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Title: Review of the U.S. Department of Energy's "Deep Dive" Effort to Understand Voltage Fade in Li- and Mn-rich Cathodes

Journal Article · · Accounts of Chemical Research
 [1];  [2];  [1];  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
  2. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division

With roughly two-thirds of daily oil consumption in the United States allotted for transportation, the possibility of efficient and affordable electric vehicles suggests a way to substantially alleviate the Country’s dependence on oil and mitigate the rise of greenhouse gases. Although commercialized Li-ion batteries do not currently meet the stringent demands of a would-be, economically competitive, electrified vehicle fleet, significant efforts are being focused on promising new materials for the next generation of Li-ion batteries. The leading class of materials most suitable for the challenge is the Li- and manganese-rich class of oxides. Denoted as LMR-NMC (Li-manganese-rich, nickel, manganese, cobalt), these materials could significantly improve energy densities, cost, and safety, relative to state-of-the-art Ni- and Co-rich Li-ion cells, if successfully developed.1 The success or failure of such a development relies heavily on understanding two defining characteristics of LMR-NMC cathodes. The first is a mechanism whereby the average voltage of cells continuously decreases with each successive charge and discharge cycle. This phenomenon, known as voltage fade, decreases the energy output of cells to unacceptable levels too early in cycling. The second characteristic is a pronounced hysteresis, or voltage difference, between charge and discharge cycles. The hysteresis represents not only an energy inefficiency (i.e., energy in vs energy out) but may also complicate the state of charge/depth of discharge management of larger systems, especially when accompanied by voltage fade. n 2012, the United States Department of Energy’s Office of Vehicle Technologies, well aware of the inherent potential of LMR-NMC materials for improving the energy density of automotive energy storage systems, tasked a team of scientists across the National Laboratory Complex to investigate the phenomenon of voltage fade. Unique studies using synchrotron X-ray absorption (XAS) and high-resolution diffraction (HR-XRD) were coupled with nuclear magnetic resonance spectroscopy (NMR), neutron diffraction, high-resolution transmission electron microscopy (HR-TEM), first-principles calculations, molecular dynamics simulations, and detailed electrochemical analyses. These studies demonstrated for the first time the atomic-scale, structure–property relationships that exist between nanoscale inhomogeneities and defects, and the macroscale, electrochemical performance of these layered oxides. These inhomogeneities and defects have been directly correlated with voltage fade and hysteresis, and a model describing these mechanisms has been proposed. This Account gives a brief summary of the findings of this recently concluded, approximately three-year investigation. Lastly, the interested reader is directed to the extensive body of work cited in the given references for a more comprehensive review of the subject.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1237845
Journal Information:
Accounts of Chemical Research, Vol. 48, Issue 11; ISSN 0001-4842
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 188 works
Citation information provided by
Web of Science

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Solid State NMR Studies of Li 2 MnO 3 and Li-Rich Cathode Materials: Proton Insertion, Local Structure, and Voltage Fade journal November 2014
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A comparison of destabilization mechanisms of the layered NaxMO2 and LixMO2 compounds upon alkali de-intercalation journal January 2012
Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion journal October 2014
Insight into the Atomic Structure of Cycled Lithium-Rich Layered Oxide Li 1.20 Mn 0.54 Co 0.13 Ni 0.13 O 2 Using HAADF STEM and Electron Nanodiffraction journal December 2014
Origin of voltage decay in high-capacity layered oxide electrodes journal December 2014
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Effect of interface modifications on voltage fade in 0.5Li2MnO3·0.5LiNi0.375Mn0.375Co0.25O2 cathode materials journal March 2014
Role of Cr 3+ /Cr 6+ redox in chromium-substituted Li 2 MnO 3 ·LiNi 1/2 Mn 1/2 O 2 layered composite cathodes: electrochemistry and voltage fade journal January 2015
Aluminum and Gallium Substitution into 0.5Li 2 MnO 3 ·0.5Li(Ni 0.375 Mn 0.375 Co 0.25 )O 2 Layered Composite and the Voltage Fade Effect journal December 2014
Voltage Fade of Layered Oxides: Its Measurement and Impact on Energy Density journal January 2013

