Insights into the Structural and Thermodynamic Instability of Ni-Rich NMC Cathode

被引:6
|
作者
Tran, Ngoc Thanh Thuy [1 ,2 ]
Lin, Che-an [1 ,2 ,3 ]
Lin, Shih-kang [4 ]
机构
[1] Natl Cheng Kung Univ, Hierarch Green Energy Mat Hi GEM Res Ctr, Tainan 701, Taiwan
[2] Natl Cheng Kung Univ, Dept Mat Sci & Engn, Tainan 701, Taiwan
[3] Natl Cheng Kung Univ, Dept Mat Sci & Engn, Tainan 701, Taiwan
[4] Natl Cheng Kung Univ, Acad Innovat Semicond & Sustainable Mfg, Program Smart & Sustainable Mfg, Tainan 70101, Taiwan
关键词
Li-ion batteries; First-principles calculations; Cathode; Ni-rich; NMC; Stability; LAYERED OXIDE CATHODES; LITHIUM-ION BATTERIES; HIGH-ENERGY-DENSITY; ELECTROCHEMICAL PERFORMANCE; ELECTRODE MATERIALS; LINIO2; CATHODE; LONG-LIFE; SURFACE; NICKEL; LINI0.5CO0.2MN0.3O2;
D O I
10.1021/acssuschemeng.2c07428
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The Ni-rich LiNi1-x-yMnxCoyO2 (NMC) layered oxides have been promising materials to replace the LiCoO2 commercial cathode due to their high operation voltages, low cost, and enhanced capacity. However, structural instability is the main drawback of the Ni-rich NMC system, leading to capacity fading, which prevents its commerce application. While numerous efforts have been made to comprehend and overcome this issue, there remains a lack of systematic phase stability analysis which is an essential factor to be addressed. Herein, systematic first-principles calculations were performed in this study to reveal the structural, oxidation, and phase stability of Ni-rich NMC during delithiation. This is the first report on competing phases of Ni-rich NMC at various states of charge (SoCs). The compounds with the spinel and rock salt structures formed during delithiation and oxygen evolution takes place at highly delithiation cases, which are likely the origins of capacity fading and crack formation at the surface. This work also outlined the thermodynamic foundation of doping and oxidation state gradient-based core-shell strategies for resolving the instability and enhancing the capacity retention of Ni-rich NMC layered oxides as cathode materials in Li-ion batteries.
引用
收藏
页码:6978 / 6987
页数:10
相关论文
共 50 条
  • [1] Interphasial engineering for Ni-rich NMC cathode materials
    Shadike, Zulipiya
    Chen, Yiming
    Hu, Enyuan
    Zhang, Junliang
    Yang, Xiao-Qing
    TRENDS IN CHEMISTRY, 2023, 5 (10): : 775 - 787
  • [2] Optimization of aqueous Ni-rich NMC cathode formulation for improved electrochemical performance
    Wood, Marissa
    Du, Zhijia
    Li, Jianlin
    Wood, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256
  • [3] Optimized Al Doping Improves Both Interphase Stability and Bulk Structural Integrity of Ni-Rich NMC Cathode Materials
    Zhao, Wengao
    Zou, Lianfeng
    Jia, Haiping
    Zheng, Jianming
    Wang, Donghao
    Song, Junhua
    Hong, Chaoyu
    Liu, Rui
    Xu, Wu
    Yang, Yong
    Xiao, Jie
    Wang, Chongmin
    Zhang, Ji-Guang
    ACS APPLIED ENERGY MATERIALS, 2020, 3 (04) : 3369 - 3377
  • [4] Nickel and Cobalt Oxidation State Evolution at Ni-Rich NMC Cathode Surfaces during Treatment
    White, James L.
    Gittleson, Forrest S.
    Homer, Mark
    El Gabaly, Farid
    JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (30): : 16508 - 16514
  • [5] Ab initio thermodynamic optimization of Ni-rich Ni-Co-Mn oxide cathode coatings
    Liu, Bo
    Liu, Jian
    Yang, Jiong
    Wang, Da
    Ye, Caichao
    Wang, Deyu
    Avdeev, Maxim
    Shi, Siqi
    Yang, Jihui
    Zhang, Wenqing
    JOURNAL OF POWER SOURCES, 2020, 450 (450)
  • [6] Prospect and Reality of Ni-Rich Cathode for Commercialization
    Kim, Junhyeok
    Lee, Hyomyung
    Cha, Hyungyeon
    Yoon, Moonsu
    Park, Minjoon
    Cho, Jaephil
    ADVANCED ENERGY MATERIALS, 2018, 8 (06)
  • [7] Anomalous calendar aging of Ni-rich cathode batteries: Focusing on structural degradation
    Xu, Xiaodong
    Tang, Shengjin
    Han, Xuebing
    Wu, Yu
    Lu, Languang
    Liu, Xiang
    Yu, Chuanqiang
    Sun, Xiaoyan
    Feng, Xuning
    Ouyang, Minggao
    ENERGY STORAGE MATERIALS, 2024, 66
  • [8] Lithium nitrate as a surplus lithium source for anode-free cell with Ni-rich (NMC811) cathode
    Jote, Bikila Alemu
    Shitaw, Kassie Nigus
    Weret, Misganaw Adigo
    Yang, Sheng-Chiang
    Huang, Chen-Jui
    Wang, Chia-Hsin
    Weng, Yu-Ting
    Wu, She-Huang
    Su, Wei-Nien
    Hwang, Bing Joe
    JOURNAL OF POWER SOURCES, 2022, 532
  • [9] Revealing the structural degradation mechanism of the Ni-rich cathode surface: How thick is the surface?
    Kang, Yoon-Sok
    Park, Seong Yong
    Ito, Kimihiko
    Kubo, Yoshimi
    Shin, Yongwoo
    Kim, Dong Young
    Seo, Dong-Hwa
    Kim, Soojin
    Park, Jin-Hwan
    Doo, Seok-Gwang
    Koh, Meiten
    Seo, Jin Ah
    Park, Kwangjin
    JOURNAL OF POWER SOURCES, 2021, 490
  • [10] Anionic redox reaction and structural evolution of Ni-rich layered oxide cathode material
    Li, Shuwei
    Liu, Zepeng
    Yang, Lu
    Shen, Xi
    Liu, Qiuyan
    Hu, Zhiwei
    Kong, Qingyu
    Ma, Jun
    Li, Jiedong
    Lin, Hong-Ji
    Chen, Chien-Te
    Wang, Xuefeng
    Yu, Richeng
    Wang, Zhaoxiang
    Chen, Liquan
    Nano Energy, 2022, 98