Optimising oxygen diffusion in non-cubic, non-dilute perovskite oxides based on BiFeO 3

• A general expression for the statistical error in a diffusion coefficient obtained from a solid‐state molecular‐dynamics simulation

  2023 Journal of Computational Chemistry article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  22

  citations
• Oxygen transport at a ferroelastic domain wall in CaTiO3

  2022 Physical Review Materials article Materials Science Ferroelectric and Piezoelectric Materials

  5

  citations
• Nonlinear ion mobility at high electric field strengths in the perovskites SrTiO3 and CH3NH3PbI3

  2021 Physical Review Materials article Engineering Perovskite Materials and Applications

  13

  citations
• Perovskite crystal symmetry and oxygen-ion transport: a molecular-dynamics study of perovskite

  2021 Journal of Materials Chemistry A article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  36

  citations
• Oxygen transport in single-crystal LaAlO3 substrates

  2021 Physical Review Materials article Materials Science Advancements in Solid Oxide Fuel Cells

  8

  citations
• Metadynamics simulations of strontium-vacancy diffusion in SrTiO3

  2021 Physical Review Materials article Materials Science Advancements in Solid Oxide Fuel Cells

  16

  citations
• High oxide-ion conductivity in acceptor-doped Bi-based perovskites at modest doping levels

  2021 Physical Chemistry Chemical Physics article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  15

  citations
• The usefulness of molecular-dynamics simulations in clarifying the activation enthalpy of oxygen-vacancy migration in the perovskite oxide BaTiO 3

  2020 Physical Chemistry Chemical Physics article Materials Science Ferroelectric and Piezoelectric Materials

  24

  citations

8 results