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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 …
the basis of the first-principles calculations, the hydrogen storage, mechanical, electronic …
Crafting the multiferroic BiFeO3-CoFe2O4 nanocomposite for next-generation devices: A review
ABSTRACT BiFeO3-CoFe2O4 (BFO-CFO) vertically aligned nanocomposite (VAN) thin-film
promises great potentials for next-generation electronic devices. Its strong magnetoelectric …
promises great potentials for next-generation electronic devices. Its strong magnetoelectric …
X2CoH5 (X= Ca, Sr) for hydrogen storage: First-principles computations
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 …
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
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 …
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
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 …
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 …
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 …
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
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 …
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 …
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 …
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
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 …
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
Spinel ferrites exhibit significant promise in photocatalysis and other applications due to
their compositional diversity and favourable electronic structure, magnetism, and partially …
their compositional diversity and favourable electronic structure, magnetism, and partially …