Abstract A high CO2-tolerance oxygen permeation membrane BaFe0.95-xCa0.05TixO3-δ (BFCT, x = 0.05–0.15) was designed and prepared. Single cubic perovskite phase can be maintained up to the doping level x = 0.15. The Ti substitution enhances significantly the CO2 tolerance and improve the structural stability under H2 containing atmosphere of BFCT materials. With increasing Ti doping level, the oxygen vacancy concentration decreases and the oxygen ion migration energy increases, leading to a slight decrease in oxygen permeability of BFCT materials. Nevertheless, the sample BaFe0.8Ca0.05Ti0.15O3-δ delivers a high oxygen permeation flux of 1.02 mL min−1 cm−2 at 950 °C for 1 mm thick membrane. The Ti substitution alleviates the lattice oxygen loss and reduces the thermal expansion coefficient of BFCT. A combination study of experimental measurements and first principles calculation was conducted to advance the understanding of Ti effects on the electrical conductivity behavior in BFCT. The BFCT membranes show an excellent long-term operation stability. The high oxygen permeability, good structural stability under CO2 and reducing atmosphere make the BFCT (x = 0.15) a promising membrane for oxygen separation applications.

中文翻译：

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高 CO 2 耐受氧渗透膜 BaFe 0.95-x Ca 0.05 Ti x O 3-δ

摘要 设计并制备了一种高 CO2 耐受性透氧膜 BaFe0.95-xCa0.05TixO3-δ (BFCT, x = 0.05–0.15)。单个立方钙钛矿相可以保持到掺杂水平 x = 0.15。Ti取代显着提高了BFCT材料在含H2气氛下的CO2耐受性和结构稳定性。随着Ti掺杂量的增加，氧空位浓度降低，氧离子迁移能增加，导致BFCT材料的透氧率略有下降。然而，样品 BaFe0.8Ca0.05Ti0.15O3-δ 在 950 °C 下为 1 mm 厚的膜提供了 1.02 mL min-1 cm-2 的高氧渗透通量。Ti取代减轻了晶格氧损失并降低了BFCT的热膨胀系数。进行了实验测量和第一性原理计算的组合研究，以促进对 Ti 对 BFCT 中电导率行为的影响的理解。BFCT 膜显示出优异的长期运行稳定性。高透氧性、在 CO2 和还原气氛下良好的结构稳定性使 BFCT (x = 0.15) 成为用于氧气分离应用的有前途的膜。