• Title/Summary/Keyword: Perovskite oxide

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Effect of B-Cation Doping on Oxygen Vacancy Formation and Migration in LaBO3: A Density Functional Theory Study

  • Kwon, Hyunguk;Park, Jinwoo;Kim, Byung-Kook;Han, Jeong Woo
    • Journal of the Korean Ceramic Society
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    • v.52 no.5
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    • pp.331-337
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    • 2015
  • $LaBO_3$ (B = Cr, Mn, Fe, Co, and Ni) perovskites, the most common perovskite-type mixed ionic-electronic conductors (MIECs), are promising candidates for intermediate-temperature solid oxide fuel cell (IT-SOFC) cathodes. The catalytic activity on MIEC-based cathodes is closely related to the bulk ionic conductivity. Doping B-site cations with other metals may be one way to enhance the ionic conductivity, which would also be sensitively influenced by the chemical composition of the dopants. Here, using density functional theory (DFT) calculations, we quantitatively assess the activation energies of bulk oxide ion diffusion in $LaBO_3$ perovskites with a wide range of combinations of B-site cations by calculating the oxygen vacancy formation and migration energies. Our results show that bulk oxide ion diffusion dominantly depends on oxygen vacancy formation energy rather than on the migration energy. As a result, we suggest that the late transition metal-based perovskites have relatively low oxygen vacancy formation energies, and thereby exhibit low activation energy barriers. Our results will provide useful insight into the design of new cathode materials with better performance.

Catalytic Combustion of Soot Particulate over Perovskite-Type Oxides (폐롭스카이트형 촉매에서 입자상물질의 촉매연소반응)

  • Yang, Jin-Sup;Hong, Seong-Soo;Jung, Duck-Young;Oh, Kwang-Jung;Cho, Kyung-Mok;Ryu, Bong-Ki;Park, Dae-Won
    • Applied Chemistry for Engineering
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    • v.9 no.6
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    • pp.803-810
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    • 1998
  • We have studied the catalytic combustion of soot particulate over perovskite-type oxides prepared by malic acid method. The catalysts were modified to enhance the activity by substitution of metal into A or B site of perovskite oxide. In addition, the reaction conditions, such as temperature, $O_2$ concentration, space velocity have been studied. The effect of $SO_2$ pretreatment and water introduced into reactants were also examined. In the $LaCoO_3$ catalyst, the partial substitution of alkali metals into A site enhanced the catalytic activity in the combustion of soot particulate and the activity was shown in the order : Cs>K>Na; In the $La_{0.6}Cs_{0.4}CoO_3 $; catalyst, the substitution of Fe or Mn showed no effect on the ignition temperature. The ignition temperature decreased with increasing $O_2$ concentration and contact time. The introduction of water into reactants feed decreased the ignition temperature and the pretreatment of $SO_2$ showed no effect on the catalytic activity.

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Catalytic Reduction of Nitric Oxide by Carbon Monoxide over Perovskite-Type Oxide (페롭스카이트형 산화물에서 일산화탄소에 의한 질소산화물의 환원반응)

  • Moon, Haeng-Chul;Sun, Chang-Bong;Lee, Gun-Dae;Ahn, Byuong-Hyun;Lim, Kwon-Taek;Hong, Seong-Soo
    • Applied Chemistry for Engineering
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    • v.10 no.3
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    • pp.407-414
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    • 1999
  • We have studied the reduction of NO by CO over perovskite-type oxides prepared by malic and method. The catalysts were modified to enhance the activity by substitution of metal into A or B site of perovskite oxides. In the $LaCoO_3$ type catalyst, the partial substitution of Sr into A site enhanced the catalytic activity on the conversion of NO at less than $350^{\circ}C$. In the $La_{0.6}Sr_{0.4}Co_{1-x}Fe_xO_3$ catalyst, the partial substitution of Fe or Mn into B site enhanced the conversion of NO, but excess amount of Fe decreased the conversion of NO. In addition, $La_{0.6}Sr_{0.4}Co_{0.8}Fe_{0.2}O_3$ mixed with $SnO_2$ or $MnO_2$ showed the synergy effect on the reduction of NO. The introduction of water into reactants feed decreased the catalytic activity but the deactivation was shown to be reversible. The introduction of $SO_2$ into reactants feed also decreased the catalytic activity.

