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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 …
First-principles investigations of the mechanically and thermodynamically stable potassium-based double perovskites K2TlAsX6 (X= Cl, Br) for optoelectronic and …
Double perovskites with their significance properties are considered to be promising
candidates for an extensive range of applications. Current research work includes the …
candidates for an extensive range of applications. Current research work includes 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 …
Rare earth-based oxides double perovskites A2NiMnO6 (A= La and Gd): applications in magneto-caloric, photo-catalytic and thermoelectric devices
In this paper, we have conducted theoretical work on rare earth-based double perovskites
namely, La 2 NiMnO 6 and Gd 2 NiMnO 6, using generalized gradient approximation (GGA) …
namely, La 2 NiMnO 6 and Gd 2 NiMnO 6, using generalized gradient approximation (GGA) …
Electro-optic and transport properties with stability parameters of cubic KMgX (X = P, As, Sb, and Bi) half-Heusler materials: Appropriate for green energy applications
Due to their distinct characteristics and prospective uses in several disciplines, half-Heusler
(HH) materials are a family of intermetallic compounds that have garnered a lot of attention …
(HH) materials are a family of intermetallic compounds that have garnered a lot of attention …
Alkaline earth based antiperovskite AsPX3 (X= Mg, Ca, and Sr) materials for energy conversion efficient and thermoelectric applications
Antiperovskite were created by swap** ionic positions in the perovskite ABX 3 crystal
composition. These have great potential for renewable energy devices owing to their low …
composition. These have great potential for renewable energy devices owing to their low …
Thermoelectric performance of cadmium-based LiCdX (X= N, P, As, Sb and Bi)-filled tetrahedral semiconductors: applications in green energy resources
Half-Heusler materials have been studied on a large scale due to their high stability and
wide range of band gaps. Here, we have studied the fundamental physical and …
wide range of band gaps. Here, we have studied the fundamental physical and …
Electronic structure, theoretical power conversion efficiency, and thermoelectric properties of bismuth-based alkaline earth antiperovskites
Context This research paper investigates the properties and potential applications of
antiperovskite materials. Antiperovskites are a class of materials with a unique crystal …
antiperovskite materials. Antiperovskites are a class of materials with a unique crystal …
Computational investigation of inverse perovskite SbPX3 (X= Mg, Ca, and Sr) structured materials with applicability in green energy resources
With the exchange of ionic positions, antiperovskites (inverse perovskites) have maintained
the perovskite crystal structure. Inverse perovskites offer interesting photovoltaic applications …
the perovskite crystal structure. Inverse perovskites offer interesting photovoltaic applications …
Physical properties and power conversion efficiency of SrZrX3 (XS and Se) chalcogenide perovskite solar cell
The search for efficient substances in energy conversion devices, which are low-cost, highly
stable, and not hazardous to humanity has intensified among material scientists. Here, we …
stable, and not hazardous to humanity has intensified among material scientists. Here, we …