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Total scattering and the pair distribution function in crystallography
Crystallography Reviews ( IF 3 ) Pub Date : 2020-07-02 , DOI: 10.1080/0889311x.2020.1797708
David A. Keen 1
Affiliation  

The importance of total scattering and its Fourier transform, the pair distribution function, in crystallography was understood soon after it was shown that crystals diffract X-rays. However for the next fifty years or so other techniques based more firmly on the crystal lattice came to the fore and total scattering measurements were largely the domain of those studying liquid and amorphous structure. In the late 1980s it was ‘rediscovered’ as a way to uncover disorder within crystal structures and since then the combination of improved instrumentation and analysis has led to a resurgence of the total scattering method. This review sets out this journey, highlighting both the early origins and – more importantly – the ways that total scattering and pair distribution functions are routinely used within crystallography today.

中文翻译:

晶体学中的总散射和对分布函数

在晶体衍射 X 射线后不久,人们就理解了晶体学中总散射及其傅立叶变换(对分布函数)的重要性。然而,在接下来的五十年左右,其他更牢固地基于晶格的技术出现了,总散射测量主要是研究液体和无定形结构的领域。在 1980 年代后期,它被“重新发现”,作为揭示晶体结构内无序的一种方式,从那时起,改进的仪器和分析的结合导致了全散射方法的复兴。这篇综述阐述了这一旅程,重点介绍了早期起源以及——更重要的是——当今晶体学中常规使用总散射和对分布函数的方式。
更新日期:2020-07-02
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