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Chin. Phys. B, 2020, Vol. 29(2): 028802    DOI: 10.1088/1674-1056/ab6656
Special Issue: TOPICAL REVIEW — Advanced calculation & characterization of energy storage materials & devices at multiple scale
TOPICAL REVIEW—Advanced calculation & characterization of energy storage materials & devices at multiple scale Prev   Next  

Pair distribution function analysis: Fundamentals and application to battery materials

Xuelong Wang(王雪龙), Sha Tan(谭莎), Xiao-Qing Yang(杨晓青), Enyuan Hu(胡恩源)
Chemistry Division, Brookhaven National Laboratory, Upton 11973, USA
Abstract  Battery materials are of vital importance in powering a clean and sustainable society. Improving their performance relies on a clear and fundamental understanding of their properties, in particular, structural properties. Pair distribution function (PDF) analysis, which takes into account both Bragg scattering and diffuse scattering, can probe structures of both crystalline and amorphous phases in battery materials. This review first introduces the principle of PDF, followed by its application in battery materials. It shows that PDF is an effective tool in studying a series of key scientific topics in battery materials. They range from local ordering, nano-phase quantification, anion redox reaction, to lithium storage mechanism, and so on.
Keywords:  battery materials      pair distribution function (PDF)  
Received:  20 November 2019      Revised:  29 December 2019      Accepted manuscript online: 
PACS:  88.80.ff (Batteries)  
Corresponding Authors:  Enyuan Hu     E-mail:

Cite this article: 

Xuelong Wang(王雪龙), Sha Tan(谭莎), Xiao-Qing Yang(杨晓青), Enyuan Hu(胡恩源) Pair distribution function analysis: Fundamentals and application to battery materials 2020 Chin. Phys. B 29 028802

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