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Title: In situ soft XAS study on nickel-based layered cathode material at elevated temperatures: A novel approach to study thermal stability

Abstract

Tracking thermally induced reactions has always been challenging for electrode materials of electrochemical battery systems. Traditionally, a variety of calorimetric techniques and in situ XRD at elevated temperatures has been used to evaluate the thermal stability of electrode materials. These techniques are capable of providing variations in heat capacity, mass and average bulk composition of materials only. Herein, we report investigation of thermal characteristics of Li0.33Ni0.8Co0.15Al0.05O2 by using in situ soft XAS measurements in combination with XRD. Fluorescence yield and partial electron yield measurements are used simultaneously to obtain element selective surface and bulk information. Fluorescence yield measurements reveal no energy change of the absorption peak and thus no valence state change in the bulk. However, electron yield measurements indicate that NiO-type rock salt structure is formed at the surface at temperatures above 200 degrees C while no evidence for a surface reaction near Co sites in investigated temperature range is found. These results clearly show that in situ soft XAS can give a unique understanding of the role of each element in the structural transformation under thermal abuse offering a useful guidance in developing new battery system with improved safety performance.

Authors:
 [1];  [2];  [1];  [1];  [1];  [1];  [1];  [3];  [3];  [4];  [5]
+ Show Author Affiliations
  1. Sungkyunkwan University (Korea, Republic of)
  2. Brookhaven National Laboratory (BNL), Upton, NY (United States)
  3. National Institute of Standards and Technology (NIST), Gaithersburg, MD (United States)
  4. Argonne National Laboratory (United States). Advanced Proton Source (APS)
  5. Dongguk University-Seoul (Korea, Republic of)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source; Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); KETEP; KEIT
OSTI Identifier:
1169028
Alternate Identifier(s):
OSTI ID: 1223360; OSTI ID: 1393965
Report Number(s):
BNL-107187-2014-JA
Journal ID: ISSN 2045-2322; KC0207010
Grant/Contract Number:  
SC0012704; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 4; Journal Issue: 29; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; LITHIUM ION BATTERY; THERMAL STABILITY; SYNCHROTRON BASED CHARACTERIZATION TECHNIQUES; SOFT XAS; NSLS; S YNCHR O TRON BASED CHARACTERIZATION TEC HNIQUES

Citation Formats

Yoon, Won -Sub, Yang, Xiao -Qing, Haas, Otto, Muhammad, Shoaib, Kim, Hyunchul, Lee, Wontae, Kim, Donghwi, Fischer, Daniel A., Jaye, Cherno, Balasubramanian, Mahalingam, and Nam, Kyung -Wan. In situ soft XAS study on nickel-based layered cathode material at elevated temperatures: A novel approach to study thermal stability. United States: N. p., 2014. Web. doi:10.1038/srep06827.
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Yoon, Won -Sub, Yang, Xiao -Qing, Haas, Otto, Muhammad, Shoaib, Kim, Hyunchul, Lee, Wontae, Kim, Donghwi, Fischer, Daniel A., Jaye, Cherno, Balasubramanian, Mahalingam, & Nam, Kyung -Wan. In situ soft XAS study on nickel-based layered cathode material at elevated temperatures: A novel approach to study thermal stability. United States. https://doi.org/10.1038/srep06827
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Yoon, Won -Sub, Yang, Xiao -Qing, Haas, Otto, Muhammad, Shoaib, Kim, Hyunchul, Lee, Wontae, Kim, Donghwi, Fischer, Daniel A., Jaye, Cherno, Balasubramanian, Mahalingam, and Nam, Kyung -Wan. Wed . "In situ soft XAS study on nickel-based layered cathode material at elevated temperatures: A novel approach to study thermal stability". United States. https://doi.org/10.1038/srep06827. https://www.osti.gov/servlets/purl/1169028.
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@article{osti_1169028,
title = {In situ soft XAS study on nickel-based layered cathode material at elevated temperatures: A novel approach to study thermal stability},
author = {Yoon, Won -Sub and Yang, Xiao -Qing and Haas, Otto and Muhammad, Shoaib and Kim, Hyunchul and Lee, Wontae and Kim, Donghwi and Fischer, Daniel A. and Jaye, Cherno and Balasubramanian, Mahalingam and Nam, Kyung -Wan},
abstractNote = {Tracking thermally induced reactions has always been challenging for electrode materials of electrochemical battery systems. Traditionally, a variety of calorimetric techniques and in situ XRD at elevated temperatures has been used to evaluate the thermal stability of electrode materials. These techniques are capable of providing variations in heat capacity, mass and average bulk composition of materials only. Herein, we report investigation of thermal characteristics of Li0.33Ni0.8Co0.15Al0.05O2 by using in situ soft XAS measurements in combination with XRD. Fluorescence yield and partial electron yield measurements are used simultaneously to obtain element selective surface and bulk information. Fluorescence yield measurements reveal no energy change of the absorption peak and thus no valence state change in the bulk. However, electron yield measurements indicate that NiO-type rock salt structure is formed at the surface at temperatures above 200 degrees C while no evidence for a surface reaction near Co sites in investigated temperature range is found. These results clearly show that in situ soft XAS can give a unique understanding of the role of each element in the structural transformation under thermal abuse offering a useful guidance in developing new battery system with improved safety performance.},
doi = {10.1038/srep06827},
journal = {Scientific Reports},
number = 29,
volume = 4,
place = {United States},
year = {Wed Oct 29 00:00:00 EDT 2014},
month = {Wed Oct 29 00:00:00 EDT 2014}
}
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Publisher's Version of Record
https://doi.org/10.1038/srep06827
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Works referenced in this record:

