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

doi:10.1016/j.jpowsour.2018.11.053

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

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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:

^[1]; Hong, Chaoyu ^[1]; Guan, Xiaoyun ^[1]; Xiang, Yuxuan ^[1]; Liu, Xiangsi ^[1]; Xu, Gui-Liang ^[2]; Liu, Rui ^[1]; Zhong, Guiming ^[3]; Zheng, Feng ^[1]; Li, Yixiao ^[1]; Zhang, Xiaoyi ^[2]; Ren, Yang ^[2]; Chen, Zonghai ^[2];

^[4]; Yang, Yong ^[1]

Xiamen Univ. (China)
Argonne National Lab. (ANL), Lemont, IL (United States)
Chinese Academy of Sciences (CAS), Xiamen (China)
Argonne National Lab. (ANL), Lemont, IL (United States); Imam Abdulrahman Bin Faisal Univ. (Saudi Arabia)

Publication Date:: 2018-11-29

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.

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                    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.

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                    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.

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@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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DOI: 10.1016/j.jpowsour.2018.11.053

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