Chemical diffusion with non-constant Dδ and the appearance of a parabolic rate law: Model study on SrTiO3

Literature Information

Publication Date 2004-03-09
DOI 10.1039/B315485H
Impact Factor 3.676
Authors

Rotraut Merkle, Joachim Maier, Klaus-Dieter Becker, Marc Kreye


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Abstract

The chemical diffusion of oxygen in Fe-doped SrTiO3 single crystals driven by large changes in the ambient oxygen partial pressure pO2 is studied. The stoichiometry dependence of the chemical diffusion coefficient Dδ is derived from the concept of conservative ensembles for two independent trapping reactions. Finite difference simulations show that the stoichiometry dependence of Dδ can lead to the appearance of a parabolic rate law (which typically applies to two- or multiple-phase systems) even in single-phase systems, provided a strong increase of Dδ occurs in the outer sample region.

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Cover

DOI: 10.1039/C9AN90061F

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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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.

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