Numerical calculations of space charge layer effects in nanocrystalline ceria. Part I: comparison with the analytical models and derivation of improved analytical solutions.
Numerical calculations of space charge layer effects in nanocrystalline ceria. Part I: comparison with the analytical models and derivation of improved analytical solutions.
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纳米晶二氧化铈空间电荷层效应的数值计算。
DOI：
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
J. Maier
中科院分区：
文献类型：
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作者：
M. Göbel;G. Gregori;J. Maier
利用泊松方程的数值解，计算了CeO 2中一维空间电荷层（SCL）浓度分布。分析了纳米晶CeO 2的SCL电导率效应与掺杂含量（施主掺杂、纯氧化铈和受主掺杂氧化铈）和SCL电位的函数关系，不仅包括标准的Gouy-Chapman和Mott-Schottky情况，还包括更复杂的混合情况。数值方法的结果进行了比较与通常的解析近似。虽然对于理想的Gouy-Chapman和Mott-Schottky的情况下，中等和高电位的解析和数值解之间的协议被发现是令人满意的，混合的情况下，低电位的情况下不能可靠地处理使用标准的分析方法。最后，从数值解的启发，提出了改进的分析方程，发现一般会产生更精确的结果，甚至是准确的混合情况和低电位。
Using numerical solutions of the Poisson-equation, one dimensional space charge layer (SCL) concentration profiles in CeO2 are calculated. The SCL conductivity effects of nanocrystalline CeO2 are analyzed as a function of doping content (donor doped, pure and acceptor doped ceria) and SCL potential including not only the standard Gouy-Chapman and Mott-Schottky cases, but also the more complex mixed situations. The results of the numerical approach are compared with the usual analytical approximations. While for the ideal Gouy-Chapman and Mott-Schottky cases for moderate and high potentials the agreement between analytical and numerical solutions is found to be satisfactory, mixed cases and low potential situations cannot be reliably treated by using the standard analytical approaches. Finally, inspired from the numerical solutions, improved analytical equations are proposed which are found to generally yield much more precise results and are accurate even for the mixed situations and low potentials.