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Charge distribution guided by grain crystallographic orientations in polycrystalline battery materials

Author

Listed:
  • Zhengrui Xu

    (Virginia Tech)

  • Zhisen Jiang

    (SLAC National Accelerator Laboratory)

  • Chunguang Kuai

    (Virginia Tech
    Tianjin University)

  • Rong Xu

    (Purdue University)

  • Changdong Qin

    (Beijing University of Technology)

  • Yan Zhang

    (SLAC National Accelerator Laboratory
    Tianjin University)

  • Muhammad Mominur Rahman

    (Virginia Tech)

  • Chenxi Wei

    (SLAC National Accelerator Laboratory)

  • Dennis Nordlund

    (SLAC National Accelerator Laboratory)

  • Cheng-Jun Sun

    (Argonne National Laboratory)

  • Xianghui Xiao

    (Brookhaven National Laboratory)

  • Xi-Wen Du

    (Tianjin University)

  • Kejie Zhao

    (Purdue University)

  • Pengfei Yan

    (Beijing University of Technology)

  • Yijin Liu

    (SLAC National Accelerator Laboratory)

  • Feng Lin

    (Virginia Tech)

Abstract

Architecting grain crystallographic orientation can modulate charge distribution and chemomechanical properties for enhancing the performance of polycrystalline battery materials. However, probing the interplay between charge distribution, grain crystallographic orientation, and performance remains a daunting challenge. Herein, we elucidate the spatially resolved charge distribution in lithium layered oxides with different grain crystallographic arrangements and establish a model to quantify their charge distributions. While the holistic “surface-to-bulk” charge distribution prevails in polycrystalline particles, the crystallographic orientation-guided redox reaction governs the charge distribution in the local charged nanodomains. Compared to the randomly oriented grains, the radially aligned grains exhibit a lower cell polarization and higher capacity retention upon battery cycling. The radially aligned grains create less tortuous lithium ion pathways, thus improving the charge homogeneity as statistically quantified from over 20 million nanodomains in polycrystalline particles. This study provides an improved understanding of the charge distribution and chemomechanical properties of polycrystalline battery materials.

Suggested Citation

  • Zhengrui Xu & Zhisen Jiang & Chunguang Kuai & Rong Xu & Changdong Qin & Yan Zhang & Muhammad Mominur Rahman & Chenxi Wei & Dennis Nordlund & Cheng-Jun Sun & Xianghui Xiao & Xi-Wen Du & Kejie Zhao & Pe, 2020. "Charge distribution guided by grain crystallographic orientations in polycrystalline battery materials," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    • Handle: RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-019-13884-x
    DOI: 10.1038/s41467-019-13884-x
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    Cited by:

    1. Isaac Martens & Nikita Vostrov & Marta Mirolo & Steven J. Leake & Edoardo Zatterin & Xiaobo Zhu & Lianzhou Wang & Jakub Drnec & Marie-Ingrid Richard & Tobias U. Schulli, 2023. "Defects and nanostrain gradients control phase transition mechanisms in single crystal high-voltage lithium spinel," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    2. Lv, Yao & Huang, Shifei & Zhao, Yufeng & Roy, Swagata & Lu, Xionggang & Hou, Yanglong & Zhang, Jiujun, 2022. "A review of nickel-rich layered oxide cathodes: synthetic strategies, structural characteristics, failure mechanism, improvement approaches and prospects," Applied Energy, Elsevier, vol. 305(C).
    3. Dong Hou & Zhengrui Xu & Zhijie Yang & Chunguang Kuai & Zhijia Du & Cheng-Jun Sun & Yang Ren & Jue Liu & Xianghui Xiao & Feng Lin, 2022. "Effect of the grain arrangements on the thermal stability of polycrystalline nickel-rich lithium-based battery cathodes," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    4. Zhichen Xue & Nikhil Sharma & Feixiang Wu & Piero Pianetta & Feng Lin & Luxi Li & Kejie Zhao & Yijin Liu, 2023. "Asynchronous domain dynamics and equilibration in layered oxide battery cathode," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    5. Hanwen An & Menglu Li & Qingsong Liu & Yajie Song & Jiaxuan Liu & Zhihang Yu & Xingjiang Liu & Biao Deng & Jiajun Wang, 2024. "Strong Lewis-acid coordinated PEO electrolyte achieves 4.8 V-class all-solid-state batteries over 580 Wh kg−1," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    6. Ziyao Gao & Chenglong Zhao & Kai Zhou & Junru Wu & Yao Tian & Xianming Deng & Lihan Zhang & Kui Lin & Feiyu Kang & Lele Peng & Marnix Wagemaker & Baohua Li, 2024. "Kirkendall effect-induced uniform stress distribution stabilizes nickel-rich layered oxide cathodes," Nature Communications, Nature, vol. 15(1), pages 1-11, December.

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