Undoped Sr2MMoO6 Double Perovskite Molybdates (M = Ni, Mg, Fe) as Promising Anode Materials for Solid Oxide Fuel Cells
The chemical design of new functional materials for solid oxide fuel cells (SOFCs) is of great
interest as a means for overcoming the disadvantages of traditional materials. Redox …
interest as a means for overcoming the disadvantages of traditional materials. Redox …
A first-principles study of the electronic, mechanical, vibrational, and optical properties of the zirconium carbide under high pressure
Zirconium carbide is a compound widely used in cutting tools, nuclear reactors, field emitter
arrays and solar energy receivers; additionally, combined with other materials, it can be …
arrays and solar energy receivers; additionally, combined with other materials, it can be …
DFT Electronic Properties and Synthesis Thermodynamics of Li x La1− x TiO3 Electrolytes for Li-Ion Batteries
Lithium lanthanum titanate perovskites Li x La 1− x TiO 3 (LLTO) are promising solid-
electrolytes for Li-ion batteries. We studied, in the Density-Functional-Theory framework, the …
electrolytes for Li-ion batteries. We studied, in the Density-Functional-Theory framework, the …
First-principles study of the effect of pressure on the physical properties of PbC
Silicon carbide has been used as a cutting material and as a semiconductor in lighting and
power electronics. Results from some studies, carried out on IV-IV group carbides like GeC …
power electronics. Results from some studies, carried out on IV-IV group carbides like GeC …
Theoretical study on the structural, electronic, mechanical, vibrational, thermodynamical, and optical properties of the two-dimensional PbC nanomaterials
Two-dimensional structures have attracted attention for application in nanoelectronics and
optical devices; then, in this work, we are reporting the predicted physical properties (from …
optical devices; then, in this work, we are reporting the predicted physical properties (from …
LDA+ U study of hydrostatic pressure effect on double perovskite Sr2FeNbO6: crystal structure, mechanical and electronic properties
To study the effect of the applied hydrostatic pressure on the crystal structure and the
electronic and mechanical properties of the Sr 2 FeNbO 6 compound, computational …
electronic and mechanical properties of the Sr 2 FeNbO 6 compound, computational …
Theoretical study of Sr2Fe1–xNb1+ xO6 system: Electronic and magnetic properties and crystal structure
Perovskite-type compounds have been widely studied due to their multiple properties, such
as high mechanical resistance, mixed ionic and electronic conductivity and photocatalytic …
as high mechanical resistance, mixed ionic and electronic conductivity and photocatalytic …
Crystal structure, Mössbauer and X-ray photoelectron spectroscopies, and magnetic properties of Sr2FeMo1-xNbxO6 compounds
A systematic experimental study of the crystal structure, Mössbauer and X-ray photoelectron
spectroscopies as well as magnetic measurements were carried out to study the effect of Mo …
spectroscopies as well as magnetic measurements were carried out to study the effect of Mo …