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Title: Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing

Abstract

The Li-rich layer-structured oxides are regarded one of the most promising candidates of cathode materials for high energy-density Li-ion batteries. However, the uninterrupted migration of the transition metal (TM) ions during cycling and the resultant continuous fading of their discharge potentials bring challenges to the battery design and impede their commercial applications. Various efforts have been taken to suppress the migration of the TM ions such as surface modification and elemental substitution, but no success has been achieved to date. Another strategy hereby is proposed to address these issues, in which the TM migration is promoted and the layered material is transformed to a rocksalt in the first few charge/discharge cycles by specially designing a novel Li-rich layer-structured Li1.2Mo0.6Fe0.2O2 on the basis of density functional theory calculations. With such, the continuous falling of the discharge potential is detoured due to enhanced completion of the cation mixing. In-depth studies such as aberration-corrected scanning transmission electron microscopy confirm the drastic structural change at the atomic scale, and in situ X-ray absorption spectroscopy and Mössbauer spectroscopy clarify its charge compensation mechanism. In conclusion, this new strategy provides revelation for the development of the Li-rich layered oxides with mitigated potential decay and a longermore » lifespan.« less

Authors:
 [1];  [2];  [1];  [3];  [4];  [5];  [3];  [6];  [7];  [1];  [4];  [1]
+ Show Author Affiliations
  1. Chinese Academy of Sciences (CAS), Beijing (China). Key Lab. for Renewable Energy, Beijing Key Lab. for New Energy Materials and Devices, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics; Univ. of Chinese Academy of Sciences, Beijing (China). School of Physical Sciences
  2. Chinese Academy of Sciences (CAS), Beijing (China). Key Lab. for Renewable Energy, Beijing Key Lab. for New Energy Materials and Devices, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics; Ningde Contemporary Amperex Technology Co. Limited (CATL) Fujian (China). Electric Vehicle Cells
  3. Chinese Academy of Sciences (CAS), Beijing (China). Lab. for Advanced Materials and Electron Microscopy, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics
  4. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
  5. Chinese Academy of Sciences (CAS), Beijing (China). Key Lab. for Renewable Energy, Beijing Key Lab. for New Energy Materials and Devices, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics
  6. Chinese Academy of Sciences (CAS), Beijing (China). State Key Lab. of Magnetism, Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics
  7. Beijing Univ. of Chemical Technology, Beijing (China). College of Science
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE
OSTI Identifier:
1425179
Alternate Identifier(s):
OSTI ID: 1420182
Report Number(s):
BNL-203319-2018-JAAM
Journal ID: ISSN 1614-6832; TRN: US1802058
Grant/Contract Number:  
SC0012704; DE‐SC0012704; DE‐AC02‐06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Volume: 8; Journal Issue: 15; Journal ID: ISSN 1614-6832
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Liu, Shuai, Feng, Xin, Wang, Xuelong, Shen, Xi, Hu, Enyuan, Xiao, Ruijuan, Yu, Richeng, Yang, Haitao, Song, Ningning, Wang, Zhaoxiang, Yang, Xiaoqing, and Chen, Liquan. Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing. United States: N. p., 2018. Web. doi:10.1002/aenm.201703092.
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Liu, Shuai, Feng, Xin, Wang, Xuelong, Shen, Xi, Hu, Enyuan, Xiao, Ruijuan, Yu, Richeng, Yang, Haitao, Song, Ningning, Wang, Zhaoxiang, Yang, Xiaoqing, & Chen, Liquan. Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing. United States. https://doi.org/10.1002/aenm.201703092
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Liu, Shuai, Feng, Xin, Wang, Xuelong, Shen, Xi, Hu, Enyuan, Xiao, Ruijuan, Yu, Richeng, Yang, Haitao, Song, Ningning, Wang, Zhaoxiang, Yang, Xiaoqing, and Chen, Liquan. Mon . "Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing". United States. https://doi.org/10.1002/aenm.201703092. https://www.osti.gov/servlets/purl/1425179.
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@article{osti_1425179,
title = {Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing},
author = {Liu, Shuai and Feng, Xin and Wang, Xuelong and Shen, Xi and Hu, Enyuan and Xiao, Ruijuan and Yu, Richeng and Yang, Haitao and Song, Ningning and Wang, Zhaoxiang and Yang, Xiaoqing and Chen, Liquan},
abstractNote = {The Li-rich layer-structured oxides are regarded one of the most promising candidates of cathode materials for high energy-density Li-ion batteries. However, the uninterrupted migration of the transition metal (TM) ions during cycling and the resultant continuous fading of their discharge potentials bring challenges to the battery design and impede their commercial applications. Various efforts have been taken to suppress the migration of the TM ions such as surface modification and elemental substitution, but no success has been achieved to date. Another strategy hereby is proposed to address these issues, in which the TM migration is promoted and the layered material is transformed to a rocksalt in the first few charge/discharge cycles by specially designing a novel Li-rich layer-structured Li1.2Mo0.6Fe0.2O2 on the basis of density functional theory calculations. With such, the continuous falling of the discharge potential is detoured due to enhanced completion of the cation mixing. In-depth studies such as aberration-corrected scanning transmission electron microscopy confirm the drastic structural change at the atomic scale, and in situ X-ray absorption spectroscopy and Mössbauer spectroscopy clarify its charge compensation mechanism. In conclusion, this new strategy provides revelation for the development of the Li-rich layered oxides with mitigated potential decay and a longer lifespan.},
doi = {10.1002/aenm.201703092},
journal = {Advanced Energy Materials},
number = 15,
volume = 8,
place = {United States},
year = {2018},
month = {2}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1002/aenm.201703092
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Cited by: 24 works
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Figures / Tables:

