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Title: Narrowing the Gap between Theoretical and Practical Capacities in Li-Ion Layered Oxide Cathode Materials

Journal Article · · Advanced Energy Materials

Abstract Although layered lithium oxides have become the cathode of choice for state‐of‐the‐art Li‐ion batteries, substantial gaps remain between the practical and theoretical energy densities. With the aim of supporting efforts to close this gap, this work reviews the fundamental operating mechanisms and challenges of Li intercalation in layered oxides, contrasts how these challenges play out differently for different materials (with emphasis on Ni–Co–Al (NCA) and Ni–Mn–Co (NMC) alloys), and summarizes the extensive corpus of modifications and extensions to the layered lithium oxides. Particular emphasis is given to the fundamental mechanisms behind the operation and degradation of layered intercalation electrode materials as well as novel modifications and extensions, including Na‐ion and cation‐disordered materials.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Northeastern Center for Chemical Energy Storage (NECCES)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0001294; DE‐SC0012583
OSTI ID:
1388252
Alternate ID(s):
OSTI ID: 1400638
Journal Information:
Advanced Energy Materials, Vol. 7, Issue 20; Related Information: NECCES partners with Stony Brook University (lead); Argonne National Laboratory; Binghamton University; Brookhaven National University; University of California, San Diego; University of Cambridge, UK; Lawrence Berkeley National Laboratory; Massachusetts Institute of Technology; University of Michigan; Rutgers University; ISSN 1614-6832
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 404 works
Citation information provided by
Web of Science

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On spinodal decomposition journal September 1961
First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in Li x CoO 2 journal July 1998
On the diffusion of Li+ defects in LiCoO2 and LiNiO2 journal November 2000
XPS Investigation of Surface Reactivity of Electrode Materials: Effect of the Transition Metal journal March 2015
Unexpected high power performance of atomic layer deposition coated Li[Ni1/3Mn1/3Co1/3]O2 cathodes journal May 2014
The effect of Si doping on the electrochemical characteristics of LiNiMnCoO journal January 2005
Spinel-Layered Core-Shell Cathode Materials for Li-Ion Batteries journal July 2011
A perspective on the high-voltage LiMn1.5Ni0.5O4 spinel cathode for lithium-ion batteries journal January 2014
Charge disproportionation and Jahn-Teller distortion in LiNiO 2 and NaNiO 2 : A density functional theory study journal August 2011
Identifying the Distribution of Al 3+ in LiNi 0.8 Co 0.15 Al 0.05 O 2 journal October 2016
Improvement of electrochemical properties of Li[Ni0.4Co0.2Mn(0.4−x)Mgx]O2−yFy cathode materials at high voltage region journal December 2006
Radiation damage in the TEM and SEM journal August 2004
Effect of cobalt substitution on cationic distribution in LiNi1 − y CoyO2 electrode materials journal September 1996
NaFe0.5Co0.5O2 as high energy and power positive electrode for Na-ion batteries journal September 2013
Factors that affect Li mobility in layered lithium transition metal oxides journal September 2006
Differentiating Contributions to “Ion Transfer” Barrier from Interphasial Resistance and Li + Desolvation at Electrolyte/Graphite Interface journal July 2010
Temperature-concentration phase diagram of P 2 -Na x CoO 2 from first-principles calculations journal June 2008
Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation journal October 2004
Staging Phase Transitions in Li[sub x]CoO[sub 2] journal January 2002
Factors affecting Li mobility in spinel LiMn2O4—A first-principles study by GGA and GGA+U methods journal August 2010
Issues and Challenges for Bulk-Type All-Solid-State Rechargeable Lithium Batteries using Sulfide Solid Electrolytes journal January 2015
Lithium batteries: a new tool in solid state chemistry journal April 1999
Interface Stability in Solid-State Batteries journal December 2015
Quest for Nonaqueous Multivalent Secondary Batteries: Magnesium and Beyond journal October 2014
Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries journal January 2012
Review on electrode–electrolyte solution interactions, related to cathode materials for Li-ion batteries journal March 2007
The Role of Surface and Interface Energy on Phase Stability of Nanosized Insertion Compounds journal April 2009
Remarkable improvement in cell safety for Li[Ni0.5Co0.2Mn0.3]O2 coated with LiFePO4 journal March 2010
A Combined Computational/Experimental Study on LiNi 1/3 Co 1/3 Mn 1/3 O 2 journal September 2003
Non-Aqueous K-Ion Battery Based on Layered K0.3MnO2 and Hard Carbon/Carbon Black text January 2016

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Effect of Low-Temperature Al2O3 ALD Coating on Ni-Rich Layered Oxide Composite Cathode on the Long-Term Cycling Performance of Lithium-Ion Batteries journal March 2019
Investigating the Removal of Layered Double Hydroxides in [Ni 0.80 Co 0.15 ] 0.95-x Al 0.05+x (OH) 2 (x = 0, 0.05) Prepared by Coprecipitation journal January 2018
Degradation and Aging Routes of Ni-Rich Cathode Based Li-Ion Batteries text January 2020
Cooling Induced Surface Reconstruction during Synthesis of High‐Ni Layered Oxides journal October 2019
X‐ray Nano‐computed Tomography of Electrochemical Conversion in Lithium‐ion Battery journal July 2019
Understanding intercalation compounds for sodium-ion batteries and beyond
  • Kaufman, Jonas L.; Vinckevičiūtė, Julija; Krishna Kolli, Sanjeev
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2152 https://doi.org/10.1098/rsta.2019.0020
journal July 2019
Effect of Choices of Positive Electrode Material, Electrolyte, Upper Cut-Off Voltage and Testing Temperature on the Life Time of Lithium-Ion Cells journal January 2018
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