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首页> 外文期刊>RSC Advances >Ga-doped Ca12Al14O33 mayenite oxide ion conductors: synthesis, defects, and electrical properties
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Ga-doped Ca12Al14O33 mayenite oxide ion conductors: synthesis, defects, and electrical properties

机译：Ga掺杂的Ca12Al14O33钙铝石氧化物离子导体：合成，缺陷和电性能

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摘要

Although mayenite Ca _(12) Al _(14) O _(33) has been known as an oxygen ion conductor for several decades, its relatively low oxide ion conductivity limits its applications in electrochemical devices. Thus, many efforts have been made by researchers, employing a doping strategy, in order to further improve its ionic conductivity, but with little success. In this work, a series of pure phase Ca _(12) Al _(14? x ) Ga _( x ) O _(33+ δ ) (0 ≤ x ≤ 1.2) materials were synthesized by a traditional solid state reaction method. Scanning electron microscopy (SEM) combined with energy dispersion spectrum (EDS) analyses disclosed well-sintered ceramics with uniform Ga distributions. The defect formation energies for Ga replacing the two distinguishable Al1 and Al2 sites in Ca _(12) Al _(14) O _(33) calculated by static lattice atomistic simulation are nearly identical, ～3.03 and ～3.04 eV, respectively, consistent with the results of Rietveld refinements based on the XRD data, from which no preferred distribution of Ga on Al1 or Al2 site was observed. The electrical properties investigated by alternating current (AC) impedance spectroscopy show increased bulk conductivities for 0 ≤ x ≤ 0.4. Thus, here we present the first work that successfully improves the bulk oxide ion conductivity of Ca _(12) Al _(14) O _(33) by Ga-doping.
机译：尽管钙铝石Ca _（12）Al _（14）O _（33）几十年来一直被认为是氧离子导体，但其相对较低的氧化物电导率限制了其在电化学装置中的应用。因此，研究人员已经做出许多努力，采用掺杂策略，以进一步提高其离子电导率，但是收效甚微。在这项工作中，通过传统的固态反应方法合成了一系列纯相Ca _（12）Al _（14？x）Ga _（x）O _（33+δ）（0≤x≤1.2）材料。扫描电子显微镜（SEM）与能量色散谱（EDS）分析相结合，揭示了具有均匀Ga分布的烧结良好的陶瓷。通过静态晶格原子模拟计算出的Ga替代Ca _（12）Al _（14）O _（33）中两个可区分的Al1和Al2位点的缺陷形成能几乎相同，分别为〜3.03和〜3.04 eV，一致基于X射线衍射数据的Rietveld精炼结果，未观察到Ga在Al1或Al2位置上的优选分布。通过交流（AC）阻抗谱研究的电性能表明，对于0≤x≤0.4，其体积电导率增加。因此，在这里，我们介绍了通过Ga掺杂成功提高Ca _（12）Al _（14）O _（33）的体氧化物离子电导率的第一项工作。

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