Unraveling lead-free Fr-based perovskites FrQCl3 (Q= Ca, Sr) and their pressure induced physical properties: DFT analysis for advancing optoelectronic performance
A comprehensive study of structural, electronic, elastic, and optical properties of the cubic
FrQCl 3 (Q= Ca, Sr) perovskite under pressure 0− 105 GPa has been considered …
FrQCl 3 (Q= Ca, Sr) perovskite under pressure 0− 105 GPa has been considered …
Optoelectronic, thermoelectric and 3D-Elastic properties of lead-free inorganic perovskites CsInZrX6 (I, Cl and Br) for optoelectronic and thermoelectric applications
Halide perovskite materials have recently gained worldwide attention since they offer a new
cost-effective way to generate renewable and green energy. In the current work, the …
cost-effective way to generate renewable and green energy. In the current work, the …
Vacancy-ordered CsRbGeCl6 and CsRbGeBr6 perovskites as new promising non-toxic materials for photovoltaic applications: A DFT investigation
In this study, we have proposed novel vacancy-ordered double perovskites, CsRbGeCl 6
and CsRbGeBr 6, and conducted computational analyses to investigate their mechanical …
and CsRbGeBr 6, and conducted computational analyses to investigate their mechanical …
Insights on structural, elastic, electronic and optical properties under pressure of Cs-Based Fluoroperovskite CsMF3 (M= Ge, Sn, and Pb) compounds.
R Slimani, A Benmakhlouf, A Bentabet… - Computational …, 2024 - Elsevier
This paper examines the structural, elastic electronic, and optical properties of perovskites
under pressure using density functional theory. The elastic constants for, and at zero …
under pressure using density functional theory. The elastic constants for, and at zero …
Novel vacancy-ordered RbKGeCl6 and RbKGeBr6 double perovskites for optoelectronic and thermoelectric applications: an ab-initio DFT study
The present study examines the key characteristics of new vacancy-ordered halide double
perovskites, RbKGeCl 6 and RbKGeBr 6, encompassing the elastic, structural, mechanical …
perovskites, RbKGeCl 6 and RbKGeBr 6, encompassing the elastic, structural, mechanical …
Novel KXBr3 (X= Ca, Sr, Ba) Lead-free Halide Perovskites for Optoelectronic Applications: A DFT Investigation of Mechanical and Optoelectronic Properties
The present study proposes novel KXBr 3 (X= Ca, Sr, Ba) perovskites as promising materials
for applications in various optoelectronic devices. The structural, mechanical and …
for applications in various optoelectronic devices. The structural, mechanical and …
Band gap shifting of halide perovskite KSrCl3 from ultra-violet to visible region under pressure for photovoltaic applications
This research delves into the influence of hydrostatic pressure on the structural, electronic,
and optical characteristics of the cubic halide perovskite KSrCl 3. The reduction in …
and optical characteristics of the cubic halide perovskite KSrCl 3. The reduction in …
[HTML][HTML] Pressure-driven semiconducting to metallic transition in francium tin trihalides perovskite with improved optoelectronic performance: A DFT study
The objective of our study was to analyze the mechanical, magnetic, elastic, electrical, and
optical characteristics of the halide-based perovskite FrSnX 3 (X= Cl, Br, and I) at hydrostatic …
optical characteristics of the halide-based perovskite FrSnX 3 (X= Cl, Br, and I) at hydrostatic …
The Structural, Magnetic, Optoelectronic, and Mechanical Characteristics of NaGeX3 Perovskites Under Pressure for Soler-Cell Applications
This study examines the physical properties of germanium-based halide perovskite through
Density Functional Theory (DFT) computations. The physical, optical, mechanical, and …
Density Functional Theory (DFT) computations. The physical, optical, mechanical, and …
DFT Insights into the Structural, Mechanical, Electronic and Optical Properties of Novel InZnCl 3 and InCdCl 3 Chloro-Perovskites
The ABX 3 perovskite materials have recently emerged as one of the most promising
materials for optoelectronic applications. In the present study, novel perovskites in the form …
materials for optoelectronic applications. In the present study, novel perovskites in the form …