Correlation between Thermal Properties, Electrical Conductivity, and Crystal Structure in the BaCe0.80Y0.20O2.9 Proton Conductor

Malavasi, Lorenzo; Ritter, C.; Chiodelli, Gaetano

doi:10.1021/cm7033917

Cited by 62 publications

(60 citation statements)

References 34 publications

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“…This discontinuity in thermal expansion and proton diffusion has been observed for the same or for similar materials41424344. Literally, the thermal expansion coefficient decreases in the temperature range where we observe the onset of considerable proton diffusivity and conductivity, that is, here in the range 650–700 K. Most noteworthily, the jump time τ is correctly predicted for the Ce–O stretching mode by the proton polaron model (equation (7)), whereas the O–H stretching is validated only for T >700 K.…”

Section: Resultssupporting

confidence: 69%

Experimental neutron scattering evidence for proton polaron in hydrated metal oxide proton conductors

Braun

Chen

2017

Nat Commun

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Hydration of oxygen-deficient metal oxides causes filling of oxygen vacancies and formation of hydroxyl groups with interstitial structural protons, rotating around the oxygen in localized motion. Thermal activation from 500 to 800 K triggers delocalization of the protons by jumping to adjacent oxygen ions, constituting proton conductivity. We report quantitative analyses of proton and lattice dynamics by neutron-scattering data, which reveal the interaction of protons with the crystal lattice and proton–phonon coupling. The motion for the proton trapped in the elastic crystal field yields Eigen frequencies and coupling constants, which satisfy Holstein’s polaron model for electrons and thus constitutes first experimental evidence for a proton polaron at high temperature. Proton jump rates follow a polaron model for cerium-oxygen and hydroxyl stretching modes, which are thus vehicles for proton conductivity. This confirms that the polaron mechanism is not restricted to electrons, but a universal charge carrier transport process.

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Section: Resultssupporting

confidence: 69%

Experimental neutron scattering evidence for proton polaron in hydrated metal oxide proton conductors

Braun

Chen

2017

Nat Commun

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“…For BCY20 rich structural phase transformations as a function of temperature and water uptake were found to occur by structure sensitive techniques [12][13][14][15][16][17][18]. The oxides BaCe1−xYxO3−δ with lower substitution rate (x≤0.15) feature seemingly a higher structural stability [13,14,16].…”

Section: Bace1−xyxo3−δ In Sofcsmentioning

confidence: 99%

“…The oxides BaCe1−xYxO3−δ with lower substitution rate (x≤0.15) feature seemingly a higher structural stability [13,14,16]. Nevertheless, the crystalline structures even at ambient temperature remain questioned because depending on synthesis and processing conditions subtle local tilting and distortion of the Ce/Y containing oxygen octahedra results in various structures of monoclinic, rhombohedral and orthorhombic symmetry [12,18].…”

Section: Bace1−xyxo3−δ In Sofcsmentioning

confidence: 99%

BACE_0.85Y_0.15O_3-ΔBASED MATERIALS FOR SOLID OXIDE FUEL CELLS: ROOM-TEMPERATURE NEUTRON DIFFRACTION STUDY

Krezhov¹,

Vladikova²,

Raikova³

et al. 2016

RAD Conference Proceedings

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Abstract. The crystal structure of oxygen-deficient BaCe0.85Y0.15O3−δ (BCY15) materials prepared by auto-combustion with following calcination at high temperature was determined from neutron and X-ray powder diffraction. The materials were used recently as cathode, anode and central membrane in a novel design of SOFC: dual membrane fuel cell (dmFC). The dmFC design exploits the good mixed (protonic and oxide ion) conductivity in BaCe 0.85Y0.15O2.825 at working temperatures of 600-700 o C. It allows the introduction of a separate compartment (central membrane) for water formation and evacuation. The central membrane has mixed ionic conductivity ensured by a composite material and porous microstructure. Profile refinements within the orthorhombic space group Pnma reproduced the neutron diffraction profiles of all the materials (dense, porous, powder) based on BCY15 conductivity presenting similar model crystal structures to protonic conductor BaCe 0.9Y0.10O2.95 and the parent undoped BaCeO3 perovskite.

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“…However, we regard that the sensitivity and resolution of their observed X-ray diffraction patterns were so low that accurate crystal structure could not be analyzed in their study. Malavasi and coworkers 20) 19) and carried out neutron diffraction measurement with high resolution. They reported that the crystal system of BaCe 0.8 Y 0.2 O 3¹¤ was monoclinic distorted perovskite although it contained 7 mol % of orthorhombic phase as impurities.…”

Section: Introductionmentioning

confidence: 99%

Preparation of BaCe1-xYxO3-.DELTA. single phase by liquid phase mixing method and its structural variation on Y content

Shimizu

Aoto

Hashimoto

2011

J. Ceram. Soc. Japan

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As a preparation method of proton conducting BaCe 1¹x Y x O 3¹¤ , solid state reaction method and liquid phase mixing one from same raw materials have been compared. By solid state reaction of BaCO 3 , CeO 2 and Y 2 O 3 , segregation of Y 2 O 3 was observed in the specimens with x larger than 0.15. Employing liquid phase mixing method, BaCe 1x Y x O 3¤ single phase of 0.00¯x¯0.25 with homogeneous Y distribution, has been successfully prepared. It was revealed that crystal system of BaCe 1¹x Y x O 3¹¤ was orthorhombic distorted perovskite and monoclinic distorted one for 0.00¯x¯0.10 and 0.15¯x¯0.25, respectively. The abrupt increase of volume due to the structural phase transition was observed at x between 0.10 and 0.15.

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Correlation between Thermal Properties, Electrical Conductivity, and Crystal Structure in the BaCe_0.80Y_0.20O_2.9 Proton Conductor

Cited by 62 publications

References 34 publications

Experimental neutron scattering evidence for proton polaron in hydrated metal oxide proton conductors

Experimental neutron scattering evidence for proton polaron in hydrated metal oxide proton conductors

BACE_0.85Y_0.15O_3-ΔBASED MATERIALS FOR SOLID OXIDE FUEL CELLS: ROOM-TEMPERATURE NEUTRON DIFFRACTION STUDY

Preparation of BaCe1-xYxO3-.DELTA. single phase by liquid phase mixing method and its structural variation on Y content

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Correlation between Thermal Properties, Electrical Conductivity, and Crystal Structure in the BaCe0.80Y0.20O2.9 Proton Conductor

Cited by 62 publications

References 34 publications

Experimental neutron scattering evidence for proton polaron in hydrated metal oxide proton conductors

Experimental neutron scattering evidence for proton polaron in hydrated metal oxide proton conductors

BACE0.85Y0.15O3-ΔBASED MATERIALS FOR SOLID OXIDE FUEL CELLS: ROOM-TEMPERATURE NEUTRON DIFFRACTION STUDY

Preparation of BaCe1-xYxO3-.DELTA. single phase by liquid phase mixing method and its structural variation on Y content

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Product

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Correlation between Thermal Properties, Electrical Conductivity, and Crystal Structure in the BaCe_0.80Y_0.20O_2.9 Proton Conductor

BACE_0.85Y_0.15O_3-ΔBASED MATERIALS FOR SOLID OXIDE FUEL CELLS: ROOM-TEMPERATURE NEUTRON DIFFRACTION STUDY