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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Investigation of Mixed Conductor BaCo_(0.7)Fe_(0.3-x)Y_xO_(3-δ) with High Oxygen Permeability
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Investigation of Mixed Conductor BaCo_(0.7)Fe_(0.3-x)Y_xO_(3-δ) with High Oxygen Permeability

机译:高透氧性BaCo_(0.7)Fe_(0.3-x)Y_xO_(3-δ)混合导体的研究

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摘要

Cubic BaCo_(0.7)Fe_(0.3-x)Y_xO_(3-δ) (BCFY, × = 0.08-0.2) was prepared by the conventional solid state reaction route as oxygen permeation membranes. The effects of Y-doping on the crystal structure, electrical conductivity, and oxygen permeability are investigated, and the factors influencing the activation energy of oxygen migration are discussed from the viewpoints of metal-oxygen bonding energy and geometric lattice structure. Y-substitution decreases the electrical conductivity but increases the oxygen vacancy concentration of BCFY samples. Nevertheless, the oxygen permeability decreases with increasing Y-doping level. Both the strong Y-O bonding energy and the decreased critical radius (re) with Y-doping should be responsible for the increased activation energy. First principle calculation reveals that Y-doping results in the nonequivalent positions of the mobile oxygen ions and thus limits the oxygen ion diffusion passages. BaCo_(0.7)Fe_(0.3-x)Y_xO_(3-δ) membrane exhibits a high oxygen permeability of 1.73 mL min~(-1) cm~(-2) at 900 °C, thus being a promising candidate material for oxygen separation or POM applications.
机译:通过常规的固态反应路线作为氧气渗透膜制备了立方晶的BaCo_(0.7)Fe_(0.3-x)Y_xO_(3-δ)(BCFY,×= 0.08-0.2)。研究了Y掺杂对晶体结构,电导率和氧渗透性的影响,并从金属-氧键能和几何晶格结构的角度探讨了影响氧迁移活化能的因素。 Y取代会降低电导率,但会增加BCFY样品的氧空位浓度。然而,氧渗透率随着Y掺杂水平的增加而降低。强大的Y-O键结合能和因Y掺杂而降低的临界半径(re)都应与活化能的增加有关。第一原理计算表明,Y掺杂导致可移动氧离子的非等价位置,从而限制了氧离子的扩散通道。 BaCo_(0.7)Fe_(0.3-x)Y_xO_(3-δ)膜在900°C时表现出1.73 mL min〜(-1)cm〜(-2)的高透氧性,因此是有希望的氧气候选材料分离或POM应用程序。

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