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Title: Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery

Abstract

Despite the importance of studying the instability of delithiated cathode materials, it remains difficult to underpin the degradation mechanism of lithium-rich cathode materials due to the complication of combined chemical and structural evolutions. Herein, we use state-of-the-art electron microscopy tools, in conjunction with synchrotron X-ray techniques and first-principle calculations to study a 4d-element-containing compound, Li2Ru0.5Mn0.5O3. We find surprisingly, after cycling, ruthenium segregates out as metallic nanoclusters on the reconstructed surface. Our calculations show that the unexpected ruthenium metal segregation is due to its thermodynamic insolubility in the oxygen deprived surface. This insolubility can disrupt the reconstructed surface, which explains the formation of a porous structure in this material. This work reveals the importance of studying the thermodynamic stability of the reconstructed film on the cathode materials and offers a theoretical guidance for choosing manganese substituting elements in lithium-rich as well as stoichiometric layer-layer compounds for stabilizing the cathode surface.

Authors:
 [1]; ORCiD logo [2];  [1];  [3];  [4];  [5]; ORCiD logo [6]; ORCiD logo [1];  [2];  [1];  [7]; ORCiD logo [5]; ORCiD logo [8]; ORCiD logo [3];  [2]; ORCiD logo [9]
+ Show Author Affiliations
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
  3. Chinese Academy of Sciences (CAS), Beijing (China). Beijing Advanced Innovation Center for Materials Genome Engineering, Inst. of Physics
  4. Xiamen Univ., Xiamen (China). Dept. of Physics and the Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient Devices
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  6. Xiamen Univ., Xiamen (China). Dept. of Physics and the Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient Devices; Xiamen Univ. Malaysia, Selangor (Malaysia)
  7. Univ. of California, Irvine, CA (United States). Dept. of Physics and Astronomy
  8. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Storage and Distributed Resources Division; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science
  9. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN); Univ. of California, Irvine, CA (United States). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1542396
Alternate Identifier(s):
OSTI ID: 1507699
Report Number(s):
BNL-211556-2019-JAAM
Journal ID: ISSN 2041-1723; ark:/13030/qt9p5140p2
Grant/Contract Number:  
AC02-05CH11231; SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 10; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 36 MATERIALS SCIENCE

Citation Formats

Lin, Ruoqian, Hu, Enyuan, Liu, Mingjie, Wang, Yi, Cheng, Hao, Wu, Jinpeng, Zheng, Jin-Cheng, Wu, Qin, Bak, Seongmin, Tong, Xiao, Zhang, Rui, Yang, Wanli, Persson, Kristin A., Yu, Xiqian, Yang, Xiao-Qing, and Xin, Huolin L. Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery. United States: N. p., 2019. Web. doi:10.1038/s41467-019-09248-0.
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Lin, Ruoqian, Hu, Enyuan, Liu, Mingjie, Wang, Yi, Cheng, Hao, Wu, Jinpeng, Zheng, Jin-Cheng, Wu, Qin, Bak, Seongmin, Tong, Xiao, Zhang, Rui, Yang, Wanli, Persson, Kristin A., Yu, Xiqian, Yang, Xiao-Qing, & Xin, Huolin L. Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery. United States. https://doi.org/10.1038/s41467-019-09248-0
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Lin, Ruoqian, Hu, Enyuan, Liu, Mingjie, Wang, Yi, Cheng, Hao, Wu, Jinpeng, Zheng, Jin-Cheng, Wu, Qin, Bak, Seongmin, Tong, Xiao, Zhang, Rui, Yang, Wanli, Persson, Kristin A., Yu, Xiqian, Yang, Xiao-Qing, and Xin, Huolin L. Tue . "Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery". United States. https://doi.org/10.1038/s41467-019-09248-0. https://www.osti.gov/servlets/purl/1542396.
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@article{osti_1542396,
title = {Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery},
author = {Lin, Ruoqian and Hu, Enyuan and Liu, Mingjie and Wang, Yi and Cheng, Hao and Wu, Jinpeng and Zheng, Jin-Cheng and Wu, Qin and Bak, Seongmin and Tong, Xiao and Zhang, Rui and Yang, Wanli and Persson, Kristin A. and Yu, Xiqian and Yang, Xiao-Qing and Xin, Huolin L.},
abstractNote = {Despite the importance of studying the instability of delithiated cathode materials, it remains difficult to underpin the degradation mechanism of lithium-rich cathode materials due to the complication of combined chemical and structural evolutions. Herein, we use state-of-the-art electron microscopy tools, in conjunction with synchrotron X-ray techniques and first-principle calculations to study a 4d-element-containing compound, Li2Ru0.5Mn0.5O3. We find surprisingly, after cycling, ruthenium segregates out as metallic nanoclusters on the reconstructed surface. Our calculations show that the unexpected ruthenium metal segregation is due to its thermodynamic insolubility in the oxygen deprived surface. This insolubility can disrupt the reconstructed surface, which explains the formation of a porous structure in this material. This work reveals the importance of studying the thermodynamic stability of the reconstructed film on the cathode materials and offers a theoretical guidance for choosing manganese substituting elements in lithium-rich as well as stoichiometric layer-layer compounds for stabilizing the cathode surface.},
doi = {10.1038/s41467-019-09248-0},
journal = {Nature Communications},
number = 1,
volume = 10,
place = {United States},
year = {Tue Apr 09 00:00:00 EDT 2019},
month = {Tue Apr 09 00:00:00 EDT 2019}
}
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https://doi.org/10.1038/s41467-019-09248-0
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Metal segregation in hierarchically structured cathode materials for high-energy lithium batteries
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High capacity double-layer surface modified Li[Li0.2Mn0.54Ni0.13Co0.13]O2 cathode with improved rate capability
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High-capacity electrode materials for rechargeable lithium batteries: Li 3 NbO 4 -based system with cation-disordered rocksalt structure
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journal, January 2004

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High Capacity, Surface-Modified Layered Li [Li (1−x) ∕ 3Mn (2−x) ∕ 3Nix ∕ 3Cox ∕ 3 ] O2 Cathodes with Low Irreversible Capacity Loss
journal, March 2006

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    Highly [010]-oriented, gradient Co-doped LiMnPO4 with enhanced cycling stability as cathode for Li-ion batteries
    journal, January 2020

    • Wang, Ruijie; Zheng, Jinyun; Feng, Xiangming
    • Journal of Solid State Electrochemistry, Vol. 24, Issue 3
    • DOI: 10.1007/s10008-019-04485-1

    Electrochemical activity of Samarium on starch-derived porous carbon: rechargeable Li- and Al-ion batteries
    journal, March 2020

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