High-Voltage Charging-Induced Strain, Heterogeneity, and Micro-Cracks in Secondary Particles of a Nickel-Rich Layered Cathode Material
Abstract
Abstract Nickel‐rich layered materials LiNi 1‐x‐y Mn x Co y O 2 are promising candidates for high‐energy‐density lithium‐ion battery cathodes. Unfortunately, they suffer from capacity fading upon cycling, especially with high‐voltage charging. It is critical to have a mechanistic understanding of such fade. Herein, synchrotron‐based techniques (including scattering, spectroscopy, and microcopy) and finite element analysis are utilized to understand the LiNi 0.6 Mn 0.2 Co 0.2 O 2 material from structural, chemical, morphological, and mechanical points of view. The lattice structural changes are shown to be relatively reversible during cycling, even when 4.9 V charging is applied. However, local disorder and strain are induced by high‐voltage charging. Nano‐resolution 3D transmission X‐ray microscopy data analyzed by machine learning methodology reveal that high‐voltage charging induced significant oxidation state inhomogeneities in the cycled particles. Regions at the surface have a rock salt–type structure with lower oxidation state and build up the impedance, while regions with higher oxidization state are scattered in the bulk and are likely deactivated during cycling. In addition, the development of micro‐cracks is highly dependent on the pristine state morphology and cycling conditions. Hollow particles seem to be more robust against stress‐induced cracks than the solid ones, suggesting that morphologymore »
- Authors:
-
[2];
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Light Source; Nanjing Univ. of Aeronautics and Astronautics (China). School of Computer Science and Technology
- Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Light Source
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Light Source; Chinese Academy of Sciences (CAS), Beijing (China). Beijing Synchrotron Radiation Facility. Inst. of High Energy Physics
- Nanjing Univ. of Aeronautics and Astronautics (China). School of Computer Science and Technology
- European Synchrotron Radiation Facility (ESRF), Grenoble (France)
- Purdue Univ., West Lafayette, IN (United States). School of Mechanical Engineering
- Stanford Univ., CA (United States). Dept. of Computer Science
- Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II
- Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Purdue Univ., West Lafayette, IN (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1498873
- Alternate Identifier(s):
- OSTI ID: 1498588
- Report Number(s):
- BNL-211348-2019-JAAM
Journal ID: ISSN 1616-301X
- Grant/Contract Number:
- SC0012704; AC02-76SF00515; DMR-1832613; DMR-1832707; DE‐SC0012704; DE‐AC02‐76SF00515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Functional Materials
- Additional Journal Information:
- Journal Volume: 29; Journal Issue: 18; Journal ID: ISSN 1616-301X
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 25 ENERGY STORAGE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; data mining; finite element analysis; lithium ion batteries; nickel-rich layered; synchrotron characterization
Citation Formats
Mao, Yuwei, Wang, Xuelong, Xia, Sihao, Zhang, Kai, Wei, Chenxi, Bak, Seongmin, Shadike, Zulipiya, Liu, Xuejun, Yang, Yang, Xu, Rong, Pianetta, Piero, Ermon, Stefano, Stavitski, Eli, Zhao, Kejie, Xu, Zhengrui, Lin, Feng, Yang, Xiao-Qing, Hu, Enyuan, and Liu, Yijin. High-Voltage Charging-Induced Strain, Heterogeneity, and Micro-Cracks in Secondary Particles of a Nickel-Rich Layered Cathode Material. United States: N. p., 2019.
Web. doi:10.1002/adfm.201900247.
Mao, Yuwei, Wang, Xuelong, Xia, Sihao, Zhang, Kai, Wei, Chenxi, Bak, Seongmin, Shadike, Zulipiya, Liu, Xuejun, Yang, Yang, Xu, Rong, Pianetta, Piero, Ermon, Stefano, Stavitski, Eli, Zhao, Kejie, Xu, Zhengrui, Lin, Feng, Yang, Xiao-Qing, Hu, Enyuan, & Liu, Yijin. High-Voltage Charging-Induced Strain, Heterogeneity, and Micro-Cracks in Secondary Particles of a Nickel-Rich Layered Cathode Material. United States. https://doi.org/10.1002/adfm.201900247
Mao, Yuwei, Wang, Xuelong, Xia, Sihao, Zhang, Kai, Wei, Chenxi, Bak, Seongmin, Shadike, Zulipiya, Liu, Xuejun, Yang, Yang, Xu, Rong, Pianetta, Piero, Ermon, Stefano, Stavitski, Eli, Zhao, Kejie, Xu, Zhengrui, Lin, Feng, Yang, Xiao-Qing, Hu, Enyuan, and Liu, Yijin. Thu .
"High-Voltage Charging-Induced Strain, Heterogeneity, and Micro-Cracks in Secondary Particles of a Nickel-Rich Layered Cathode Material". United States. https://doi.org/10.1002/adfm.201900247. https://www.osti.gov/servlets/purl/1498873.
@article{osti_1498873,
title = {High-Voltage Charging-Induced Strain, Heterogeneity, and Micro-Cracks in Secondary Particles of a Nickel-Rich Layered Cathode Material},
author = {Mao, Yuwei and Wang, Xuelong and Xia, Sihao and Zhang, Kai and Wei, Chenxi and Bak, Seongmin and Shadike, Zulipiya and Liu, Xuejun and Yang, Yang and Xu, Rong and Pianetta, Piero and Ermon, Stefano and Stavitski, Eli and Zhao, Kejie and Xu, Zhengrui and Lin, Feng and Yang, Xiao-Qing and Hu, Enyuan and Liu, Yijin},
abstractNote = {Abstract Nickel‐rich layered materials LiNi 1‐x‐y Mn x Co y O 2 are promising candidates for high‐energy‐density lithium‐ion battery cathodes. Unfortunately, they suffer from capacity fading upon cycling, especially with high‐voltage charging. It is critical to have a mechanistic understanding of such fade. Herein, synchrotron‐based techniques (including scattering, spectroscopy, and microcopy) and finite element analysis are utilized to understand the LiNi 0.6 Mn 0.2 Co 0.2 O 2 material from structural, chemical, morphological, and mechanical points of view. The lattice structural changes are shown to be relatively reversible during cycling, even when 4.9 V charging is applied. However, local disorder and strain are induced by high‐voltage charging. Nano‐resolution 3D transmission X‐ray microscopy data analyzed by machine learning methodology reveal that high‐voltage charging induced significant oxidation state inhomogeneities in the cycled particles. Regions at the surface have a rock salt–type structure with lower oxidation state and build up the impedance, while regions with higher oxidization state are scattered in the bulk and are likely deactivated during cycling. In addition, the development of micro‐cracks is highly dependent on the pristine state morphology and cycling conditions. Hollow particles seem to be more robust against stress‐induced cracks than the solid ones, suggesting that morphology engineering can be effective in mitigating the crack problem in these materials.},
doi = {10.1002/adfm.201900247},
journal = {Advanced Functional Materials},
number = 18,
volume = 29,
place = {United States},
year = {Thu Mar 07 00:00:00 EST 2019},
month = {Thu Mar 07 00:00:00 EST 2019}
}
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