First-principles investigation for the hydrogen storage, mechanical, electronic, optical, dynamic, and thermodynamic properties of XMnH3 (X= Na, K, Rb) perovskites …

R Song, N Xu, Y Chen, S Chen, W Dai, W Zhang - Vacuum, 2024 - Elsevier
The perovskite-type hydrides are potential candidate materials for the hydrogen storage. On
the basis of the first-principles calculations, the hydrogen storage, mechanical, electronic …

Crafting the multiferroic BiFeO3-CoFe2O4 nanocomposite for next-generation devices: A review

T Amrillah, A Hermawan, CP Wulandari… - Materials and …, 2021 - Taylor & Francis
ABSTRACT BiFeO3-CoFe2O4 (BFO-CFO) vertically aligned nanocomposite (VAN) thin-film
promises great potentials for next-generation electronic devices. Its strong magnetoelectric …

X2CoH5 (X= Ca, Sr) for hydrogen storage: First-principles computations

S Bahhar, A Jabar, A Tahiri, R Moubah, M Idiri… - International Journal of …, 2024 - Elsevier
The structural, electronic, elastic, optical, phonon, and thermo-physical properties of the
tetragonal X 2 CoH 5 (X= Ca, Sr) hydrogen storage compounds were thoroughly examined …

Mechanisms of the Oxygen Evolution Reaction on NiFe2O4 and CoFe2O4 Inverse-Spinel Oxides

ON Avcı, L Sementa, A Fortunelli - ACS catalysis, 2022 - ACS Publications
Spinel ferrites, especially Nickel ferrite, NiFe2O4, and Cobalt ferrite, CoFe2O4, are efficient
and promising anode catalyst materials in the field of electrochemical water splitting. Using …

Structural, phonon, thermodynamic, and electronic properties of MgFeH3 at different pressures: DFT study

HH Raza, G Murtaza, M Shafiq - Computational and Theoretical Chemistry, 2023 - Elsevier
The main objective of this work is to improve the kinetic properties and desorption
temperature of MgFeH 3 by applying different pressures with the help of the WIEN2k code …

Ab initio study of the structural, mechanical, optoelectronic and thermo-physical properties of XGaH5 (X= Ba, Ca, and Mg) compounds for hydrogen storage …

Ç Yamçıçıer, C Kürkçü - International Journal of Hydrogen Energy, 2024 - Elsevier
The structural, mechanical, optical, thermo-physical, and electronic properties of the
monoclinic XGaH 5 (X= Ba, Ca, and Mg) used as hydrogen storage material were …

Magnetic, optoelectronic, and rietveld refined structural properties of Al3+ substituted nanocrystalline Ni-Cu spinel ferrites: An experimental and DFT based study

N Hasan, SS Nishat, S Sadman, MR Shaown… - Journal of Magnetism …, 2023 - Elsevier
Abstract The nanocrystalline Ni 0.7 Cu 0.3 Al x Fe 2-x O 4 (x= 0.00: 0.02: 0.10) are prepared
through the sol–gel auto combustion route. The structural, surface morphology, magnetic …

A comparative DFT study of MgFe2O4 and MnFe2O4 spinel ferrites at various pressures to investigate the structural, mechanical, electronic, magnetic and optical …

S Akhtar, A Hussain, S Noreen, N Bibi, MB Tahir… - Computational and …, 2024 - Elsevier
The structural, electronic, mechanical, optical, and magnetic properties of the MgFe 2 O 4
and MnFe 2 O 4 ferrites were investigated under pressures ranging from 0 to 20 GPa using …

Spinel Ferrites (CoFe2O4): Synthesis, Magnetic Properties, and Electromagnetic Generator for Vibration Energy Harvesting

Y Oh, M Sahu, S Hajra, AM Padhan, S Panda… - Journal of Electronic …, 2022 - Springer
Cobalt ferrite bearing the chemical formula of CoFe2O4 was synthesized by a high-
temperature solid-state reaction. The Rietveld refinement of the experimental XRD data …

Spinel ferrites MFe 2 O 4 (M= Co, Cu, Zn) for photocatalysis: theoretical and experimental insights

CA Hall, P Ferrer, DC Grinter, S Kumar… - Journal of Materials …, 2024 - pubs.rsc.org
Spinel ferrites exhibit significant promise in photocatalysis and other applications due to
their compositional diversity and favourable electronic structure, magnetism, and partially …