Pair distribution function analysis: Fundamentals and application to battery materials

Wang, Xuelong; Tan, Sha; Yang, Xiao-Qing; Hu, Enyuan

doi:10.1088/1674-1056/ab6656

Title: Pair distribution function analysis: Fundamentals and application to battery materials

Journal Article · 31 December 2019 · Chinese Physics. B

DOI: https://doi.org/10.1088/1674-1056/ab6656 · OSTI ID:1598495

^[1]; Tan, Sha ^[1]; Yang, Xiao-Qing ^[1]; Hu, Enyuan ^[1]

Brookhaven National Lab. (BNL), Upton, NY (United States)

Battery materials are of key 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. Moreover, 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.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

Grant/Contract Number:: SC0012704

OSTI ID:: 1598495

Report Number(s):: BNL--213605-2020-JAAM

Journal Information:: Chinese Physics. B, Journal Name: Chinese Physics. B Journal Issue: 2 Vol. 29; ISSN 1674-1056

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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