Figure 1 Figure 1: The in-plane arrangements of the Li and TM ions in the Li–TM layer generated by special quasi-random structure (SQS) construction method[15] in a) Li2MoO3 and b) Li1.2Mo0.6Fe0.2O2. The green, yellow, and blue spheres represent for the Li, Mo, and Fe atoms, respectively. The calculated formation energy of differentmore » Li vacancies ($E$f) against the average distance to the nearest two Mo/Fe ions (Δd) is shown for c) Li2MoO3 and d) Li1.2Mo0.6Fe0.2O2, respectively. The open and solid black circles represent for the Li ions in the Li–TM layers and in the Li layers, respectively. e) Comparison of the change of energy (ΔE) when one TM ion moves from the Li–TM layer into an Li vacancy in Li layer in Li2MoO3 and Li1.2Mo0.6Fe0.2O2.« less
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Works referenced in this record:

Review—Lithium-Excess Layered Cathodes for Lithium Rechargeable Batteries
journal, January 2015

  • Hong, Jihyun; Gwon, Hyeokjo; Jung, Sung-Kyun
  • Journal of The Electrochemical Society, Vol. 162, Issue 14
  • DOI: 10.1149/2.0071514jes

Spinel/Layered Heterostructured Cathode Material for High-Capacity and High-Rate Li-Ion Batteries
journal, June 2013

High-capacity lithium insertion materials of lithium nickel manganese oxides for advanced lithium-ion batteries: toward rechargeable capacity more than 300 mA h g−1
journal, January 2011

  • Ohzuku, Tsutomu; Nagayama, Masatoshi; Tsuji, Kyoji
  • Journal of Materials Chemistry, Vol. 21, Issue 27
  • DOI: 10.1039/c0jm04325g

Manipulating the Electronic Structure of Li-Rich Manganese-Based Oxide Using Polyanions: Towards Better Electrochemical Performance
journal, June 2014

Evidence for anionic redox activity in a tridimensional-ordered Li-rich positive electrode β-Li2IrO3
journal, February 2017

  • Pearce, Paul E.; Perez, Arnaud J.; Rousse, Gwenaelle
  • Nature Materials, Vol. 16, Issue 5
  • DOI: 10.1038/nmat4864

Density Functional Investigation on Li 2 MnO 3
journal, October 2012

  • Xiao, Ruijuan; Li, Hong; Chen, Liquan
  • Chemistry of Materials, Vol. 24, Issue 21
  • DOI: 10.1021/cm3027219

Structural and electrochemical stability of Li-rich layer structured Li2MoO3 in air
journal, July 2014

New Insight into the Atomic Structure of Electrochemically Delithiated O3-Li (1– x ) CoO 2 (0 ≤ x ≤ 0.5) Nanoparticles
journal, February 2012

  • Lu, Xia; Sun, Yang; Jian, Zelang
  • Nano Letters, Vol. 12, Issue 12
  • DOI: 10.1021/nl303036e

Mitigating Voltage Decay of Li-Rich Cathode Material via Increasing Ni Content for Lithium-Ion Batteries
journal, July 2016

  • Shi, Ji-Lei; Zhang, Jie-Nan; He, Min
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 31
  • DOI: 10.1021/acsami.6b06733

Li‐ and Mn‐Rich Cathode Materials: Challenges to Commercialization
journal, December 2016

  • Zheng, Jianming; Myeong, Seungjun; Cho, Woongrae
  • Advanced Energy Materials, Vol. 7, Issue 6
  • DOI: 10.1002/aenm.201601284

Dynamics of annular bright field imaging in scanning transmission electron microscopy
journal, June 2010

High-Energy Cathode Materials (Li 2 MnO 3 –LiMO 2 ) for Lithium-Ion Batteries
journal, March 2013

  • Yu, Haijun; Zhou, Haoshen
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 8
  • DOI: 10.1021/jz400032v

Layered/spinel heterostructured Li-rich materials synthesized by a one-step solvothermal strategy with enhanced electrochemical performance for Li-ion batteries
journal, January 2016

