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

Abstract

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.

Authors:
ORCiD logo [1];  [1];  [1];  [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1598495
Report Number(s):
BNL-213605-2020-JAAM
Journal ID: ISSN 1674-1056
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Chinese Physics. B
Additional Journal Information:
Journal Volume: 29; Journal Issue: 2; Journal ID: ISSN 1674-1056
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; battery materials; pair distribution function (PDF)

Citation Formats

Wang, Xuelong, Tan, Sha, Yang, Xiao-Qing, and Hu, Enyuan. Pair distribution function analysis: Fundamentals and application to battery materials. United States: N. p., 2019. Web. doi:10.1088/1674-1056/ab6656.
Wang, Xuelong, Tan, Sha, Yang, Xiao-Qing, & Hu, Enyuan. Pair distribution function analysis: Fundamentals and application to battery materials. United States. doi:10.1088/1674-1056/ab6656.
Wang, Xuelong, Tan, Sha, Yang, Xiao-Qing, and Hu, Enyuan. Tue . "Pair distribution function analysis: Fundamentals and application to battery materials". United States. doi:10.1088/1674-1056/ab6656. https://www.osti.gov/servlets/purl/1598495.
@article{osti_1598495,
title = {Pair distribution function analysis: Fundamentals and application to battery materials},
author = {Wang, Xuelong and Tan, Sha and Yang, Xiao-Qing and Hu, Enyuan},
abstractNote = {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.},
doi = {10.1088/1674-1056/ab6656},
journal = {Chinese Physics. B},
number = 2,
volume = 29,
place = {United States},
year = {2019},
month = {12}
}

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