2022
DOI: 10.1039/d2ta02328h
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Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity

Abstract: The structure and composition of La-silicate apatite oxide ion conductor, La10Si6O27, in which the types of defects it contains are controversial has been thoroughly investigated. Large crystals were grown using...

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Cited by 4 publications
(3 citation statements)
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“…These six categories demonstrate various types of defect chemistry mainly associated with A cation vacancies, channel oxygen vacancies, and interstitial oxide ions. In addition, a more recent work raised questions about the true composition for the nominal A -site fully occupied with excess of oxide anion compounds La 10 Si 6 O 27 and suggested the simultaneous existence of La and Si vacancies. Nevertheless, the existence of Si vacancies remains questionable from the solid-state chemistry point of view, being not energetically favorable according to previous atomistic calculations performed on La 8 Sr 2 ­Si 6 O 26 and La 9.33 ­Si 6 O 26 compounds .…”
Section: Apatite-type Oxide Ion Conductorsmentioning
confidence: 99%
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“…These six categories demonstrate various types of defect chemistry mainly associated with A cation vacancies, channel oxygen vacancies, and interstitial oxide ions. In addition, a more recent work raised questions about the true composition for the nominal A -site fully occupied with excess of oxide anion compounds La 10 Si 6 O 27 and suggested the simultaneous existence of La and Si vacancies. Nevertheless, the existence of Si vacancies remains questionable from the solid-state chemistry point of view, being not energetically favorable according to previous atomistic calculations performed on La 8 Sr 2 ­Si 6 O 26 and La 9.33 ­Si 6 O 26 compounds .…”
Section: Apatite-type Oxide Ion Conductorsmentioning
confidence: 99%
“…Nevertheless, the existence of Si vacancies remains questionable from the solid-state chemistry point of view, being not energetically favorable according to previous atomistic calculations performed on La 8 Sr 2 ­Si 6 O 26 and La 9.33 ­Si 6 O 26 compounds . Other researchers observed Si vacancies by analyzing X-ray diffraction (XRD) data, which is not a sensitive technique toward the light Si and O atoms, while Fujii et al addressed a more sensible characterization by using single-crystal NPD data on La 9.565 ­(Si 5.826 )­O 26 . Still, the number of calculated vacancies in the latter case is small (∼3 at%) and could be subject to incorrect structural models or correlations to atomic displacements affected by the positional disorder.…”
Section: Apatite-type Oxide Ion Conductorsmentioning
confidence: 99%
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