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- W2956179991 startingPage "20180430" @default.
- W2956179991 abstract "Taking the model system of an oxide containing acceptor dopant cations and charge-compensating oxygen vacancies, we calculate at the continuum level the change in the excess grain-boundary energy of an ionic solid upon space-charge formation. Two different cases are considered for the space-charge layers: (i) only vacancies attain electrochemical equilibrium and (ii) both dopants and vacancies attain electrochemical equilibrium. The changes calculated for a specific set of grain boundaries indicate that, depending on dopant concentration, space-charge formation can decrease the excess free energy by up to 15% in the first case and by up to 45% in the second case. The possibility of the excess grain-boundary energy going to zero and the possible effects of an external electric field on the excess grain-boundary energy are also discussed. This article is part of a discussion meeting issue 'Energy materials for a low carbon future'." @default.
- W2956179991 created "2019-07-23" @default.
- W2956179991 creator A5000093745 @default.
- W2956179991 creator A5018132118 @default.
- W2956179991 date "2019-07-08" @default.
- W2956179991 modified "2023-10-12" @default.
- W2956179991 title "The effect of space-charge formation on the grain-boundary energy of an ionic solid" @default.
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- W2956179991 doi "https://doi.org/10.1098/rsta.2018.0430" @default.
- W2956179991 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6635631" @default.
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- W2956179991 hasPublicationYear "2019" @default.
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