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 …

Exploring properties of organometallic double perovskite (CH3NH3)2AgInCl6: A novel material for energy conversion devices

U Rani, PK Kamlesh, R Singh, T Kumar… - … Physics Letters B, 2024 - World Scientific
Distinct types of materials are being explored for usage in thermoelectric (TE) and
photovoltaic (PV) systems in order to alleviate the energy problem. In order to create …

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) …

Ab-initio calculations of structural, optoelectronic, thermoelectric, and thermodynamic properties of mixed-halide perovskites RbPbBr3− xIx (x= 0 to 3): applicable in …

M Rani, PK Kamlesh, S Kumawat, U Rani… - ECS Journal of Solid …, 2023 - iopscience.iop.org
In the present research work, we have examined the variations in the structural, electronic,
optical, thermoelectric, and thermodynamic properties of mixed halide perovskites, RbPbBr …

[HTML][HTML] Highly efficient and stable Ra2LaNbO6 double perovskite for energy conversion device applications

JK Bairwa, PK Kamlesh, U Rani, R Singh… - Materials Science for …, 2024 - Elsevier
Using first-principles calculations, in this piece of work, authors have investigated the
physical properties of Ra 2 LaNbO 6 double perovskite by employing the linearized …

Computational investigation of the fundamental physical properties of lead-free halide double perovskite Rb2NaCoX6 (X = Cl, Br, and I) materials: Potential …

S Kumari, U Rani, M Rani, R Singh… - … Physics Letters B, 2024 - World Scientific
We have undertaken an ab initio investigation of emerging metal lead-free halide double
perovskite materials for renewable energy applications using the WIEN2k simulation code …

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 …