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Title: Correlation between long range and local structural changes in Ni-rich layered materials during charge and discharge process

Abstract

Ni-rich cathode materials can deliver higher energy density with a lower cost compared with other conventional layered oxide materials. However, the cycling performance of Ni-rich materials needs further improvement, and the irreversible phase transformation related to the cell failure is not fully understood yet. Although an H1-H2-H3 structural change process is revealed, a more specific explanation about the difference of these hexagonal phases is needed for deeper comprehension and further targeted modification of Ni-rich materials. In this work, the different phase transformation mechanisms of LiNi 0.6Co 0.2Mn 0.2O 2 (NCM622) and LiNi 0.8Co 0.1Mn 0.1O 2 (NCM811) are investigated by C X-ray diffraction (XRD) measurement, and the relationship between structural change and capacity degradation is discussed, showing that H3 phase can be harmful for cycling. In addition, Li-6 solid state nuclear magnetic resonance (ss-NMR) experiments are carried out for detecting the Li chemical environment at different state of charge, and the data can be associated with structural change obtained from in operando XRD results. From the analysis mentioned above, a new explanation of H1/H2/H3 is given, and a relationship between long range and local structural change has been put forward for the first time.

Authors:
ORCiD logo [1];  [1];  [1];  [1];  [1];  [2];  [1];  [3];  [1];  [1];  [2];  [2];  [2]; ORCiD logo [4];  [1]
  1. Xiamen Univ. (China)
  2. Argonne National Lab. (ANL), Lemont, IL (United States)
  3. Chinese Academy of Sciences (CAS), Xiamen (China)
  4. Argonne National Lab. (ANL), Lemont, IL (United States); Imam Abdulrahman Bin Faisal Univ. (Saudi Arabia)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Key Research and Development Program of China; National Natural Science Foundation of China (NNSFC); USDOE Office of Energy Efficiency and Renewable Energy (EERE) - Office of Vehicle Technologies (VTO) - Battery Materials Research (BMR) Program
OSTI Identifier:
1546614
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Power Sources
Additional Journal Information:
Journal Volume: 412; Journal Issue: C; Journal ID: ISSN 0378-7753
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Li local environment; Ni-rich materials; in operando XRD; solid-state NMR; structural change

Citation Formats

Zheng, Shiyao, Hong, Chaoyu, Guan, Xiaoyun, Xiang, Yuxuan, Liu, Xiangsi, Xu, Gui-Liang, Liu, Rui, Zhong, Guiming, Zheng, Feng, Li, Yixiao, Zhang, Xiaoyi, Ren, Yang, Chen, Zonghai, Amine, Khalil, and Yang, Yong. Correlation between long range and local structural changes in Ni-rich layered materials during charge and discharge process. United States: N. p., 2018. Web. doi:10.1016/j.jpowsour.2018.11.053.
Zheng, Shiyao, Hong, Chaoyu, Guan, Xiaoyun, Xiang, Yuxuan, Liu, Xiangsi, Xu, Gui-Liang, Liu, Rui, Zhong, Guiming, Zheng, Feng, Li, Yixiao, Zhang, Xiaoyi, Ren, Yang, Chen, Zonghai, Amine, Khalil, & Yang, Yong. Correlation between long range and local structural changes in Ni-rich layered materials during charge and discharge process. United States. doi:10.1016/j.jpowsour.2018.11.053.
Zheng, Shiyao, Hong, Chaoyu, Guan, Xiaoyun, Xiang, Yuxuan, Liu, Xiangsi, Xu, Gui-Liang, Liu, Rui, Zhong, Guiming, Zheng, Feng, Li, Yixiao, Zhang, Xiaoyi, Ren, Yang, Chen, Zonghai, Amine, Khalil, and Yang, Yong. Thu . "Correlation between long range and local structural changes in Ni-rich layered materials during charge and discharge process". United States. doi:10.1016/j.jpowsour.2018.11.053. https://www.osti.gov/servlets/purl/1546614.
@article{osti_1546614,
title = {Correlation between long range and local structural changes in Ni-rich layered materials during charge and discharge process},
author = {Zheng, Shiyao and Hong, Chaoyu and Guan, Xiaoyun and Xiang, Yuxuan and Liu, Xiangsi and Xu, Gui-Liang and Liu, Rui and Zhong, Guiming and Zheng, Feng and Li, Yixiao and Zhang, Xiaoyi and Ren, Yang and Chen, Zonghai and Amine, Khalil and Yang, Yong},
abstractNote = {Ni-rich cathode materials can deliver higher energy density with a lower cost compared with other conventional layered oxide materials. However, the cycling performance of Ni-rich materials needs further improvement, and the irreversible phase transformation related to the cell failure is not fully understood yet. Although an H1-H2-H3 structural change process is revealed, a more specific explanation about the difference of these hexagonal phases is needed for deeper comprehension and further targeted modification of Ni-rich materials. In this work, the different phase transformation mechanisms of LiNi0.6Co0.2Mn0.2O2 (NCM622) and LiNi0.8Co0.1Mn0.1O2 (NCM811) are investigated by C X-ray diffraction (XRD) measurement, and the relationship between structural change and capacity degradation is discussed, showing that H3 phase can be harmful for cycling. In addition, Li-6 solid state nuclear magnetic resonance (ss-NMR) experiments are carried out for detecting the Li chemical environment at different state of charge, and the data can be associated with structural change obtained from in operando XRD results. From the analysis mentioned above, a new explanation of H1/H2/H3 is given, and a relationship between long range and local structural change has been put forward for the first time.},
doi = {10.1016/j.jpowsour.2018.11.053},
journal = {Journal of Power Sources},
number = C,
volume = 412,
place = {United States},
year = {2018},
month = {11}
}

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