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Optical, Photocatalytic, Electrochemical, Magnetic, Dielectric, and Ferroelectric Properties of Cd- and Er-Doped BiFeO3 Prepared via a Facile Microemulsion Route
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 …
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
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 …
(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
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 …
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 …
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
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 …
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
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 …
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)
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 …
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 …
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)
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 …
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
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 …
investigated the different physical properties of K 2 ScCoX 6 (X= F, Cl) perovskites. Both …