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Title: Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing

The Li-rich layer-structured oxides are regarded one of the most promising candidates of cathode materials for high energy-density Li-ion batteries. However, the uninterrupted migration of the transition metal (TM) ions during cycling and the resultant continuous fading of their discharge potentials bring challenges to the battery design and impede their commercial applications. Various efforts have been taken to suppress the migration of the TM ions such as surface modification and elemental substitution, but no success has been achieved to date. Another strategy hereby is proposed to address these issues, in which the TM migration is promoted and the layered material is transformed to a rocksalt in the first few charge/discharge cycles by specially designing a novel Li-rich layer-structured Li 1.2Mo 0.6Fe 0.2O 2 on the basis of density functional theory calculations. With such, the continuous falling of the discharge potential is detoured due to enhanced completion of the cation mixing. In-depth studies such as aberration-corrected scanning transmission electron microscopy confirm the drastic structural change at the atomic scale, and in situ X-ray absorption spectroscopy and Mössbauer spectroscopy clarify its charge compensation mechanism. In conclusion, this new strategy provides revelation for the development of the Li-rich layered oxides with mitigated potentialmore » decay and a longer lifespan.« less
Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [5] ;  [3] ;  [6] ;  [7] ;  [1] ;  [4] ;  [1]
  1. Chinese Academy of Sciences (CAS), Beijing (China). Key Lab. for Renewable Energy, Beijing Key Lab. for New Energy Materials and Devices, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics; Univ. of Chinese Academy of Sciences, Beijing (China). School of Physical Sciences
  2. Chinese Academy of Sciences (CAS), Beijing (China). Key Lab. for Renewable Energy, Beijing Key Lab. for New Energy Materials and Devices, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics; Ningde Contemporary Amperex Technology Co. Limited (CATL) Fujian (China). Electric Vehicle Cells
  3. Chinese Academy of Sciences (CAS), Beijing (China). Lab. for Advanced Materials and Electron Microscopy, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics
  4. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
  5. Chinese Academy of Sciences (CAS), Beijing (China). Key Lab. for Renewable Energy, Beijing Key Lab. for New Energy Materials and Devices, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics
  6. Chinese Academy of Sciences (CAS), Beijing (China). State Key Lab. of Magnetism, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics
  7. Beijing Univ. of Chemical Technology, Beijing (China). College of Science
Publication Date:
Report Number(s):
BNL-203319-2018-JAAM
Journal ID: ISSN 1614-6832; TRN: US1802058
Grant/Contract Number:
SC0012704; AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Volume: 8; Journal Issue: 15; Journal ID: ISSN 1614-6832
Publisher:
Wiley
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE
OSTI Identifier:
1425179
Alternate Identifier(s):
OSTI ID: 1420182

Liu, Shuai, Feng, Xin, Wang, Xuelong, Shen, Xi, Hu, Enyuan, Xiao, Ruijuan, Yu, Richeng, Yang, Haitao, Song, Ningning, Wang, Zhaoxiang, Yang, Xiaoqing, and Chen, Liquan. Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing. United States: N. p., Web. doi:10.1002/aenm.201703092.
Liu, Shuai, Feng, Xin, Wang, Xuelong, Shen, Xi, Hu, Enyuan, Xiao, Ruijuan, Yu, Richeng, Yang, Haitao, Song, Ningning, Wang, Zhaoxiang, Yang, Xiaoqing, & Chen, Liquan. Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing. United States. doi:10.1002/aenm.201703092.
Liu, Shuai, Feng, Xin, Wang, Xuelong, Shen, Xi, Hu, Enyuan, Xiao, Ruijuan, Yu, Richeng, Yang, Haitao, Song, Ningning, Wang, Zhaoxiang, Yang, Xiaoqing, and Chen, Liquan. 2018. "Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing". United States. doi:10.1002/aenm.201703092.
@article{osti_1425179,
title = {Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing},
author = {Liu, Shuai and Feng, Xin and Wang, Xuelong and Shen, Xi and Hu, Enyuan and Xiao, Ruijuan and Yu, Richeng and Yang, Haitao and Song, Ningning and Wang, Zhaoxiang and Yang, Xiaoqing and Chen, Liquan},
abstractNote = {The Li-rich layer-structured oxides are regarded one of the most promising candidates of cathode materials for high energy-density Li-ion batteries. However, the uninterrupted migration of the transition metal (TM) ions during cycling and the resultant continuous fading of their discharge potentials bring challenges to the battery design and impede their commercial applications. Various efforts have been taken to suppress the migration of the TM ions such as surface modification and elemental substitution, but no success has been achieved to date. Another strategy hereby is proposed to address these issues, in which the TM migration is promoted and the layered material is transformed to a rocksalt in the first few charge/discharge cycles by specially designing a novel Li-rich layer-structured Li1.2Mo0.6Fe0.2O2 on the basis of density functional theory calculations. With such, the continuous falling of the discharge potential is detoured due to enhanced completion of the cation mixing. In-depth studies such as aberration-corrected scanning transmission electron microscopy confirm the drastic structural change at the atomic scale, and in situ X-ray absorption spectroscopy and Mössbauer spectroscopy clarify its charge compensation mechanism. In conclusion, this new strategy provides revelation for the development of the Li-rich layered oxides with mitigated potential decay and a longer lifespan.},
doi = {10.1002/aenm.201703092},
journal = {Advanced Energy Materials},
number = 15,
volume = 8,
place = {United States},
year = {2018},
month = {2}
}