Dft-based nano architectonics: exploring structural, mechanical, and optoelectronic properties of halide double perovskites K2ScAgX6 (X= Cl, Br and I)
This report details a computational analysis of the various characteristics of newly
developed double perovskites (DPs) K 2 ScAgX 6 (where X= Br, Cl, and I), with an emphasis …
developed double perovskites (DPs) K 2 ScAgX 6 (where X= Br, Cl, and I), with an emphasis …
Investigation of structure, optoelectronic, and thermodynamic properties of gallium-based perovskites GaMF3 (M = Ca, and Cd) for solar cell applications
Using the full potential density functional theory (DFT), structural, electronic and optical
properties as well as thermodynamic attributes of GaMF3 (M= Ca and Cd) were studied. In …
properties as well as thermodynamic attributes of GaMF3 (M= Ca and Cd) were studied. In …
Uniaxial Strain Engineering of Electronic, Elastic and Optical Properties of Halide Double Perovskites K2NaTIX6 (X = I, Br, and Cl): A DFT Insight
The electronic and optical properties of lead-free halide double perovskites K2NaTIX6 (X=
Cl, Br, and I), with low toxicity and suitable stability, were studied using density functional …
Cl, Br, and I), with low toxicity and suitable stability, were studied using density functional …