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Title: Thermal stress-induced charge and structure heterogeneity in emerging cathode materials

Abstract

Nickel-rich layered oxide cathode materials are attractive near-term candidates for boosting the energy density of next generation lithium-ion batteries. The practical implementation of these materials is, however, hindered by unsatisfactory capacity retention, poor thermal stability, and oxygen release as a consequence of structural decomposition, which may have serious safety consequences. The undesired side reactions are often exothermic, causing complicated electro-chemo-mechanical interplay at elevated temperatures. In this work, we explore the effects of thermal exposure on chemically delithiated LiNi0.8Mn0.1Co0.1O2 (NMC-811) at a practical state-of-charge (50% Li content) and an over-charged state (25% Li content). A systematic study using a suite of advanced synchrotron radiation characterization tools reveals the dynamics of thermal behavior of the charged NMC-811, which involves sophisticated structural and chemical evolution; e.g. lattice phase transformation, transition metal (TM) cation migration and valence change, and lithium redistribution. These intertwined processes exhibit a complex 3D spatial heterogeneity and, collectively, form a valence state gradient throughout the particles. Our study sheds light on the response of NMC-811 to elevated temperature and highlights the importance of the cathode's thermal robustness for battery performance and safety.

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1580280
Alternate Identifier(s):
OSTI ID: 1601214; OSTI ID: 1638171
Grant/Contract Number:  
AC02-05CH11231; AC02-76SF00515
Resource Type:
Published Article
Journal Name:
Materials Today
Additional Journal Information:
Journal Name: Materials Today; Journal ID: ISSN 1369-7021
Publisher:
Elsevier
Country of Publication:
United Kingdom
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Alvarado, Judith, Wei, Chenxi, Nordlund, Dennis, Kroll, Thomas, Sokaras, Dimosthenis, Tian, Yangchao, Liu, Yijin, and Doeff, Marca M. Thermal stress-induced charge and structure heterogeneity in emerging cathode materials. United Kingdom: N. p., 2019. Web. doi:10.1016/j.mattod.2019.11.009.
Alvarado, Judith, Wei, Chenxi, Nordlund, Dennis, Kroll, Thomas, Sokaras, Dimosthenis, Tian, Yangchao, Liu, Yijin, & Doeff, Marca M. Thermal stress-induced charge and structure heterogeneity in emerging cathode materials. United Kingdom. doi:10.1016/j.mattod.2019.11.009.
Alvarado, Judith, Wei, Chenxi, Nordlund, Dennis, Kroll, Thomas, Sokaras, Dimosthenis, Tian, Yangchao, Liu, Yijin, and Doeff, Marca M. Sun . "Thermal stress-induced charge and structure heterogeneity in emerging cathode materials". United Kingdom. doi:10.1016/j.mattod.2019.11.009.
@article{osti_1580280,
title = {Thermal stress-induced charge and structure heterogeneity in emerging cathode materials},
author = {Alvarado, Judith and Wei, Chenxi and Nordlund, Dennis and Kroll, Thomas and Sokaras, Dimosthenis and Tian, Yangchao and Liu, Yijin and Doeff, Marca M.},
abstractNote = {Nickel-rich layered oxide cathode materials are attractive near-term candidates for boosting the energy density of next generation lithium-ion batteries. The practical implementation of these materials is, however, hindered by unsatisfactory capacity retention, poor thermal stability, and oxygen release as a consequence of structural decomposition, which may have serious safety consequences. The undesired side reactions are often exothermic, causing complicated electro-chemo-mechanical interplay at elevated temperatures. In this work, we explore the effects of thermal exposure on chemically delithiated LiNi0.8Mn0.1Co0.1O2 (NMC-811) at a practical state-of-charge (50% Li content) and an over-charged state (25% Li content). A systematic study using a suite of advanced synchrotron radiation characterization tools reveals the dynamics of thermal behavior of the charged NMC-811, which involves sophisticated structural and chemical evolution; e.g. lattice phase transformation, transition metal (TM) cation migration and valence change, and lithium redistribution. These intertwined processes exhibit a complex 3D spatial heterogeneity and, collectively, form a valence state gradient throughout the particles. Our study sheds light on the response of NMC-811 to elevated temperature and highlights the importance of the cathode's thermal robustness for battery performance and safety.},
doi = {10.1016/j.mattod.2019.11.009},
journal = {Materials Today},
number = ,
volume = ,
place = {United Kingdom},
year = {2019},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1016/j.mattod.2019.11.009

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