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Title: Oxygen trapping and cation site-splitting in Y (2−x) Pr x O 3+δ (0.0≤x<2.0 and δ≤1.0)

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Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
Grant/Contract Number:
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 242; Journal Issue: P2; Related Information: CHORUS Timestamp: 2017-10-14 01:46:49; Journal ID: ISSN 0022-4596
Country of Publication:
United States

Citation Formats

Lussier, Joey A., Devitt, Graham, Szkop, Kevin M., and Bieringer, Mario. Oxygen trapping and cation site-splitting in Y (2−x) Pr x O 3+δ (0.0≤x<2.0 and δ≤1.0). United States: N. p., 2016. Web. doi:10.1016/j.jssc.2016.03.017.
Lussier, Joey A., Devitt, Graham, Szkop, Kevin M., & Bieringer, Mario. Oxygen trapping and cation site-splitting in Y (2−x) Pr x O 3+δ (0.0≤x<2.0 and δ≤1.0). United States. doi:10.1016/j.jssc.2016.03.017.
Lussier, Joey A., Devitt, Graham, Szkop, Kevin M., and Bieringer, Mario. 2016. "Oxygen trapping and cation site-splitting in Y (2−x) Pr x O 3+δ (0.0≤x<2.0 and δ≤1.0)". United States. doi:10.1016/j.jssc.2016.03.017.
title = {Oxygen trapping and cation site-splitting in Y (2−x) Pr x O 3+δ (0.0≤x<2.0 and δ≤1.0)},
author = {Lussier, Joey A. and Devitt, Graham and Szkop, Kevin M. and Bieringer, Mario},
abstractNote = {},
doi = {10.1016/j.jssc.2016.03.017},
journal = {Journal of Solid State Chemistry},
number = P2,
volume = 242,
place = {United States},
year = 2016,
month =

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.jssc.2016.03.017

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  • Here we discuss the reduction and oxidation of the solid solution Y (2₋x)Pr xO 3+δ (0.0≤x<2.0 and δ≤1.0) with an emphasis in our investigation on potential solid state electrolyte applications in solid oxide fuel cells. The fully reduced solid solution Y 2₋xPr xO 3 (0.0≤x<2.0) crystallizes in the bixbyite structure (more » $$^{Ia\bar{3}}$$). The oxidized solid solution Y 2₋xPr xO 3+δ (0.0≤x<1.4) forms bixbyite phases ($$^{Ia\bar{3}}$$) whereas Y 2₋xPr xO 3+δ (1.4≤x<2) compositions form fully disordered defect fluorite structures ($$^{Fm\bar{3}ms}$$) with variable oxide defect concentrations. The two cation positions are investigated in detail using synchrotron powder X-ray and time of flight neutron diffraction data. In the bixbyite structures the 8c cation site splits into the 16c cation site and the 24d cation position migrates toward the ideal fluorite coordination upon oxidation. Reductive in-situ diffraction experiments reveal the co-existence of the fluorite and bixbyite structure only in a narrow temperature range. During oxidation of the bixbyite phase a new 16c oxide anion site is populated. Finally, the impact of the 16c oxide site population on the cation sublattice is being discussed.« less
  • Six compounds with formula Sr2Fe1.9M0.1O5+y (M = Mn, Cr, Co; y = 0, 0.5) were synthesized in air and argon, exhibiting surprisingly different properties depending on the B-cation type in spite of the low (5%) doping level. All argon synthesized phases, y 0, have long range brownmillerite ordering of oxygen vacancies with Icmm symmetry as shown by neutron diffraction (ND). All show long-range G-type antiferromagnetic order with N el temperatures, TN, from variable temperature ND of 649(3)K, 636(2)K and 668(5)K for Cr, Mn and Co-compounds, respectively, compared with Sr2Fe2O5, TN = 693 K. Competing ferromagnetic interactions may be responsible formore » the anomalously low value in the M = Mn case. The air synthesized phases with y 0.5 show surprising variation with M as investigated by X-ray, TOF and constant wavelength neutron diffractions. The M = Co compound is isostructural with Sr4Fe4O11 (Sr2Fe2O5.5), Cmmm, while the M = Cr phase is cubic, Pm-3m, and that for M = Mn appears to be cubic but the reflections are systematically broadened in a manner which suggests a local Cmmm structure. NPDF studies show that the local structure of the Cr phase is better described in terms of a Cmmm ordering of oxygen vacancies with Fe O coordination numbers of five and six. The M = Co material shows C-type antiferromagnetic long-range magnetic order at 4 K as found for Sr4Fe4O11. TN 230 K is inferred from a ZFC-FC magnetic susceptibility divergence compared with TN = 232 K for un-doped Sr4Fe4O11. The M = Cr and Mn compounds show no long-range magnetic ordering down to 4 K, but the divergence of ZFC and FC susceptibility data indicative of spin glass-like transitions occur at 60 K and 45 K for Cr and Mn, respectively. ND shows both diffuse and sharp Bragg magnetic reflections at positions consistent with a Cmmm cell for the M = Mn phase. For the M = Cr material, a very weak magnetic Bragg peak indexed as (1/2 1/2 1/2), consistent with a G-type AF order, is found at 4 K. These results rule out a spin glass-like ground state for both materials.« less
  • A series of cation-doped BaTaO{sub 2}N particle was synthesized to control the donor density in the bulk for improving the performance of photoelectrochemical water splitting on porous BaTaO{sub 2}N photoanodes under visible light. Among the dopants (Mo{sup 6+}, W{sup 6+}, Zr{sup 4+}, and Ti{sup 4+}) examined, Mo{sup 6+} cations can be introduced into the Ta{sup 5+} site up to 5 mol. % without producing any impurity phases; the donor density of BaTaO{sub 2}N was indeed increased significantly by introducing higher ratio of Mo{sup 6+} dopant. The porous photoanodes of Mo-doped BaTaO{sub 2}N showed much higher photocurrent than others including undopedmore » one and also exhibited much improved performance in photoelectrochemical water splitting into H{sub 2} and O{sub 2} after loaded with cobalt oxide cocatalyst and coupled with Pt counter electrode.« less