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Electrochemical Investigation in Particle Size and Thermal Cycles of Sr Doped Layered Perovskite Based Composite Cathodes for Intermediate Temperature-operating Solid Oxide Fuel Cell (중·저온형 고체산화물 연료전지 공기극의 적용을 위한 Sr이 치환된 이중층 페로브스카이트 기반 복합공기극 물질의 분말 크기 및 열 사이클에 따른 전기화학특성 분석)

  • Kim, Jung-Hyun
    • Journal of the Korean Electrochemical Society
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    • v.14 no.3
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    • pp.176-183
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    • 2011
  • The electrochemical characteristics from various particle sizes of $Ce_{0.9}Gd_{0.1}O_{2-{\delta}}$ (CGO91) in composite cathode comprised of the samarium-strontium doped layered perovskite ($SmBa_{0.5}Sr_{0.5}Co_2O_{5+{\delta}}$) and CGO91 have been investigated for possible application as a cathode material for an intermediate temperature-operating solid oxide fuel cell (IT-SOFC). The area specific resistances (ASRs) of composite cathodes with CGO91 having smaller particle size ($0.4\sim42{\mu}m$) and SBSCO of 1 : 1 ratio (50wt% SBSCO and 50 wt% CGO91, SBSCO: 50) give the lowest ASR of $0.10{\mu}cm^2$ at $600^{\circ}C$ and $0.013{\Omega}cm^2$ at $700^{\circ}C$. However, composite cathodes with having relatively bigger CGO91 particle size show the two times higher ASR results than those of SBSCO : 50. From the 10 times thermal cycles in SBSCO : 50, the ASRs of SBSCO : 50 increased from $0.0193{\Omega}cm^2$ to $0.094{\Omega}cm^2$ at $700^{\circ}C$, however, the ASR value was maintained after 7 times of thermal cycling.

Effect of Sealant Materials on Oxygen Permeation in Perovskite Oxide Membrane (밀봉 재료에 따른 페롭스카이트 막의 산소투과 특성)

  • Kim, Jong Pyo;Park, Jung Hoon;Yoon, Yeoil
    • Applied Chemistry for Engineering
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    • v.19 no.4
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    • pp.382-387
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    • 2008
  • $Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3-{\delta}}$ oxide was synthesized by polymerized complex method. Dense membrane of perovskite oxide was prepared using as-prepared powder by pressing and sintering at $1080^{\circ}C$. Leakage test was conducted on the membrane sealed by gold ring, Pyrex ring or Pyrex powder as a sealing material. The oxygen permeation flux of $Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3-{\delta}}$ membrane increased with increasing temperature and was $0.74mL/min{\cdot}cm^2$ at $900^{\circ}C$. In the case of the membrane applied by sealing material, oxygen permeation flux of the membrane using gold ring at $950^{\circ}C$ was higher than that using Pyrex materials because the undesired spreading of Pyrex glass materials in the membrane led to the reduction of effective permeation area. Microphotograph analysis results for the membrane after permeation test confirmedthe diffusion of Pyrex glass seal into the membrane.

The Effect of the Deposition Temperature and la Doping Concentration on the Properties of the (Pb, La)$\textrm{TiO}_3$ Films Deposited by ECR PECVD (증착온도와 La조성비가 ECR 플라즈마 화학기상증착법으로 증착한 (Pb, La)$\textrm{TiO}_3$박막의 물성에 미치는 영향)

  • Jeong, Seong-Ung;Park, Hye-Ryeon;Lee, Won-Jong
    • Korean Journal of Materials Research
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    • v.7 no.3
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    • pp.196-202
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    • 1997
  • Perovskite lanthanum doped lead titanate ($(Pb,La)TiO_{3}$ or PLT) thin films were successfully fabricated on Pt/TijSiO.iSi substrates at the temperatures as low as $440~500^{\circ}C$ by eleclron cyclotron resonance plasma-enhanced chemical vapor deposition (ECR PECVII). Since the volatilities of the MC sources arid oxide molecules (especially Ph oxide) increased with increasing deposition temperature, the film deposition rate and the (I'b + La)/'Ti ratio decreased Stoichiometric perovskite PL'T films with good dielectric and leakeage current properties were obtained at the temperatures of $460~480^{\circ}C$. The lanthanum content of the film was nearly directly propotional to $La(DPM)_{3}$ flow rate. As the La/Ti ratio increased from 3.0 to 9.5%, the dielectric constant increased from 360 to 650 and the leakeage current density at 100kV/cm electric field decreased from $4{\times}10^{-5}$ to $4{\times}10_{-8}A/cm^2$.

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Synthesis and Characterization of Intergrowth Type Perovskite Oxide NdSr2MnCrO7

  • Singh, Devinder
    • Bulletin of the Korean Chemical Society
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    • v.32 no.8
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    • pp.2761-2764
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    • 2011
  • A new Ruddlesden-Popper phase $NdSr_2MnCrO_7$ has been prepared by the standard ceramic method. The powder X-ray diffraction studies suggest that the phase crystallizes with tetragonal unit cell in the space group I4/mmm. The electrical transport properties show that the phase is an electrical insulator and the electrical conduction in the phase occurs by a 3D variable range hopping mechanism. The magnetic studies suggest that the ferromagnetic interactions are dominant.