Recent developments in perovskite-based oxide ion conductors

Kendall, Kurt R.; Navas, C.; Thomas, Julie K.; Loye, Hans-Conrad zur

doi:10.1016/0167-2738(95)00207-4

Cited by 212 publications

(95 citation statements)

References 32 publications

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“…[1][2][3][4][5][6][7][8] Their structure type can be thought of as an ABO 3 perovskite with one-sixth of the oxygen atoms removed (Figure 1a), creating parallel rows of ordered anion vacancies along the [110] crystallographic direction; this results in alternating layers of corner-connected BO 4 tetrahedra and BO 6 octahedra ( Figure 1b). While cooperative distortions and octahedral rotations are well understood in perovskites, the presence of tetrahedral layers in the brownmillerites adds additional structural complexity and possible degrees of freedom for both structure and electronic function design.…”

Section: Introductionmentioning

confidence: 99%

Crystal structure and electronic properties of bulk and thin film brownmillerite oxides

Young¹,

Rondinelli²

2015

Phys. Rev. B

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The equilibrium structure and functional properties exhibited by brownmillerite oxides, a family of perovskite-derived structures with alternating layers of BO6 octahedra and BO4 tetrahedra, viz., ordered arrangements of oxygen vacancies, is dependent on a variety of competing crystal-chemistry factors. We use electronic structure calculations to disentangle the complex interactions in two ferrates, Sr2Fe2O5 and Ca2Fe2O5, relating the stability of the equilibrium (strain-free) and thin film structures to both previously identified and newly herein proposed descriptors. We show that cation size and intralayer separation of the tetrahedral chains provide key contributions to the preferred ground state. We show the bulk ground state structure is retained in the ferrates over a range of strain values; however, a change in the orientation of the tetrahedral chains, i.e., a perpendicular orientation of the vacancies relative to the substrate, is stabilized in the compressive region. The structure stability under strain is largely governed by maximizing the intraplane separation of the 'dipoles' generated from rotations of the FeO4 tetrahedra. Lastly, we find that the electronic band gap is strongly influenced by strain, manifesting as an unanticipated asymmetric-vacancy alignment dependent response. This atomistic understanding establishes a practical route for the design of functional electronic materials in thin film geometries.

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Section: Introductionmentioning

confidence: 99%

Crystal structure and electronic properties of bulk and thin film brownmillerite oxides

Young¹,

Rondinelli²

2015

Phys. Rev. B

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“…1,2 More recently, high proton conductivity has been established in doped A 2+ B 4+ O 3 perovskites such as BaCeO 3 , SrCeO 3, and SrZrO 3 . [3][4][5][6] The particularly high conductivity of rare-earth (or yttrium) doped BaCeO 3 has led to extensive studies of its applicability as an electrolyte for reduced-temperature solid-oxide fuel cells and for hydrogen sensors.…”

Section: Introductionmentioning

confidence: 99%

Defect chemistry and transport properties of Ba_xCe_0.85M_0.15O_3-δ

Espinosa

et al. 2004

J. Mater. Res.

106

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The site-incorporation mechanism of M 3+ dopants into A 2+ B 4+ O 3 perovskites controls the overall defect chemistry and thus their transport properties. For charge-balance reasons, incorporation onto the A 2+ -site would require the creation of negatively charged point defects (such as cation vacancies), whereas incorporation onto the B 4+ -site is accompanied by the generation of positively charged defects, typically oxygen vacancies. Oxygen-vacancy content, in turn, is relevant to proton-conducting oxides in which protons are introduced via the dissolution of hydroxyl ions at vacant oxygen sites. We propose here, on the basis of x-ray powder diffraction studies, electron microscopy, chemical analysis, thermal gravimetric analysis, and alternating current impedance spectroscopy, that nominally B-site doped barium cerate can exhibit dopant partitioning as a consequence of barium evaporation at elevated temperatures.

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“…Recently, oxides with mixed electronic and ionic conductivities have begun to attract attention because of their applications in high-temperature electrochemical processes [1][2][3][4][5]. For example, they are used as electrodes in solid oxide fuel cells, and if their oxygen permeability is high enough, they can be used as oxygen-separation membranes.…”

Section: Introductionmentioning

confidence: 99%

99/01301 Phase stability of the mixed-conducting Sr-Fe-Co-O system

1999

Fuel and Energy Abstracts

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Recent developments in perovskite-based oxide ion conductors

Cited by 212 publications

References 32 publications

Crystal structure and electronic properties of bulk and thin film brownmillerite oxides

Crystal structure and electronic properties of bulk and thin film brownmillerite oxides

Defect chemistry and transport properties of Ba_xCe_0.85M_0.15O_3-δ

99/01301 Phase stability of the mixed-conducting Sr-Fe-Co-O system

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Recent developments in perovskite-based oxide ion conductors

Cited by 212 publications

References 32 publications

Crystal structure and electronic properties of bulk and thin film brownmillerite oxides

Crystal structure and electronic properties of bulk and thin film brownmillerite oxides

Defect chemistry and transport properties of BaxCe0.85M0.15O3-δ

99/01301 Phase stability of the mixed-conducting Sr-Fe-Co-O system

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Defect chemistry and transport properties of Ba_xCe_0.85M_0.15O_3-δ