A theoretical investigation of the lead‐free double perovskites halides Rb2XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications

S Al‐Qaisi, AM Mebed, M Mushtaq… - Journal of …, 2023 - Wiley Online Library
In this study, structural, electronic, optical, thermoelectric, and thermodynamics properties of
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 …

J Munir, I Mursaleen, HM Ghaithan, Q ul Ain… - Materials Science and …, 2023 - Elsevier
Double perovskites with their significance properties are considered to be promising
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

S Kumari, PK Kamlesh, L Kumari, S Kumar… - Journal of Molecular …, 2023 - Springer
Context Herein, we have studied progressively novel metal lead-free halide double
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

M Rani, PK Kamlesh, S Kumawat, U Rani… - Physica B: Condensed …, 2024 - Elsevier
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) …

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

GL Menaria, U Rani, PK Kamlesh, R Singh… - … Physics Letters B, 2024 - World Scientific
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 …

Alkaline earth based antiperovskite AsPX3 (X= Mg, Ca, and Sr) materials for energy conversion efficient and thermoelectric applications

U Rani, PK Kamlesh, TK Joshi, S Sharma… - Physica …, 2023 - iopscience.iop.org
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 …

Thermoelectric performance of cadmium-based LiCdX (X= N, P, As, Sb and Bi)-filled tetrahedral semiconductors: applications in green energy resources

Pallavi, C Singh, PK Kamlesh, R Gupta, AS Verma - Pramana, 2023 - Springer
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 …

Electronic structure, theoretical power conversion efficiency, and thermoelectric properties of bismuth-based alkaline earth antiperovskites

U Rani, PK Kamlesh, TK Joshi, R Singh… - Journal of Molecular …, 2023 - Springer
Context This research paper investigates the properties and potential applications of
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

U Rani, PK Kamlesh, TK Joshi, R Singh… - Computational …, 2023 - Elsevier
With the exchange of ionic positions, antiperovskites (inverse perovskites) have maintained
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

N Pandit, R Singh, A Kumar, TK Joshi… - … Physics Letters B, 2024 - World Scientific
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 …