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 …
Structural, mechanical and dynamical stabilities of K2NaMCl6 (M: Cr, Fe) halide perovskites along with electronic and thermal properties
D Abdullah, DC Gupta - Journal of Magnetism and Magnetic Materials, 2023 - Elsevier
The properties of K 2 NaMCl 6 (M: Cr, Fe) are simulated using density functional theory. The
exchange-correlation potential of halide perovskites is projected by generalized gradient …
exchange-correlation potential of halide perovskites is projected by generalized gradient …
Tuning of band gap by anion variation of double perovskites K2AgInX6 (X= Cl, Br) for solar cells and thermoelectric applications
In recent research double perovskites have become the burning topic for solar cells because
of lead free nature, stability, and exceptional performance. Therefore, here we have …
of lead free nature, stability, and exceptional performance. Therefore, here we have …
Study of optoelectronic, thermoelectric, mechanical properties of double perovskites Cs2AgAsX6 (X = cl, br, I) for solar cells and energy harvesting
The double perovskites (DPs) are potential materials to harvest energy from sun and waste
heat. Here we theoretically calculated the electronic and optical, and transport …
heat. Here we theoretically calculated the electronic and optical, and transport …
Tuning the Saturated Vapor Pressure of Solvothermal Synthesis to Boost the Thermoelectric Performance of Pristine Bi2Te3 Polycrystals by Anisotropy …
Bi2Te3 is one of the most promising thermoelectric materials that target near-room-
temperature applications due to its high thermoelectric potential at these temperatures. In …
temperature applications due to its high thermoelectric potential at these temperatures. In …
Understanding the structural, electro-magnetic, mechanical, thermal and transport properties of Strontium based perovskite (SrPrO3)
S Gautam, DC Gupta - Materials Research Express, 2023 - iopscience.iop.org
With the help of density functional theory, we have explored the structural, electro-magnetic,
mechanical, thermal and transport properties of SrPrO 3 perovskite. The optimization of …
mechanical, thermal and transport properties of SrPrO 3 perovskite. The optimization of …