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Enhancing CO2 catalytic activation and direct electroreduction on in-situ exsolved Fe/MnOx nanoparticles from (Pr, Ba) 2Mn2-yFeyO5+ δ layered perovskites for …
J Zhu, W Zhang, Y Li, W Yue, G Geng, B Yu - Applied Catalysis B …, 2020 - Elsevier
Perovskite-based oxides with exsolved nanoscale transition metal particles are promising
cathode materials for direct electrocatalytic reduction of CO 2 in the conversion from …
cathode materials for direct electrocatalytic reduction of CO 2 in the conversion from …
[HTML][HTML] First-principles calculation of the electronic and optical properties of Gd2FeCrO6 double perovskite: Effect of Hubbard U parameter
Abstract We have synthesized Gd 2 FeCrO 6 (GFCO) double perovskite which crystallized in
monoclinic structure with P2 1/n space group. The UV–visible and photoluminescence …
monoclinic structure with P2 1/n space group. The UV–visible and photoluminescence …
Symmetry breaking in Ge 1− x Mn x Te and the impact on thermoelectric transport
Germanium telluride is a high performing thermoelectric material that additionally serves as
a base for alloys such as GeTe–AgSbTe2 and GeTe–PbTe. Such performance motivates …
a base for alloys such as GeTe–AgSbTe2 and GeTe–PbTe. Such performance motivates …
Half-metallic ferromagnetism in PrMnO3 perovskite from first principles calculations
The structural, electronic and magnetic properties of the cubic praseodymium oxides
perovskites PrMnO 3 were calculated using the density functional theory (DFT) with both …
perovskites PrMnO 3 were calculated using the density functional theory (DFT) with both …
DFT analysis of mechanical, thermal, half-metallic, and thermoelectric properties of perovskites PrMnO3 and NdMnO3 ortho-manganite
In this study, we present a theoretical investigation of the structural, mechanical, thermal,
electronic, magnetic and thermoelectric properties of orthorhombic rare earth perovskites …
electronic, magnetic and thermoelectric properties of orthorhombic rare earth perovskites …
Room-temperature large magnetocaloric, electronic and magnetic properties in La0. 75Sr0. 25MnO3 manganite: Ab initio calculations and Monte Carlo simulations
By using the Ab initio and Monte Carlo calculations, we have studied the magnetism of the
crystalline La 0.75 Sr 0.25 MnO 3 perovskite. The ferromagnetic phase of La 0.75 Sr 0.25 …
crystalline La 0.75 Sr 0.25 MnO 3 perovskite. The ferromagnetic phase of La 0.75 Sr 0.25 …
Ab-initio study of optoelectronic and magnetic properties of the orthorhombic NdMnO3 perovskite
Using the full potential linear augmented plane wave (FPLAPW) method based on density
functional theory (DFT), we have studied the structural, electronic, optical and magnetic …
functional theory (DFT), we have studied the structural, electronic, optical and magnetic …
Magnetic, thermoelectric properties and magnetocaloric effect of Pr0.7Ba0.3MnO3 perovskite: experimental, DFT calculation and Monte Carlo simulations
The magnetic, electronic, structural, thermoelectric properties and magnetocaloric effect of
Pr0. 75Ba0. 25MnO3 perovskite using, experimental, DFT calculation and Monte Carlo …
Pr0. 75Ba0. 25MnO3 perovskite using, experimental, DFT calculation and Monte Carlo …
Electronic structure and magnetic properties of the perovskite cerium manganese oxide from ab initio calculations
We have performed first-principle calculations of the structural, electronic and magnetic
properties of cerium manganese oxide (CeMnO) 3, using full-potential linearized augmented …
properties of cerium manganese oxide (CeMnO) 3, using full-potential linearized augmented …
Accurate prediction of migration barrier of oxygen vacancy in and : Explaining experimental results with density functional theory
Resistive-switching-based memory is a popular research area for majorly neuromorphic,
nonvolatile memory design and in-memory computing. Pr 1− x Ca x MnO 3 [PCMO (x)] is …
nonvolatile memory design and in-memory computing. Pr 1− x Ca x MnO 3 [PCMO (x)] is …