DFT Insight into Structural, Electronic, Optical and Thermoelectric Properties of Eco-Friendly Double Perovskites Rb2GeSnX6 (X = Cl, Br) for Green Energy …
Halide double perovskites in the form of A2BIBIIIX6 present a rich compositional space that
holds promise for discovering novel materials possessing intriguing properties applicable in …
holds promise for discovering novel materials possessing intriguing properties applicable in …
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 …
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 …
Theoretical Investigation of the Lattice Thermal Conductivities of II–IV–V2 Pnictide Semiconductors
Ternary pnictide semiconductors with II–IV–V2 stoichiometry hold potential as cost-effective
thermoelectric materials with suitable electronic transport properties, but their lattice thermal …
thermoelectric materials with suitable electronic transport properties, but their lattice thermal …
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 …
Probing the opto-electronic, phonon spectrum, and thermoelectric properties of lead-free fluoride perovskites A2GeSnF6 (A = K, Rb, Cs) for energy harvesting …
D Abdullah, DC Gupta - Scientific Reports, 2024 - nature.com
The present work employs density functional theory to explore the structural, optoelectronic,
and thermoelectric attributes of the halide-based double perovskite A2GeSnF6 (A= K, Rb …
and thermoelectric attributes of the halide-based double perovskite A2GeSnF6 (A= K, Rb …
First principles investigations of chalcogenides perovskites for optoelectronic applications
Perovskite chalcogenides have been acknowledged as a potential candidate for solar cell
applications. We have investigated new chalcogenide perovskite A In X 3 (A= Sc, Y and X …
applications. We have investigated new chalcogenide perovskite A In X 3 (A= Sc, Y and X …
Probing the Structural, Electronic, Thermodynamic, Optical, and thermoelectric features of Lead-Free double perovskites Na2ScAgZ6 (Z= Br, I) for green energy …
In this study, we employed density-functional theory (DFT) to investigate the structural,
electrical, thermodynamic, optical, and thermoelectric characteristics of Na 2 ScAgZ 6 (Z= Br …
electrical, thermodynamic, optical, and thermoelectric characteristics of Na 2 ScAgZ 6 (Z= Br …
Impact of samarium on magnetic and optoelectronic properties of magnesium-based MgSm2X4 (X = S and Se) spinels for spintronics
Investigating novel compounds has become necessary due to the need for sophisticated
materials in optoelectronic devices and spintronics. Because of their unique properties …
materials in optoelectronic devices and spintronics. Because of their unique properties …
Structural stability, optoelectronic, thermoelectric, and elastic characteristics of X2ScBiO6 (X= Mg, Ca, and Ba) double perovskites for energy harvesting: First …
Double perovskites have emerged as a potential new material for optoelectronic and
thermoelectric applications. We explored structural, electronic, optical, thermoelectric, and …
thermoelectric applications. We explored structural, electronic, optical, thermoelectric, and …