Machine learning lattice constants from ionic radii and electronegativities for cubic perovskite $$A_{2}XY_{6}$$ compounds
Sign Up to like & getrecommendations! Published in 2020 at "Physics and Chemistry of Minerals"
DOI: 10.1007/s00269-020-01108-4
Abstract: Metal halide perovskites have attracted great attention in the past decade due to unique and tunable optical and electrical properties, which are promising candidates for various applications such as solar cells, light-emitting diodes, and laser… read more here.
Keywords: perovskite compounds; radii electronegativities; lattice constants; ionic radii ... See more keywords
Study on Ce and Y co-doped BaFeO3-δ cubic perovskite as free-cobalt cathode for proton-conducting solid oxide fuel cells
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2021.04.188
Abstract: Abstract The use of triple-conducting (electron, proton, oxide ion) cathodes is an effective strategy for significantly decreasing cathode polarization of proton-conducting SOFCs. In this study, a new triple-conducting BaFe0.8Ce0.1Y0.1O3-δ (BFCY) perovskite cathode is prepared by… read more here.
Keywords: cobalt; proton conducting; proton; cathode ... See more keywords
Investigation on the phase stability of cubic perovskite BaCo0.7Fe0.2Nb0.1O3-δ oxygen-permeable membrane
Sign Up to like & getrecommendations! Published in 2018 at "Journal of the European Ceramic Society"
DOI: 10.1016/j.jeurceramsoc.2018.08.016
Abstract: Abstract The phase stability of the cubic perovskite-type oxide BaCo0.7Fe0.2Nb0.1O3−δ (BCFNO) has been examined by means of X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). And, the timescale on the second… read more here.
Keywords: phase; stability cubic; microscopy; phase stability ... See more keywords
Opto-electronic, magnetic, thermodynamic and thermoelectric properties of cubic perovskite SrMnO3: A first principle based spin polarized calculation
Sign Up to like & getrecommendations! Published in 2021 at "Solid State Communications"
DOI: 10.1016/j.ssc.2020.114139
Abstract: Abstract Density functional theory (DFT) calculations have been made on cubic perovskite compound, SrMnO3 to investigate electronic, magnetic, optical and thermodynamic properties. The transport properties have also been calculated with BoltzTrap code. The analysis of… read more here.
Keywords: srmno3; compound; electronic magnetic; opto electronic ... See more keywords
Half-metallic ferromagnetism in cubic perovskite type NdInO3
Sign Up to like & getrecommendations! Published in 2020 at "Philosophical Magazine"
DOI: 10.1080/14786435.2020.1778203
Abstract: ABSTRACT Based on the full-potential linearised augmented plane wave plus local orbitals (FP-L/APW + lo) method within the density functional theory (DFT), the structural, electronic, and magnetic calculations of the cubic oxide perovskite NdInO3 compound have been… read more here.
Keywords: half metallic; ferromagnetism cubic; perovskite type; type ndino3 ... See more keywords
Defects in Statically Unstable Solids: The Case for Cubic Perovskite α-CsPbI3
Sign Up to like & getrecommendations! Published in 2022 at "Chinese Physics Letters"
DOI: 10.1088/0256-307x/39/4/046101
Abstract: High-temperature phases of solids are often dynamically stable only. First-principles study of point defects in such solids at 0 K is prohibited by their static instability, which results in random structures of the defect-containing supercell… read more here.
Keywords: statically unstable; perovskite cspbi3; unstable solids; defects statically ... See more keywords