theory (DFT) computations to …