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Direct observation of defect-aided structural evolution in Ni-rich layered cathode

Journal Article · · Angewandte Chemie (International Edition)
 [1];  [2];  [3];  [4];  [5];  [6];  [7];  [5];  [8];  [7];  [9];  [10]
  1. Wenzhou Univ. (China); Univ. of Waterloo, ON (Canada); Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Harvard Univ., Cambridge, MA (United States); Univ. of Toronto, ON (Canada)
  3. Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xiamen Univ., Fujian (China)
  4. Northwestern Polytechnical Univ., Xian (China)
  5. Stony Brook Univ., NY (United States)
  6. Brookhaven National Lab. (BNL), Upton, NY (United States)
  7. Wenzhou Univ. (China)
  8. Chinese Academy of Sciences (CAS), Beijing (China)
  9. Univ. of Waterloo, ON (Canada)
  10. Brookhaven National Lab. (BNL), Upton, NY (United States); Chinese Academy of Sciences (CAS), Beijing (China)
+ Show Author Affiliations
Ni-rich LiNi1-x-yMnxCoyO2 (NMC) layered compounds have become the dominated cathode for lithium ion batteries. The role of crystallographic defects on their structure evolution and consequent performance degradation during electrochemical cycling is not yet fully understood. In this work, we investigated the structural evolution of Ni-rich NMC cathode in a solid-state cell via in-situ transmission electron microscopy. We identified antiphase boundary (APB) and twin boundary (TB) separating layered phases played an important role on phase change. Upon the lithium depletion, the APB extends across the layered structure, while Li/transition metal (TM) ion mixing in the layered phases is detected to induce the rock-salt phase formation along the coherent TB. According to DFT calculations, Li/TM mixing and phase transition are aided by the low diffusion barriers of TM ions at planar defects. Finally, this work reveals the dynamical scenario of secondary phase evolution, which helps to unveil the origin of performance fading in Ni-rich NMC.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
National Natural Science Foundation of China (NNSFC); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES); University of Waterloo; Wenzhou University
Grant/Contract Number:
SC0012704
OSTI ID:
1647563
Alternate ID(s):
OSTI ID: 1786037
Report Number(s):
BNL--216254-2020-JAAM
Journal Information:
Angewandte Chemie (International Edition), Journal Name: Angewandte Chemie (International Edition) Journal Issue: 49 Vol. 59; ISSN 1433-7851
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

25 ENERGY STORAGE
cathode
defect
in situ TEM
lithium ion batteries
structural evolution