Finite size effects of nanoparticles on the atomic pair distribution functions

Finite size effects of nanoparticles on the atomic pair distribution functions
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DOI:
10.1107/s0108767306034635
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发表时间:
2006-11-01
影响因子:
1.8
通讯作者:
Shamoto, Shin-ichi
Shamoto, Shin-ichi
中科院分区:
材料科学3区
文献类型:
--
作者:
Kodama, Katsuaki;Iikubo, Satoshi;Shamoto, Shin-ichi

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在连续介质假设下,通过计算片状、带状、棒状、管状和球形纳米粒子的径向分布函数,讨论了纳米粒子的有限尺寸效应对原子对分布函数的影响。它们的特性取决于纳米颗粒的形状和尺寸。考虑到这种影响的PDF分析的公式,并发现再现的实验数据。
The finite size effects of nanoparticles on the atomic pair distribution functions (PDF) are discussed by calculating the radial distribution functions (RDF) on nanoparticles with various shapes, such as sheet, belt, rod, tube and sphere, assuming continua. Their characteristics are shown depending on the shapes and the sizes of the nanoparticles. The formulas of a PDF analysis which take account of such effects are presented and are found to reproduce the experimental data.