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Title: High-Voltage Charging-Induced Strain, Heterogeneity, and Micro-Cracks in Secondary Particles of a Nickel-Rich Layered Cathode Material

Journal Article · · Advanced Functional Materials
 [1];  [2];  [3];  [4];  [3];  [2];  [2];  [5];  [6];  [7];  [3];  [8];  [9];  [7];  [10];  [10]; ORCiD logo [2];  [2];  [3]
  1. 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
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Light Source
  4. 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
  5. Nanjing Univ. of Aeronautics and Astronautics (China). School of Computer Science and Technology
  6. European Synchrotron Radiation Facility (ESRF), Grenoble (France)
  7. Purdue Univ., West Lafayette, IN (United States). School of Mechanical Engineering
  8. Stanford Univ., CA (United States). Dept. of Computer Science
  9. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II
  10. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry
+ Show Author Affiliations

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.

Research Organization:
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 Organization:
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); USDOE
Grant/Contract Number:
SC0012704; AC02-76SF00515; DMR-1832613; DMR-1832707; DE‐SC0012704; DE‐AC02‐76SF00515
OSTI ID:
1498873
Alternate ID(s):
OSTI ID: 1498588
Report Number(s):
BNL-211348-2019-JAAM
Journal Information:
Advanced Functional Materials, Vol. 29, Issue 18; ISSN 1616-301X
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 183 works
Citation information provided by
Web of Science

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Cited By (8)

Surface/Interface Structure Degradation of Ni‐Rich Layered Oxide Cathodes toward Lithium‐Ion Batteries: Fundamental Mechanisms and Remedying Strategies journal December 2019
Charge distribution guided by grain crystallographic orientations in polycrystalline battery materials journal January 2020
Spatial quantification of dynamic inter and intra particle crystallographic heterogeneities within lithium ion electrodes journal January 2020
Effect of State-of-Charge and Air Exposure on Tensile Mechanical Properties of Lithium-Ion Battery Electrodes journal January 2020
Laboratory-Based X-ray Absorption Spectroscopy on a Working Pouch Cell Battery at Industrially-Relevant Charging Rates journal January 2019
TOPAS and TOPAS-Academic : an optimization program integrating computer algebra and crystallographic objects written in C++ journal February 2018
Effect of State-of-Charge and Air Exposure on Tensile Mechanical Properties of Lithium-Ion Battery Electrodes text January 2020
Charge distribution guided by grain crystallographic orientations in polycrystalline battery materials journal January 2020

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25 ENERGY STORAGE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
data mining
finite element analysis
lithium ion batteries
nickel-rich layered
synchrotron characterization