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Title: Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries

Abstract

A critical challenge in the commercialization of layer–structured Ni–rich materials is the fast capacity drop and voltage fading due to the interfacial instability and bulk structural degradation of the cathodes during battery operation. Herein, with the guidance of theoretical calculations of migration energy difference between La and Ti from the surface to the inside of LiNi 0.8Co 0.1Mn 0.1O 2, for the first time, Ti–doped and La 4NiLiO 8–coated LiNi 0.8Co 0.1Mn 0.1O 2 cathodes are rationally designed and prepared, via a simple and convenient dual–modification strategy of synchronous synthesis and in situ modification. Impressively, the dual modified materials show remarkably improved electrochemical performance and largely suppressed voltage fading, even under exertive operational conditions at elevated temperature and under extended cutoff voltage. Further studies reveal that the nanoscale structural degradation on material surfaces and the appearance of intergranular cracks associated with the inconsistent evolution of structural degradation at the particle level can be effectively suppressed by the synergetic effect of the conductive La 4NiLiO 8 coating layer and the strong Ti—O bond. As a result, the present work demonstrates that our strategy can simultaneously address the two issues with respect to interfacial instability and bulk structural degradation, and it representsmore » a significant progress in the development of advanced cathode materials for high–performance lithium–ion batteries.« less

Authors:
 [1];  [2];  [3];  [1];  [4];  [1];  [1];  [1];  [5];  [1];  [1];  [3];  [2];  [3];  [6]; ORCiD logo [4]
  1. Changsha Univ. of Science and Technology, Changsha (People's Republic of China)
  2. Univ. of Nebraska‐Lincoln, Lincoln, NE (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Argonne National Lab. (ANL), Argonne, IL (United States)
  5. NingDe Ampere Technology Ltd., Fujian (China)
  6. Xiamen Univ., Fujian (China)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1513538
Alternate Identifier(s):
OSTI ID: 1493848
Report Number(s):
BNL-211647-2019-JAAM
Journal ID: ISSN 1616-301X
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 13; Journal ID: ISSN 1616-301X
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DFT calculation; dual‐modification strategy; lithium‐ion batteries; Ni‐rich materials; synchronous synthesis

Citation Formats

Yang, Huiping, Wu, Hong ‐Hui, Ge, Mingyuan, Li, Lingjun, Yuan, Yifei, Yao, Qi, Chen, Jie, Xia, Lingfeng, Zheng, Jiangming, Chen, Zhaoyong, Duan, Junfei, Kisslinger, Kim, Zeng, Xiao Cheng, Lee, Wah ‐Keat, Zhang, Qiaobao, and Lu, Jun. Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries. United States: N. p., 2019. Web. doi:10.1002/adfm.201808825.
Yang, Huiping, Wu, Hong ‐Hui, Ge, Mingyuan, Li, Lingjun, Yuan, Yifei, Yao, Qi, Chen, Jie, Xia, Lingfeng, Zheng, Jiangming, Chen, Zhaoyong, Duan, Junfei, Kisslinger, Kim, Zeng, Xiao Cheng, Lee, Wah ‐Keat, Zhang, Qiaobao, & Lu, Jun. Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries. United States. doi:10.1002/adfm.201808825.
Yang, Huiping, Wu, Hong ‐Hui, Ge, Mingyuan, Li, Lingjun, Yuan, Yifei, Yao, Qi, Chen, Jie, Xia, Lingfeng, Zheng, Jiangming, Chen, Zhaoyong, Duan, Junfei, Kisslinger, Kim, Zeng, Xiao Cheng, Lee, Wah ‐Keat, Zhang, Qiaobao, and Lu, Jun. Thu . "Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries". United States. doi:10.1002/adfm.201808825.
@article{osti_1513538,
title = {Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries},
author = {Yang, Huiping and Wu, Hong ‐Hui and Ge, Mingyuan and Li, Lingjun and Yuan, Yifei and Yao, Qi and Chen, Jie and Xia, Lingfeng and Zheng, Jiangming and Chen, Zhaoyong and Duan, Junfei and Kisslinger, Kim and Zeng, Xiao Cheng and Lee, Wah ‐Keat and Zhang, Qiaobao and Lu, Jun},
abstractNote = {A critical challenge in the commercialization of layer–structured Ni–rich materials is the fast capacity drop and voltage fading due to the interfacial instability and bulk structural degradation of the cathodes during battery operation. Herein, with the guidance of theoretical calculations of migration energy difference between La and Ti from the surface to the inside of LiNi0.8Co0.1Mn0.1O2, for the first time, Ti–doped and La4NiLiO8–coated LiNi0.8Co0.1Mn0.1O2 cathodes are rationally designed and prepared, via a simple and convenient dual–modification strategy of synchronous synthesis and in situ modification. Impressively, the dual modified materials show remarkably improved electrochemical performance and largely suppressed voltage fading, even under exertive operational conditions at elevated temperature and under extended cutoff voltage. Further studies reveal that the nanoscale structural degradation on material surfaces and the appearance of intergranular cracks associated with the inconsistent evolution of structural degradation at the particle level can be effectively suppressed by the synergetic effect of the conductive La4NiLiO8 coating layer and the strong Ti—O bond. As a result, the present work demonstrates that our strategy can simultaneously address the two issues with respect to interfacial instability and bulk structural degradation, and it represents a significant progress in the development of advanced cathode materials for high–performance lithium–ion batteries.},
doi = {10.1002/adfm.201808825},
journal = {Advanced Functional Materials},
number = 13,
volume = 29,
place = {United States},
year = {2019},
month = {2}
}

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Works referenced in this record:

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996