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A DFT investigation of lead-free TlSnX 3 (X= Cl, Br, or I) perovskites for potential applications in solar cells and thermoelectric devices
In the present study, the Density Functional Theory (DFT) was employed to computationally
investigate the potential application of newly developed lead-free perovskites with the …
investigate the potential application of newly developed lead-free perovskites with the …
Refractive indices of semiconductors from energy gaps
SK Tripathy - Optical materials, 2015 - Elsevier
An empirical relation based on energy gap and refractive index data has been proposed in
the present study to calculate the refractive index of semiconductors. The proposed model is …
the present study to calculate the refractive index of semiconductors. The proposed model is …
Structural, electronic, elastic, and optical properties of cubic BaLiX 3 (X= F, Cl, Br, or I) perovskites: an ab-initio DFT study
This study reports for the first time the theoretical prediction of structural, electronic, elastic
and optical properties of cubic BaLiCl 3, BaLiBr 3, and BaLiI 3 perovskites. The …
and optical properties of cubic BaLiCl 3, BaLiBr 3, and BaLiI 3 perovskites. The …
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 …
Electrical and optical properties of a lead-free complex double perovskite BaNaFeMoO6: photovoltaic and thermistor applications
In this communication, synthesis (solid-state reaction) and characterizations of a complex
double perovskite BaNaFeMoO 6 are reported. X-ray diffraction analysis (structure and …
double perovskite BaNaFeMoO 6 are reported. X-ray diffraction analysis (structure and …
[HTML][HTML] Enhancement of the structure, thermal, linear/nonlinear optical properties, and antibacterial activity of poly (vinyl alcohol)/chitosan/ZnO nanocomposites for …
EM Abdelfattah, H Elzanaty, WB Elsharkawy… - Polymers, 2023 - mdpi.com
The preparation of poly (vinyl alcohol)/chitosan/ZnO (PVA/Cs/ZnO) nanocomposite films as
bioactive nanocomposites was implemented through an environmentally friendly approach …
bioactive nanocomposites was implemented through an environmentally friendly approach …
Investigation of the Structural, Nonlinear/Linear Optical Parameters, and Dielectric Behavior of PVA/PVP/Mn3O4 Nanocomposite
Abstract Mn3O4 (MO) nanoparticles have drawn a lot of attention due to their use in
batteries, ion exchange, sensors, and catalysts in various oxidation states. Here, prior to …
batteries, ion exchange, sensors, and catalysts in various oxidation states. Here, prior to …
A Machine Learning‐Assisted Approach to a Rapid and Reliable Screening for Mechanically Stable Perovskite‐Based Materials
The present work is designed to discover new perovskite‐based materials, which are
expected to show high mechanical stability during their applications, using machine learning …
expected to show high mechanical stability during their applications, using machine learning …
[HTML][HTML] Study of Tl-based perovskite materials TlZX3 (Z= Ge, Sn, Be, Sr; X= Cl, Br, I) for application in scintillators: DFT and TD-DFT approach
Scintillators are designed significantly for utilization in a broad range of technology fields,
notably nuclear physics, healthcare testing, and materials analysis. A number of applications …
notably nuclear physics, healthcare testing, and materials analysis. A number of applications …
Optimization of photonic nanojets generated by multilayer microcylinders with a genetic algorithm
We employ a genetic algorithm coupled with Mie theory to optimize the magnetic field
intensity profile of photonic nanojets (PNJs) generated by multilayer microcylinders at visible …
intensity profile of photonic nanojets (PNJs) generated by multilayer microcylinders at visible …