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Royal Society of Chemistry, Materials Advances, 23(4), p. 6233-6243, 2023

DOI: 10.1039/d3ma00308f

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Incorporation of protons and hydroxide species in BaZrO<sub>3</sub> and BaCeO<sub>3</sub>

Journal article published in 2023 by Andrew J. E. Rowberg ORCID, Meng Li ORCID, Tadashi Ogitsu ORCID, Joel B. Varley ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

We calculate the energetics of protonation in proton-conducting oxides, as well as defect concentrations and mobility under electrolysis conditions.