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arXiv 1404.3036cond-mat.mtrl-sciphysics.chem-ph
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二氧化铈共掺杂:协同效应还是平均效应?

Ceria co-doping: Synergistic or average effect?

Mario Burbano, Sian Nadin, Dario Marrocchelli, Mathieu Salanne, Graeme W. Watson

摘要:

二氧化铈(CeO $_{2}$)共掺杂已被建议作为实现显著高于单掺杂体系中的离子电导率的手段。在过去十年中,人们对这一主题重新燃起了兴趣,人们声称性能得到了很大的改善。本研究利用计算机模拟研究稀土(RE)掺杂氧化铈的体离子电导率,其中RE = Sc,Gd,Sm,Nd和La。从单掺杂系统的结果进行了比较,那些从二氧化铈共掺杂Nd/Sm和Sc/La。出现从电导率数据的图案是一致的局部晶格应变从个别缺陷的主导地位,而不是最近报道的协同共掺杂效应,因此没有增强共掺杂样品的电导率观察。

英文摘要:

Ceria (CeO$_{2}$) co-doping has been suggested as a means to achieve ionic conductivities that are significantly higher than those in singly-doped systems. Rekindled interest in this topic over the last decade has given rise to claims of much improved performance. The present study makes use of computer simulations to investigate the bulk ionic conductivity of Rare Earth (RE) doped ceria, where RE = Sc, Gd, Sm, Nd and La. The results from the singly doped systems are compared to those from ceria co-doped with Nd/Sm and Sc/La. The pattern that emerges from the conductivity data is consistent with the dominance of local lattice strains from individual defects, rather than the synergistic co-doping effect reported recently and, as a result no enhancement in the conductivity of co-doped samples is observed.

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