DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Understanding Surface Densified Phases in Ni-Rich Layered Compounds

Journal Article · · ACS Energy Letters
ORCiD logo [1]; ORCiD logo [2];  [3];  [2]
  1. Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
  2. Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States
  3. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

Not Available

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Northeastern Center for Chemical Energy Storage (NECCES); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Univ. of California, Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
AC02-05CH11231; AC52-07NA27344; SC0012583
OSTI ID:
1507621
Report Number(s):
LLNL-JRNL--764442
Journal Information:
ACS Energy Letters, Journal Name: ACS Energy Letters Journal Issue: 4 Vol. 4; ISSN 2380-8195
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English

References (58)

The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes journal May 2014
Computational Design and Preparation of Cation-Disordered Oxides for High-Energy-Density Li-Ion Batteries journal May 2016
A new algorithm for Monte Carlo simulation of Ising spin systems journal January 1975
The relationship between the composition of lithium nickel oxide and the loss of reversibility during the first cycle journal June 1996
Synthesis and structural characterization of the normal spinel Li[Ni2]O4 journal October 1985
The applicability of Johnson-Mehl-Avrami model in the thermal analysis of the crystallization kinetics of glasses journal December 1995
A new variety of LiMnO2 with a layered structure journal August 1996
Use of Kolmogorov-Johnson-Mehl-Avrami kinetics in recrystallization of metals and crystallization of metallic glasses journal May 1990
Phase diagrams of lithium transition metal oxides: investigations from first principles journal September 1999
On the behavior of the LixNiO2 system: an electrochemical and structural overview journal September 1997
Kinetic modelling of solid state magnesium aluminate spinel formation and its validation journal May 2016
Thermodynamics of spinel LixTiO2 from first principles journal October 2005
Ordering in Lix(Ni0.5Mn0.5)O2 and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries journal October 2004
Investigation of positive electrodes after cycle testing of high-power Li-ion battery cells II journal December 2007
Capacity fade of LiAlyNi1−x−yCoxO2 cathode for lithium-ion batteries during accelerated calendar and cycle life tests (surface analysis of LiAlyNi1−x−yCoxO2 cathode after cycle tests in restricted depth of discharge ranges) journal July 2014
Microstructural study on degradation mechanism of layered LiNi0.6Co0.2Mn0.2O2 cathode materials by analytical transmission electron microscopy journal March 2016
First-Principles Simulation of the (Li–Ni–Vacancy)O Phase Diagram and Its Relevance for the Surface Phases in Ni-Rich Li-Ion Cathode Materials journal September 2017
Surface Structural and Chemical Evolution of Layered LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA) under High Voltage and Elevated Temperature Conditions journal November 2018
Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi 0.80 Co 0.15 Al 0.05 O 2 Cathode Particles journal January 2017
Suppressing the Structure Deterioration of Ni-Rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 through Atom-Scale Interfacial Integration of Self-Forming Hierarchical Spinel Layer with Ni Gradient Concentration journal August 2017
Oxidation Protection with Amorphous Surface Oxides: Thermodynamic Insights from Ab Initio Simulations on Aluminum journal January 2018
Structural Stability of LiNiO 2 Cycled above 4.2 V journal April 2017
Thermal Stability of Lithium Nickel Oxide Derivatives. Part I: Li x Ni 1.02 O 2 and Li x Ni 0.89 Al 0.16 O 2 ( x = 0.50 and 0.30) journal November 2003
Thermal Stability of Lithium Nickel Oxide Derivatives. Part II:  Li x Ni 0.70 Co 0.15 Al 0.15 O 2 and Li x Ni 0.90 Mn 0.10 O 2 ( x = 0.50 and 0.30). Comparison with Li x Ni 1.02 O 2 and Li x Ni 0.89 Al 0.16 O 2 journal November 2003
A First-Principles Approach to Studying the Thermal Stability of Oxide Cathode Materials journal February 2007
Phase Transitions in the LiNi 0.5 Mn 0.5 O 2 System with Temperature journal April 2007
Investigation of Changes in the Surface Structure of Li x Ni 0.8 Co 0.15 Al 0.05 O 2 Cathode Materials Induced by the Initial Charge journal December 2013
Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation journal October 2004
First Evidence of Manganese–Nickel Segregation and Densification upon Cycling in Li-Rich Layered Oxides for Lithium Batteries journal July 2013
Formation of the Spinel Phase in the Layered Composite Cathode Used in Li-Ion Batteries journal December 2012
Synthesis of layered LiMnO2 as an electrode for rechargeable lithium batteries journal June 1996
Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries journal March 2014
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
Influence of magnetic ordering and Jahn–Teller distortion on the lithiation process of LiMn 2 O 4 journal January 2017
Identifying surface structural changes in layered Li-excess nickel manganese oxides in high voltage lithium ion batteries: A joint experimental and theoretical study journal January 2011
A comparison of destabilization mechanisms of the layered NaxMO2 and LixMO2 compounds upon alkali de-intercalation journal January 2012
Kinetics of Phase Change. I General Theory journal December 1939
Kinetics of Phase Change. II Transformation‐Time Relations for Random Distribution of Nuclei journal February 1940
On the validity of Avrami formalism in primary crystallization journal September 2006
An investigation of the sodium patterning in NaxCoO2 (0.5⩽x⩽1) by density functional theory methods journal March 2008
Surface degradation of Li1–xNi0.80Co0.15Al0.05O2 cathodes: Correlating charge transfer impedance with surface phase transformations journal June 2016
Ground-state phase diagram of Na x CoO 2 : correlation of Na ordering with CoO 2 stacking sequences journal December 2008
First-principles investigation of phase stability in Li x CoO 2 journal August 1998
First-principles calculations of lithium ordering and phase stability on Li x NiO 2 journal August 2002
Temperature-concentration phase diagram of P 2 -Na x CoO 2 from first-principles calculations journal June 2008
Phase diagram and electrochemical properties of mixed olivines from first-principles calculations journal June 2009
Surface structure and equilibrium particle shape of the LiMn 2 O 4 spinel from first-principles calculations journal February 2013
Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries journal January 2014
Layered-to-Spinel Phase Transition in Li[sub x]MnO[sub 2] journal January 2001
Local Structure and Cation Ordering in O3 Lithium Nickel Manganese Oxides with Stoichiometry Li[Ni[sub x]Mn[sub (2−x)/3]Li[sub (1−2x)/3]]O[sub 2] journal January 2004
Lithium Intercalation into Layered LiMnO[sub 2] journal January 1997
First-Principles Evidence for Stage Ordering in Li[sub x]CoO[sub 2] journal January 1998
Prediction of Li Intercalation and Battery Voltages in Layered vs. Cubic Li[sub x]CoO[sub 2] journal January 1998
Microstructural Changes in LiNi0.8Co0.15Al0.05O2 Positive Electrode Material during the First Cycle journal January 2011
Microstructural Observation of LiNi 0.8 Co 0.15 Al 0.05 O 2 after Charge and Discharge by Scanning Transmission Electron Microscopy journal January 2012
Study of the Failure Mechanisms of LiNi 0.8 Mn 0.1 Co 0.1 O 2 Cathode Material for Lithium Ion Batteries journal January 2015
A fast image simulation algorithm for scanning transmission electron microscopy journal May 2017
A streaming multi-GPU implementation of image simulation algorithms for scanning transmission electron microscopy journal October 2017