Study of structural, electronic, magnetic, and optical properties of A2FeMnO6 (A= Ba, La) double perovskites, experimental and DFT analysis

SA Dar, G Murtaza, T Zelai, G Nazir, H Alkhaldi… - Colloids and Surfaces A …, 2023 - Elsevier
The electronic, magnetic, dielectric, and optical properties of double oxide perovskites A 2
FeMnO 6 (A= Ba, La) are studied for spintronic and energy applications by experimental and …

Defect graph neural networks for materials discovery in high-temperature clean-energy applications

MD Witman, A Goyal, T Ogitsu, AH McDaniel… - Nature Computational …, 2023 - nature.com
We present a graph neural network approach that fully automates the prediction of defect
formation enthalpies for any crystallographic site from the ideal crystal structure, without the …

Double adjustment of Ni and Co in CeO2/La2Ni2-xCoxO6 double perovskite type oxygen carriers for chemical loo** steam methane reforming

F Wang, S Chen, S Chen, J Du, L Duan… - Chemical Engineering …, 2023 - Elsevier
Chemical loo** steam methane reforming (CL-SMR) is a clean and efficient technology for
the co-production of syngas and hydrogen. In this work, a series of Ni and Co doped CeO …

Exploring Novel Ba2MBiO6 (M = Sm, Tb) Oxide Double Perovskites Employing DFT

N Sfina, N Rahman, S Belhachi, M Husain… - Journal of Inorganic and …, 2024 - Springer
In the present work, we investigate the structural, elastic, optical, and electronic properties of
Ba2MBiO6 (M= Sm, Tb) oxide double perovskites, using Density Functional Theory within …

Energy storage properties of double perovskites Gd2NiMnO6 for electrochemical supercapacitor application

A Kumar, A Kumar, A Kumar - Solid State Sciences, 2020 - Elsevier
The present work reports the energy storage behavior of double perovskite Gd 2 NiMnO 6
synthesized via facile wet chemical route. The XRD pattern revealed the formation of the …

Studies of structural, dielectric relaxor and electrical characteristics of lead-free double Perovskite: Gd2NiMnO6

R Das, RNP Choudhary - Solid State Sciences, 2019 - Elsevier
In the current communication, structural, microstructural, dielectric, relaxor, impedance, AC
conductivity, and electrical modulus characteristics of double perovskite Gd 2 NiMnO 6 …

Structural, magnetic, elastic, and thermoelectric properties of Ba2InOsO6 double perovskite in the cubic phase: A DFT+ U study with spin-orbit-coupling

L Benahmedi, A Besbes, R Djelti - Journal of Magnetism and Magnetic …, 2024 - Elsevier
In this study, we comprehensively investigate the structural, electronic, magnetic, elastic, and
thermal properties of the double perovskite Ba 2 InOsO 6 using density functional theory …

Synthesis, magnetic properties, and electrochemical evaluation of La2NiMnO6 double perovskite as electrode materials for supercapacitor applications

A Shereef, J Kunjumon, AK Jose, M Tomy, W Akram… - Ceramics …, 2024 - Elsevier
Perovskite oxides have attracted significant attention in energy storage performances,
because of its eccentric physical and chemical features. Herein, we aim to study the …

Conventional synthesis and characterization of cubically ordered La2FeMnO6 double perovskite compound

M Dhilip, NA Devi, JS Punitha, V Anbarasu, KS Kumar - Vacuum, 2019 - Elsevier
The cubically ordered double perovskite compound, La 2 FeMnO 6, has been synthesized
using high temperature solid-state reaction method. Rietveld refinement of powder X-ray …

Facile wet chemical synthesis and electrochemical behavior of La2FeCoO6 nano-crystallites

J Singh, A Kumar - Materials Science in Semiconductor Processing, 2019 - Elsevier
The present work reports electrochemical behavior of La 2 FeCoO 6 nano-crystallites
synthesized via facile wet chemical sol-gel synthesis process. The X-ray diffraction pattern …