Open-cell voltage and electrical conductivity of a protonic ceramic electrolyte under two chemical potential gradients

Literature Information

Publication Date 2018-05-04
DOI 10.1039/C8CP01880D
Impact Factor 3.676
Authors

Ho-Il Ji, Hyoungchul Kim, Hae-Weon Lee, Byung-Kook Kim, Kyung Joong Yoon


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Abstract

BaZr0.8Y0.2O3−δ, which is a proton-conducting oxide used as an electrolyte for protonic ceramic fuel cells (PCFCs), possesses two mobile ionic charge carriers—oxygen ions and protons—in a crystalline lattice below 500 °C. The equilibrium concentrations of these charge carriers are dependent on water activity. This feature induces a complexity in the distribution of charge carriers within the electrolyte under the influence of the two chemical potential gradients of oxygen and water, which is a typical operating condition in PCFCs. This makes the theoretical derivations of the open-cell voltage and the electrical resistance of the electrolyte difficult. Here, we calculate the distributions of oxygen vacancies and protons across the electrolyte by solving diffusion equations based on the defect chemistry of BaZr0.8Y0.2O3−δ at 500 °C. We then extract the theoretical open-cell voltage and electrical conductivity of the electrolyte in a range of water and oxygen activities that is of interest for PCFCs.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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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