Impurity diffusion of 141Pr in LaMnO3, LaCoO3 and LaFeO3 materials
文献信息
Marián Palcut, Jens S. Christensen, Kjell Wiik, Tor Grande
The impurity diffusion of Pr3+ in dense polycrystalline LaMnO3, LaCoO3 and LaFeO3 was studied at 1373–1673 K in air in order to investigate cation diffusion in these materials. Cation distribution profiles were measured by secondary-ion mass spectrometry and it was found that penetration profiles of Pr3+ had two distinct regions with different slopes. The first, shallow region was used to evaluate the bulk diffusion coefficients. The activation energies for bulk diffusion of Pr3+ in LaMnO3, LaCoO3 and LaFeO3 were 126 ± 6, 334 ± 68 and 258 ± 75 kJ mol−1, respectively, which are significantly lower than previously predicted by atomistic simulations. The bulk diffusion of Pr3+ in LaMnO3 was enhanced compared to LaCoO3 and LaFeO3 due to higher concentrations of intrinsic point defects in LaMnO3, especially La site vacancies. Grain-boundary diffusion coefficients of Pr3+ in LaCoO3 and LaFeO3 materials were evaluated according to the Whipple–Le Claire equation. Activation energies for grain-boundary diffusion of Pr3+ in LaCoO3 and LaFeO3 materials were 264 ± 41 kJ mol−1 and 290 ± 36 kJ mol−1 respectively. Finally, a correlation between activation energies for cation diffusion in bulk and along grain boundaries in pure and substituted LaBO3 materials (B = Cr, Fe, Co) is discussed.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














