A DFT investigation of lead-free TlSnX 3 (X= Cl, Br, or I) perovskites for potential applications in solar cells and thermoelectric devices

RK **ak, S Bouhmaidi, A Harbi, L Setti, F Nitti… - RSC …, 2023 - pubs.rsc.org
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 …

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 …

Structural, electronic, elastic, and optical properties of cubic BaLiX 3 (X= F, Cl, Br, or I) perovskites: an ab-initio DFT study

RK **ak, S Bouhmaidi, L Setti… - Indonesian Journal of …, 2023 - journal.ugm.ac.id
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 …

Novel KXBr3 (X= Ca, Sr, Ba) lead-free halide perovskites for optoelectronic applications: a DFT investigation of mechanical and optoelectronic properties

RK **ak, ZS Ngara, AZ Johannes, M Bukit… - Computational …, 2024 - Elsevier
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 …

Electrical and optical properties of a lead-free complex double perovskite BaNaFeMoO6: photovoltaic and thermistor applications

S Mishra, SK Parida - Materials Science and Engineering: B, 2023 - Elsevier
In this communication, synthesis (solid-state reaction) and characterizations of a complex
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 …

Investigation of the Structural, Nonlinear/Linear Optical Parameters, and Dielectric Behavior of PVA/PVP/Mn3O4 Nanocomposite

I Morad, HE Ali, Y Khairy, H Algarni, KF Qasim… - Journal of Inorganic and …, 2023 - Springer
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 …

A Machine Learning‐Assisted Approach to a Rapid and Reliable Screening for Mechanically Stable Perovskite‐Based Materials

R Jaafreh, A Sharan, M Sajjad… - Advanced Functional …, 2023 - Wiley Online Library
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 …

[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

P Sharma, P Ranjan, T Chakraborty - Chemical Physics Impact, 2023 - Elsevier
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 …

Optimization of photonic nanojets generated by multilayer microcylinders with a genetic algorithm

Y Huang, Z Zhen, Y Shen, C Min, G Veronis - Optics express, 2019 - opg.optica.org
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 …