利用模拟非晶化和再结晶制备二氧化铈纳米颗粒的形状
Shape of CeO2 nanoparticles using simulated amorphisation and recrystallisation.
作者信息
Sayle Thi X T, Parker Stephen C, Sayle Dean C
机构信息
Dept. Environmental and Ordnance Systems, Cranfield University, RMCS, Shivenham, Swindon, UK.
出版信息
Chem Commun (Camb). 2004 Nov 7(21):2438-9. doi: 10.1039/b408752f. Epub 2004 Sep 21.
DOI:10.1039/b408752f
PMID:15514804
Abstract
Evolutionary simulation has been used to generate full atomistic models for CeO2 nanoparticles, which comprise [100]-truncated [111] octahedra in accord with experiments.
摘要
进化模拟已被用于生成CeO2纳米颗粒的全原子模型，这些模型由[100]截断的[111]八面体组成，与实验结果一致。
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