  • Deng, Ya-Ping; Fu, Fang; Wu, Zhen-Guo
  • Journal of Materials Chemistry A, Vol. 4, Issue 1
  • DOI: 10.1039/C5TA06945A

Countering Voltage Decay and Capacity Fading of Lithium-Rich Cathode Material at 60 °C by Hybrid Surface Protection Layers
journal, April 2015

Al Doping for Mitigating the Capacity Fading and Voltage Decay of Layered Li and Mn-Rich Cathodes for Li-Ion Batteries
journal, February 2016

  • Nayak, Prasant Kumar; Grinblat, Judith; Levi, Mikhael
  • Advanced Energy Materials, Vol. 6, Issue 8
  • DOI: 10.1002/aenm.201502398

Quantifying Hysteresis and Voltage Fade in xLi 2 MnO 3 ● (1-x)LiMn 0.5 Ni 0.5 O 2 Electrodes as a Function of Li 2 MnO 3 Content
journal, December 2013

  • Croy, Jason R.; Gallagher, Kevin G.; Balasubramanian, Mahalingam
  • Journal of The Electrochemical Society, Vol. 161, Issue 3
  • DOI: 10.1149/2.049403jes

Enhanced electrochemical performance of Ti-doped Li1.2Mn0.54Co0.13Ni0.13O2 for lithium-ion batteries
journal, June 2016

Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
journal, January 2014

Structure and bonding in Li2MoO3 and Li2−xMoO3 (0 ≤ x ≤ 1.7)
journal, September 1988

The alloy theoretic automated toolkit: A user guide
journal, December 2002

Advances in manganese-oxide ‘composite’ electrodes for lithium-ion batteries
journal, March 2005

  • Thackeray, Michael M.; Johnson, Christopher S.; Vaughey, John T.
  • Journal of Materials Chemistry, Vol. 15, Issue 23, p. 2257-2267
  • DOI: 10.1039/b417616m

Tuning charge–discharge induced unit cell breathing in layer-structured cathode materials for lithium-ion batteries
journal, November 2014

  • Zhou, Yong-Ning; Ma, Jun; Hu, Enyuan
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6381

Selecting Substituent Elements for Li-Rich Mn-Based Cathode Materials by Density Functional Theory (DFT) Calculations
journal, April 2015

Structural and Chemical Evolution of Li- and Mn-Rich Layered Cathode Material
journal, February 2015

  • Zheng, Jianming; Xu, Pinghong; Gu, Meng
  • Chemistry of Materials, Vol. 27, Issue 4
  • DOI: 10.1021/cm5045978

Origin of voltage decay in high-capacity layered oxide electrodes
journal, December 2014

  • Sathiya, M.; Abakumov, A. M.; Foix, D.
  • Nature Materials, Vol. 14, Issue 2
  • DOI: 10.1038/nmat4137

Feasibility of Using Li 2 MoO 3 in Constructing Li-Rich High Energy Density Cathode Materials
journal, May 2014

  • Ma, Jun; Zhou, Yong-Ning; Gao, Yurui
  • Chemistry of Materials, Vol. 26, Issue 10
  • DOI: 10.1021/cm501025r

Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries
journal, December 2016

  • Yabuuchi, Naoaki; Nakayama, Masanobu; Takeuchi, Mitsue
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms13814

Performance improvement of Li-rich layer-structured Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 by integration with spinel LiNi 0.5 Mn 1.5 O 4
journal, January 2015

  • Feng, Xin; Yang, Zhenzhong; Tang, Daichun
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 2
  • DOI: 10.1039/C4CP04087B

Structural stability and stabilization of Li 2 MoO 3
journal, January 2017

  • Tian, Meng; Gao, Yurui; Xiao, Ruijuan
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 27
  • DOI: 10.1039/C7CP03594B

High-capacity electrode materials for rechargeable lithium batteries: Li 3 NbO 4 -based system with cation-disordered rocksalt structure
journal, June 2015

  • Yabuuchi, Naoaki; Takeuchi, Mitsue; Nakayama, Masanobu
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 25
  • DOI: 10.1073/pnas.1504901112

Review of the U.S. Department of Energy’s “Deep Dive” Effort to Understand Voltage Fade in Li- and Mn-Rich Cathodes
journal, October 2015

  • Croy, Jason R.; Balasubramanian, Mahalingam; Gallagher, Kevin G.
  • Accounts of Chemical Research, Vol. 48, Issue 11
  • DOI: 10.1021/acs.accounts.5b00277
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    Works referencing / citing this record:

    Li–Ti Cation Mixing Enhanced Structural and Performance Stability of Li‐Rich Layered Oxide
    journal, July 2019

    Eliminating Transition Metal Migration and Anionic Redox to Understand Voltage Hysteresis of Lithium‐Rich Layered Oxides
    journal, January 2020

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