• Influence of Ce3+ polarons on grain boundary space-charge in proton conducting Y-doped BaCeO3 

      Polfus, Jonathan M.; Pishahang, Mehdi; Bredesen, Rune (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 

      Ruhl, Rian; Song, Jia; Thoréton, Vincent; Singh, Sathya Prakash; Wiik, Kjell; Larring, Yngve; Bouwmeester, Henny J. M. (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 

      Polfus, Jonathan; Peters, Thijs; Bredesen, Rune; Løvvik, Ole Martin (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 ...