Analyzing the grain‐boundary resistance of oxide‐ion conducting electrolytes: Poisson‐Cahn vs Poisson‐Boltzmann theories
Analyzing the grain‐boundary resistance of oxide‐ion conducting electrolytes: Poisson‐Cahn vs Poisson‐Boltzmann theories
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DOI：
10.1111/jace.16716
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发表时间：
2019-09
影响因子：
3.9
通讯作者：
X. Tong;D. Mebane;R. D. De Souza
中科院分区：
文献类型：
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作者：
X. Tong;D. Mebane;R. D. De Souza
晶体氧化物的电响应通常是由系统的点缺陷和界面之间的相互作用决定的。例如，带电荷的点缺陷在晶界上的偏析会导致晶界产生静电电荷，并在相邻的体相中形成空间电荷区，以保持整体电中性。这种带电点缺陷的重新分布可能会使边界附近的局部点缺陷浓度改变许多数量级，因此，它可能会产生相对于体相具有高导电性或高电阻性的晶界。突变核|空间电荷模型1 - 8目前代表了复合氧化物晶界空间电荷层的标准处理方法。它本质上是一个两相模型，其中晶界核心相夹在两块大块材料之间，晶界核心是两个晶粒之间的结构扰动区域。(由于晶界核心具有有限宽度和不同的热力学量，并且由于它是（部分）接收：2019年3月8日|修订：2019年7月22日|接受：2019年7月22日DOI: 10.1111/jace.16716
The electrical response of a crystalline oxide is often governed by interactions between the system's point defects and its interfaces. The segregation of charged point‐defects to a grain boundary, for instance, results in the grain boundary becoming electrostatically charged and space‐charge zones forming in the adjacent bulk phase to preserve global electroneutrality. This re‐distribution of charged point‐defects may alter local point‐defect concentrations in the vicinity of a boundary by many orders of magnitude, and thus, it may give rise to grain boundaries that are, relative to the bulk phase, highly conductive or highly resistive. The abrupt core|space‐charge model1‒8 currently represents the standard treatment of space‐charge layers at grain boundaries in complex oxides. It is essentially a two‐phase model, in which a grain‐boundary core phase is sandwiched between two slabs of bulk material, the grain‐boundary core being the structurally perturbed region between the two grains. (Since the grain‐boundary core is characterized by a finite width and by a distinct set of thermodynamic quantities, and since it is in (partial) Received: 8 March 2019 | Revised: 22 July 2019 | Accepted: 22 July 2019 DOI: 10.1111/jace.16716