Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A= K, Rb and Fr)
Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
Efficient hydrogen storage in KCaF3 using GGA and HSE approach
Being a renewable and sustainable energy carrier, hydrogen energy has garnered great
interest having some technical barriers related to storage aspects. Hydride materials exhibit …
interest having some technical barriers related to storage aspects. Hydride materials exhibit …
A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (BGe, Sn, Pb, Zn, Cd, Hg, Mg, Ca, Sr, Ba)
RK Pingak - Computational Condensed Matter, 2022 - Elsevier
This study aims to use Density Functional Theory (DFT) to investigate structural and
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
Investigation SrLiF3-xHx perovskites through ion replacement mechanism for advance solid hydrogen storage systems: A prediction through DFT-based calculations
A Manzoor, MA Ullah, MW Yasin, SSA Gillani… - Journal of Energy …, 2024 - Elsevier
The world is facing two major issues: global warming and diminishing non-renewable
energy resources. To overcome these issues, the scientific community is paying more …
energy resources. To overcome these issues, the scientific community is paying more …
A lead-free environment-friendly material for optoelectronic and photocatalytic applications: A computational approach
The structural, optoelectronic, and photocatalytic properties of KCaF 3-x Br x, where x
indicates Br concentration (x= 0, 0.6, 1.2, 1.8, 2.4, 3.0), are described here using density …
indicates Br concentration (x= 0, 0.6, 1.2, 1.8, 2.4, 3.0), are described here using density …
A molecular route to fluoro-perovskite materials: synthesis of CsCaF3 films through a sol–gel/spin-coating process
AL Pellegrino, F Lo Presti, G Malandrino - Discover Materials, 2022 - Springer
Fluoride perovskites have recently attracted great attention due to their unique optical
properties. The present study reports for the first time the fabrication of fluoride-based …
properties. The present study reports for the first time the fabrication of fluoride-based …
Characterization of a thermally stable red-light-emitting phosphor: synthesis, photoluminescence, and thermoluminescence studies of CsCaF3 compound doped with …
N Hema, B Chandrasekaran… - Journal of Information …, 2024 - Taylor & Francis
In this investigation, we focused on the synthesis and characterization of CsCaF3 compound
doped with europium (Eu3+) ions using a solid-state route. To analyze the crystal structure …
doped with europium (Eu3+) ions using a solid-state route. To analyze the crystal structure …
Forecasting optical response in lieu of electronic properties of TlCaF3 via halogen substitution for UV filtration: a DFT perspective
It is demonstrated that the substitution of Cl, B, and I at different concentrations in TlCaF3
significantly alters the phase, electronic band structure and optical, elastic, mechanical and …
significantly alters the phase, electronic band structure and optical, elastic, mechanical and …
[PDF][PDF] Discover Materials
AL Pellegrino, FL Presti, G Malandrino - 2022 - academia.edu
Fluoride perovskites have recently attracted great attention due to their unique optical
properties. The present study reports for the first time the fabrication of fluoride-based …
properties. The present study reports for the first time the fabrication of fluoride-based …