Oxygen Contribution on Li-Ion Intercalation−Deintercalation in LiCoO 2 Investigated by O K-Edge and Co L-Edge X-ray Absorption Spectroscopy
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Soft X-Ray Absorption Spectroscopic Study of a LiNi[sub 0.5]Mn[sub 0.5]O[sub 2] Cathode during Charge
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    Works referencing / citing this record:

    Review of Recent Development of In Situ/Operando Characterization Techniques for Lithium Battery Research
    journal, May 2019

    • Liu, Dongqing; Shadike, Zulipiya; Lin, Ruoqian
    • Advanced Materials, Vol. 31, Issue 28
    • DOI: 10.1002/adma.201806620

    In-operando high-speed tomography of lithium-ion batteries during thermal runaway
    journal, April 2015

    • Finegan, Donal P.; Scheel, Mario; Robinson, James B.
    • Nature Communications, Vol. 6, Issue 1
    • DOI: 10.1038/ncomms7924

    Empowering multicomponent cathode materials for sodium ion batteries by exploring three-dimensional compositional heterogeneities
    journal, January 2018

    • Rahman, Muhammad Mominur; Xu, Yahong; Cheng, Hao
    • Energy & Environmental Science, Vol. 11, Issue 9
    • DOI: 10.1039/c8ee00309b

    Thermally-driven mesopore formation and oxygen release in delithiated NCA cathode particles
    journal, January 2019

    • Besli, Münir M.; Shukla, Alpesh Khushalchand; Wei, Chenxi
    • Journal of Materials Chemistry A, Vol. 7, Issue 20
    • DOI: 10.1039/c9ta01720h

    Long-term chemothermal stability of delithiated NCA in polymer solid-state batteries
    journal, January 2019

    • Besli, Münir M.; Usubelli, Camille; Metzger, Michael
    • Journal of Materials Chemistry A, Vol. 7, Issue 47
    • DOI: 10.1039/c9ta11103d

    Using in situ and operando methods to characterize phase changes in charged lithium nickel cobalt aluminum oxide cathode materials
    journal, January 2020

    Structural Relaxation of Li x Ni 0.874 Co 0.090 Al 0.036 O 2 after Lithium Extraction down to (x ≤ 0.12)
    journal, December 2018

    • Kang, Jian; Takai, Shigeomi; Yabutsuka, Takeshi
    • Journal of The Electrochemical Society, Vol. 166, Issue 3
    • DOI: 10.1149/2.0211903jes

    Long-Term Chemothermal Stability of Delithiated NCA in Polymer Solid-State Batteries
    text, January 2019

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