Cationic Surface Reconstructions on Cerium Oxide Nanocrystals: An Aberration-Corrected HRTEM Study
Cationic Surface Reconstructions on Cerium Oxide Nanocrystals: An Aberration-Corrected HRTEM Study
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DOI：
10.1021/nn2037576
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发表时间：
2012-01-01
期刊：
影响因子：
17.1
通讯作者：
Moebus, Guenter
中科院分区：
文献类型：
--
作者：
Bhatta, Umananda M.;Ross, Ian M.;Moebus, Guenter
纳米氧化铈表面刻面的不稳定性在原子水平上检查。电子束及其诱导的原子迁移被提出作为一个现成的探针来模拟和量化功能表面活性，这是至关重要的，例如，催化性能。原位相衬高分辨率透射电子显微镜与球差校正被证明是理想的工具来分析阳离子重建。探索了具有特别增强的{100}表面暴露的水热制备的二氧化铈纳米颗粒。阳离子重建的实验分析支持分子动力学模拟，其中的马德隆能量被证明是直接相关的结合能，这使得人们能够生成一个直观的表示的“活性”表面氧的分布。
Instabilities of nanoscale ceria surface facets are examined on the atomic level. The electron beam and its induced atom migration are proposed as a readily available probe to emulate and quantify functional surface activity, which is crucial for, for example, catalytic performance. In situ phase contrast high-resolution transmission electron microscopy with spherical aberration correction is shown to be the ideal tool to analyze cationic reconstruction. Hydrothermally prepared ceria nanoparticles with particularly enhanced {100} surface exposure are explored. Experimental analysis of cationic reconstruction is supported by molecular dynamics simulations where the Madelung energy is shown to be directly related to the binding energy, which enables one to generate a visual representation of the distribution of "reactive" surface oxygen.