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

RK Pingak, 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 …

First-principles calculations to investigate optoelectronic, thermoelectric and elastic properties of novel lead-free halide perovskites CsRbPtX6 (X= Cl, Br and I) …

A Harbi, S Bouhmaidi, RK Pingak, L Setti… - Physica B: Condensed …, 2023 - Elsevier
The tunability and stability of halide perovskites have made them promising for a large
number of applications. In this study, the optoelectronic and thermoelectric properties of …

Lead-free perovskites InSnX3 (X= Cl, Br, I) for solar cell applications: a DFT study on the mechanical, optoelectronic, and thermoelectric properties

RK Pingak, A Harbi, M Moutaabbid… - Materials Research …, 2023 - iopscience.iop.org
This study aims to explore for the first time the mechanical, electronic, optical and
thermoelectric properties of cubic lead-free perovskites InSnBr 3 and InSnI 3 to investigate …

Computational study of structural, thermoelectric, elastic and optoelectronic properties of new halide perovskites CsRbTeX6 (X= I, Br and Cl) for solar cell applications

A Harbi, A Aziz, M Moutaabbid - Inorganic Chemistry Communications, 2023 - Elsevier
Recently the lead-free halide perovskites materials have attracted considerable attention
due to their nontoxic nature and outstanding performances. In this work, using density …

Synthesis, Characterization, and Magnetocaloric Properties of Double Perovskite BaSrNiMoO6 for Magnetic Refrigeration Applications

A Harbi, A Azouaoui, Y Toual, A Hourmatallah… - … of Superconductivity and …, 2023 - Springer
Double perovskites with the general formula A2BB′ O6 have been the subject of several
studies for of their magnetic properties. In this work, Ba2NiMoO6 was synthesized using the …

Study of excitonic effects, 3D-elastic, optoelectronic and thermoelectric properties of new inorganic double perovskites CsKAgSbX6 (X = Cl, Br) for solar cell …

A Harbi, A Aziz, RK Pingak, Y Toual… - Journal of Materials …, 2024 - Springer
Novel halide double perovskites CsKAgSbX6 (X= Cl, Br) have been theoretically
investigated in the current study to determine their optoelectronic, elastic, and thermoelectric …

Optoelectronic, thermoelectric and 3D-Elastic properties of lead-free inorganic perovskites CsInZrX6 (I, Cl and Br) for optoelectronic and thermoelectric applications

A Harbi, RK Pingak, M Moutaabbid - Physica Scripta, 2024 - iopscience.iop.org
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 …

First-Principles Investigation of Structural, Elastic, Thermoelectric, Electronic, and Optical Properties of Ordered Double Perovskite Ba2MWO6 (M = Mg, Zn, and Cd)

A Harbi, M Moutaabbid - Journal of Superconductivity and Novel …, 2022 - Springer
In the present paper, using density-functional theory (DFT), the double perovskites
Ba2MWO6 (M= Cd, Zn, Mg) have been investigated in terms of their structural, electronic …

Low temperature magnetic and structural properties of Sr-doped La2CoMnO6 (La2-xSrxCoMnO6: 0≤ x≤ 0.08) double perovskite nanoparticles

S Jharwal, A Gupta, M Kar, A Kumar - Journal of Magnetism and Magnetic …, 2023 - Elsevier
A study on crystal structure and physical properties has been performed on nanoparticles of
lead-free double perovskites, La 2 CoMnO 6 (LCMO) and Sr-doped La 2-x Sr x CoMnO 6 …

Mn-Substitution Effects on the Magnetic and Zero-Field Ferromagnetic Resonance Properties of ε-Fe 2 O 3 Nanoparticles

JG MacDougall, A Namai, O Strolka, S Ohkoshi - Materials Advances, 2025 - pubs.rsc.org
Metal substitution is important way to tune the magnetic properties of ferrites. In the present
study, to investigate the effects of Mn substitution on the magnetic properties and millimeter …