Browsing SINTEF Industri by Journals "Physical Chemistry, Chemical Physics - PCCP"
Now showing items 1-3 of 3
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Influence of Ce3+ polarons on grain boundary space-charge in proton conducting Y-doped BaCeO3
(Peer reviewed; Journal article, 2018)Defect segregation and space-charge formation were investigated for a (0 2 1)[1 0 0] symmetric tilt grain boundary in Y-doped BaCeO3. Density functional theory calculations according to the PBE+U formalism were used to ... -
Structure, electrical conductivity and oxygen transport properties of perovskite-type oxides CaMn1−x−yTixFeyO3−δ
(Journal article; Peer reviewed, 2019)Calcium manganite-based perovskite-type oxides hold promise for application in chemical looping combustion processes and oxygen transport membranes. In this study, we have investigated the structure, electrical conductivity ... -
Vacancy diffusion in palladium hydrides
(Peer reviewed; Journal article, 2021)The self-diffusion coefficients of palladium in PdHx (x = 0, 0.25, 0.5, 0.75, 1) were studied using density functional theory to obtain the required thermodynamic and kinetic parameters. The enthalpy of migration decreased ...