Performance of Calcium Doping in Layered Double Perovskite as Cathode Material for Solid Oxide Fuel Cells

被引：0
|
作者：
Jin F. [1 ]
Ling Y. [1 ]
机构：
[1] School of Materials Science and Physics, China University of Mining and Technology, Jiangsu, Xuzhou
来源：
Kuei Suan Jen Hsueh Pao/Journal of the Chinese Ceramic Society | 2023年 / 51卷 / 07期
关键词：
cathode; density function theory calculation; double perovskite; electrochemical performance; solid oxide fuel cell;
D O I：
10.14062/j.issn.0454-5648.20221071
中图分类号：
学科分类号：
摘要：
The double perovskite oxides are widely investigated as cathode materials for solid oxide fuel cell (SOFC) due to their superior ionic electron conductivity. In this work, Pr0.9Ca0.1Ba1–xCaxCo2O5+δ (0≤x≤0.3, PCBC) was prepared by a modified complexing sol–gel process. Based on the electrical conductivity results, Ca ion co-doping can effectively improve the conductivity of the material. The electrochemical performance results indicate that the cathode with x of 0.2 has the optimum oxygen catalytic activity, and the polarization impedance is only 0.069 Ω·cm2 at 700 ℃. The oxygen vacancy formation energy, density of states, as well as O s and O p band center of PrBaCo2O5+δ, Pr0.75Ca0.25BaCo2O5+δ, and Pr0.75Ca0.25Ba0.75Ca0.25Co2O5+δ materials were calculated based on the GGA–PBE function. It is indicated that Pr-site doped with Ca can reduce the oxygen vacancy formation energy, while Ba-site doped with Ca can increase the oxygen vacancy formation energy. The calculation results of O p band center show that the strategy of Ba–site doped with Ca can effectively increase the oxygen reduction activity. The co-doping strategy of double perovskite can improve the thermal expansion, conductivity, electrochemical performance, and long-term stability of the material. © 2023 Chinese Ceramic Society. All rights reserved.
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页码：1773 / 1782
页数：9
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共 18 条
  • [1] JUN A, KIM J, SHIN J, Et al., Perovskite as a cathode material: A review of its role in solid-oxide fuel cell technology[J], ChemElectroChem, 3, 4, pp. 511-530, (2016)
  • [2] JOUNG Y H, KANG H I, CHOI W S, Et al., Investigation of X-ray photoelectron spectroscopy and electrical conductivity properties of the layered perovskite LnBaCo<sub>2</sub>O<sub>5+δ</sub> (Ln = Pr, Nd, Sm, and Gd) for IT-SOFC[J], Electron Mater Lett, 9, 4, pp. 463-465, (2013)
  • [3] TASKIN A A, LAVROV A N, YOICHI A., Achieving fast oxygen diffusion in perovskites by cation ordering, Appl Phys Lett, 86, 9, (2005)
  • [4] ZHOU Q J, WANG F, SHEN Y, Et al., Performances of LnBaCo<sub>2</sub>O<sub>5+x</sub>–Ce<sub>0.8</sub>Sm<sub>0.2</sub>O<sub>1.9</sub> composite cathodes for intermediate-temperature solid oxide fuel cells[J], J Power Sources, 195, 8, pp. 2174-2181, (2010)
  • [5] TARANCON A, PENA-MARTINEZ J, MARRERO-LOPEZ D, Et al., Stability, chemical compatibility and electrochemical performance of GdBaCo<sub>2</sub>O<sub>5+x</sub> layered perovskite as a cathode for intermediate temperature solid oxide fuel cells, Solid State Ion, 179, 40, pp. 2372-2378, (2008)
  • [6] LIM C, SENGODAN S, JEONG D, Et al., Investigation of the Fe doping effect on the B-site of the layered perovskite PrBa<sub>0.8</sub>Ca<sub>0.2</sub>Co<sub>2</sub>O<sub>5+δ</sub> for a promising cathode material of the intermediate-temperature solid oxide fuel cells[J], Int J Hydrog Energy, 44, 2, pp. 1088-1095, (2019)
  • [7] CHOI S, PARK S, SHIN J, Et al., The effect of calcium doping on the improvement of performance and durability in a layered perovskite cathode for intermediate-temperature solid oxide fuel cells, J Mater Chem A, 3, 11, pp. 6088-6095, (2015)
  • [8] YOO S, JUN A, JU Y W, Et al., Development of double-perovskite compounds as cathode materials for low-temperature solid oxide fuel cells, Angew Chem Int Ed, 53, 48, pp. 13064-13067, (2014)
  • [9] ZHANG R, LU Y, WEI L, Et al., Synthesis and conductivity properties of Gd<sub>0.8</sub>Ca<sub>0.2</sub>BaCo<sub>2</sub>O<sub>5+δ</sub> double perovskite by sol–gel combustion, J Mater Sci: Mater Electron, 26, 12, pp. 9941-9948, (2015)
  • [10] FU D W, JIN F J, HE T M., A-site calcium-doped Pr<sub>1−x</sub>Ca<sub>x</sub>BaCo<sub>2</sub>O<sub>5+</sub>δ double perovskites as cathodes for intermediate-temperature solid oxide fuel cells[J], J Power Sources, 313, pp. 134-141, (2016)
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