Optical, Photocatalytic, Electrochemical, Magnetic, Dielectric, and Ferroelectric Properties of Cd- and Er-Doped BiFeO3 Prepared via a Facile Microemulsion Route

Z Nazeer, I Bibi, F Majid, S Kamal, MI Arshad… - ACS …, 2023 - ACS Publications
A series of Cd-and Er-doped bismuth ferrites were synthesized using a simple
microemulsion technique. The influence of Cd and Er do** on the structural, ferroelectric …

Computational study of half-metallic behavior, optoelectronic and thermoelectric properties of new XAlN3 (X= K, rb, cs) perovskite materials

AH Ati, AA Kadhim, AA Abdulhussain, WA Abed… - Journal of Physics and …, 2024 - Elsevier
In this study, we systematically explored the properties of novel perovskite materials, XAlN 3
(X= K, Rb, and Cs), based on first-principles calculations and semiclassical Boltzmann …

Detail computational study about the structural, electronic, optical, and mechanical properties of RbVX 3 (Cl, Br, I) halide perovskite materials

NU Khan, J Iqbal, A Algahtani, JY Al-Humaidi, V Tirth… - RSC …, 2023 - pubs.rsc.org
The non-toxic nature of lead-free materials with cubic perovskite structure has attracted the
researcher's attention, and huge work is ongoing for the search of such materials …

Exploration of lead-free novel double perovskite halides Na2TlBiX6 (X= Cl, Br, I) for flexible memory devices: Using DFT approach

IA Shah, M Imran, F Hussain, U Rasheed… - Materials Chemistry and …, 2024 - Elsevier
Flexible resistive switching random access memory (RRAM) devices have drawn significant
attention due to their low power consumption, high speed and simple structure. Halide …

Exploring the structural, opto-electronics and elastic properties of fluoro-perovskites KXF3 (X= Ir, Rh): A first-principles study

A Algahtani, NU Khan, J Iqbal, V Tirth… - Inorganic Chemistry …, 2023 - Elsevier
The present study contains the information about the spin polarization, structural, optical and
mechanical behavior of KXF 3 (X= Ir, Rh) compounds, which were ascertained using method …

High thermoelectric and opto-electronic properties of Ba3NX3 (X= F, Cl) perovskite: Insights from DFT computation

AM Alsuhaibani, F Rehman, M Liaqat… - Radiation Physics and …, 2024 - Elsevier
Researchers are working for discovering smart and efficient materials to cope with energy
crises. Amongst them, Perovskite are explored extensively by researchers owing to their role …

First-principles calculations to investigate structural, electronic, mechanical, optical and thermoelectric properties of Sr-based fluoride perovskites SrXF3 (X= Nb, Ti, Zr)

JY Al-Humaidi, J Iqbal, NU Khan, S Abdullaev… - Materials Science in …, 2024 - Elsevier
In the present study, we elaborated a group of SrXF 3 (ie, SrNbF 3, SrTiF 3 and SrZrF 3)
fluoride materials using the computational approach and calculated their structural …

Electronic Structural, Optical and Elastic Properties of K-Based Lead-Free Perovskites KXF3 (X = Nb, Ti, Zr) via DFT Computational Approach

JY Al-Humaidi, Abdullah, Amina, J Akhtar… - Journal of Inorganic and …, 2024 - Springer
Perovskites are considered emerging materials for use in solar cells and thermoelectric
generators and renewable energy due to their high stability, lack of lead content …

First-Principles Insights into Structural, Optoelectronic, and Elastic Properties of Fluoro-Perovskites KXF3 (X = Ru, Os)

JY Al-Humaidi, J Iqbal, Abdullah, NU Khan… - ACS …, 2023 - ACS Publications
The need for new and better semiconductor materials for use in renewable energy devices
motivates us to study KRuF3 and KOsF3 fluoride materials. In the present work, we …

[HTML][HTML] Structural, electronic, magnetic, optical and thermoelectric properties of ferromagnetic double perovskites K2ScCoX6 (X= F, Cl): A first-principles study

V Tirth, M Kamran, SH Alrefaee, AM Quraishi… - Case Studies in Thermal …, 2024 - Elsevier
To identify a promising alternative to lead-based materials for solar cell application, we
investigated the different physical properties of K 2 ScCoX 6 (X= F, Cl) perovskites. Both …