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Ultrafast Heterogeneous Nucleation Enables a Hierarchical Surface Configuration of Lithium-Rich Layered Oxide Cathode Material for Enhanced Electrochemical Performances journal March 2018
Native Vacancy Enhanced Oxygen Redox Reversibility and Structural Robustness journal December 2018
Oxygen Release and Surface Degradation of Li- and Mn-Rich Layered Oxides in Variation of the Li 2 MnO 3 Content journal January 2018
Voltage Decay in Layered Li-Rich Mn-Based Cathode Materials journal August 2019
Unified picture of anionic redox in Li/Na-ion batteries journal March 2019
Reversible Anionic Redox Activities in Conventional LiNi 1/3 Co 1/3 Mn 1/3 O 2 Cathodes journal March 2020
Current Li-Ion Battery Technologies in Electric Vehicles and Opportunities for Advancements journal March 2019
Dynamic imaging of crystalline defects in lithium-manganese oxide electrodes during electrochemical activation to high voltage journal April 2019
Review on anionic redox for high-capacity lithium- and sodium-ion batteries journal April 2017
Tuning surface conductivity and stability for high-performance Li- and Mn-rich cathode materials journal January 2019
Improving the structural stability of Li-rich cathode materials via reservation of cations in the Li-slab for Li-ion batteries journal April 2017
Modification of Ni-Rich FCG NMC and NCA Cathodes by Atomic Layer Deposition: Preventing Surface Phase Transitions for High-Voltage Lithium-Ion Batteries journal May 2016
Cycling Behavior of NCM523/Graphite Lithium-Ion Cells in the 3–4.4 V Range: Diagnostic Studies of Full Cells and Harvested Electrodes journal September 2016
Understanding Performance Degradation in Cation‐Disordered Rock‐Salt Oxide Cathodes journal July 2019
Li–Ti Cation Mixing Enhanced Structural and Performance Stability of Li‐Rich Layered Oxide journal July 2019
Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries journal April 2018
Eliminating Transition Metal Migration and Anionic Redox to Understand Voltage Hysteresis of Lithium‐Rich Layered Oxides journal January 2020
A High-Capacity O2-Type Li-Rich Cathode Material with a Single-Layer Li 2 MnO 3 Superstructure journal March 2018
High-Capacity Cathode Material with High Voltage for Li-Ion Batteries journal January 2018
Ab initio identification of the Li-rich phase in LiFePO 4 journal January 2018
Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries journal June 2017
Physico-chemistry of energy-dense Li 1.2 Mn 0.52 Co 0.13 Ni 0.13 Al 0.02 O 2 cathode material for lithium-ion batteries obtained from urea and ethylene glycol fuels journal September 2019
Advances in the Cathode Materials for Lithium Rechargeable Batteries journal February 2020
Nanotechnology for environmentally sustainable electromobility journal December 2016
Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging journal July 2018
Manganese‐Based Na‐Rich Materials Boost Anionic Redox in High‐Performance Layered Cathodes for Sodium‐Ion Batteries journal May 2019
Direct observation of layered-to-spinel phase transformation in Li 2 MnO 3 and the spinel structure stabilised after the activation process journal January 2017
Surface Doping to Enhance Structural Integrity and Performance of Li-Rich Layered Oxide journal October 2018
Oxygen release and oxygen redox journal July 2018
Review on Challenges and Recent Advances in the Electrochemical Performance of High Capacity Li- and Mn-Rich Cathode Materials for Li-Ion Batteries journal December 2017
Oxygen Release Degradation in Li‐Ion Battery Cathode Materials: Mechanisms and Mitigating Approaches journal April 2019
A multifunctional silicotungstic acid-modified Li-rich manganese-based cathode material with excellent electrochemical properties journal October 2018
Unraveling the Voltage Decay Phenomenon in Li‐Rich Layered Oxide Cathode of No Oxygen Activity journal October 2019
Fundamental interplay between anionic/cationic redox governing the kinetics and thermodynamics of lithium-rich cathodes journal December 2017
Advancing Lithium- and Manganese-Rich Cathodes through a Combined Electrolyte Additive/Surface Treatment Strategy journal January 2019
Chemical, Structural, and Electronic Aspects of Formation and Degradation Behavior on Different Length Scales of Ni‐Rich NCM and Li‐Rich HE‐NCM Cathode Materials in Li‐Ion Batteries journal April 2019
Layer‐Based Heterostructured Cathodes for Lithium‐Ion and Sodium‐Ion Batteries journal February 2019
Editors' Choice—State of Charge Dependent Resistance Build-Up in Li- and Mn-Rich Layered Oxides during Lithium Extraction and Insertion journal January 2019
Kathodenmaterialien für wiederaufladbare Lithiumbatterien journal November 2019
Reversible Anionic Redox Activities in Conventional LiNi 1/3 Co 1/3 Mn 1/3 O 2 Cathodes journal March 2020
Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging text January 2018
Chemical, Structural, and Electronic Aspects of Formation and Degradation Behavior on Different Length Scales of Ni‐Rich NCM and Li‐Rich HE‐NCM Cathode Materials in Li‐Ion Batteries text January 2019
Stabilization of O–O Bonds by d 0 Cations in Li 4+ x Ni 1– x WO 6 (0 ≤ x ≤ 0.25) Rock Salt Oxides as the Origin of Large Voltage Hysteresis journal April 2019