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Title: Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries

Abstract

A critical challenge in the commercialization of layer–structured Ni–rich materials is the fast capacity drop and voltage fading due to the interfacial instability and bulk structural degradation of the cathodes during battery operation. Herein, with the guidance of theoretical calculations of migration energy difference between La and Ti from the surface to the inside of LiNi0.8Co0.1Mn0.1O2, for the first time, Ti–doped and La4NiLiO8–coated LiNi0.8Co0.1Mn0.1O2 cathodes are rationally designed and prepared, via a simple and convenient dual–modification strategy of synchronous synthesis and in situ modification. Impressively, the dual modified materials show remarkably improved electrochemical performance and largely suppressed voltage fading, even under exertive operational conditions at elevated temperature and under extended cutoff voltage. Further studies reveal that the nanoscale structural degradation on material surfaces and the appearance of intergranular cracks associated with the inconsistent evolution of structural degradation at the particle level can be effectively suppressed by the synergetic effect of the conductive La4NiLiO8 coating layer and the strong Ti—O bond. As a result, the present work demonstrates that our strategy can simultaneously address the two issues with respect to interfacial instability and bulk structural degradation, and it represents a significant progress in the development of advanced cathode materials for high–performancemore » lithium–ion batteries.« less

Authors:
 [1];  [2];  [3];  [1];  [4];  [1];  [1];  [1];  [5];  [1];  [1];  [3];  [2];  [3];  [6]; ORCiD logo [4]
  1. Changsha Univ. of Science and Technology, Changsha (People's Republic of China)
  2. Univ. of Nebraska‐Lincoln, Lincoln, NE (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Argonne National Lab. (ANL), Argonne, IL (United States)
  5. NingDe Ampere Technology Ltd., Fujian (China)
  6. Xiamen Univ., Fujian (China)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1513538
Alternate Identifier(s):
OSTI ID: 1493848; OSTI ID: 1506672
Report Number(s):
BNL-211647-2019-JAAM
Journal ID: ISSN 1616-301X
Grant/Contract Number:  
SC0012704; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 13; Journal ID: ISSN 1616-301X
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DFT calculation; dual‐modification strategy; lithium‐ion batteries; Ni‐rich materials; synchronous synthesis

Citation Formats

Yang, Huiping, Wu, Hong ‐Hui, Ge, Mingyuan, Li, Lingjun, Yuan, Yifei, Yao, Qi, Chen, Jie, Xia, Lingfeng, Zheng, Jiangming, Chen, Zhaoyong, Duan, Junfei, Kisslinger, Kim, Zeng, Xiao Cheng, Lee, Wah ‐Keat, Zhang, Qiaobao, and Lu, Jun. Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries. United States: N. p., 2019. Web. doi:10.1002/adfm.201808825.
Yang, Huiping, Wu, Hong ‐Hui, Ge, Mingyuan, Li, Lingjun, Yuan, Yifei, Yao, Qi, Chen, Jie, Xia, Lingfeng, Zheng, Jiangming, Chen, Zhaoyong, Duan, Junfei, Kisslinger, Kim, Zeng, Xiao Cheng, Lee, Wah ‐Keat, Zhang, Qiaobao, & Lu, Jun. Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries. United States. doi:10.1002/adfm.201808825.
Yang, Huiping, Wu, Hong ‐Hui, Ge, Mingyuan, Li, Lingjun, Yuan, Yifei, Yao, Qi, Chen, Jie, Xia, Lingfeng, Zheng, Jiangming, Chen, Zhaoyong, Duan, Junfei, Kisslinger, Kim, Zeng, Xiao Cheng, Lee, Wah ‐Keat, Zhang, Qiaobao, and Lu, Jun. Thu . "Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries". United States. doi:10.1002/adfm.201808825. https://www.osti.gov/servlets/purl/1513538.
@article{osti_1513538,
title = {Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries},
author = {Yang, Huiping and Wu, Hong ‐Hui and Ge, Mingyuan and Li, Lingjun and Yuan, Yifei and Yao, Qi and Chen, Jie and Xia, Lingfeng and Zheng, Jiangming and Chen, Zhaoyong and Duan, Junfei and Kisslinger, Kim and Zeng, Xiao Cheng and Lee, Wah ‐Keat and Zhang, Qiaobao and Lu, Jun},
abstractNote = {A critical challenge in the commercialization of layer–structured Ni–rich materials is the fast capacity drop and voltage fading due to the interfacial instability and bulk structural degradation of the cathodes during battery operation. Herein, with the guidance of theoretical calculations of migration energy difference between La and Ti from the surface to the inside of LiNi0.8Co0.1Mn0.1O2, for the first time, Ti–doped and La4NiLiO8–coated LiNi0.8Co0.1Mn0.1O2 cathodes are rationally designed and prepared, via a simple and convenient dual–modification strategy of synchronous synthesis and in situ modification. Impressively, the dual modified materials show remarkably improved electrochemical performance and largely suppressed voltage fading, even under exertive operational conditions at elevated temperature and under extended cutoff voltage. Further studies reveal that the nanoscale structural degradation on material surfaces and the appearance of intergranular cracks associated with the inconsistent evolution of structural degradation at the particle level can be effectively suppressed by the synergetic effect of the conductive La4NiLiO8 coating layer and the strong Ti—O bond. As a result, the present work demonstrates that our strategy can simultaneously address the two issues with respect to interfacial instability and bulk structural degradation, and it represents a significant progress in the development of advanced cathode materials for high–performance lithium–ion batteries.},
doi = {10.1002/adfm.201808825},
journal = {Advanced Functional Materials},
number = 13,
volume = 29,
place = {United States},
year = {2019},
month = {2}
}

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Works referenced in this record:

Factors affecting cycling life of LiNi 0.8 Co 0.15 Al 0.05 O 2 for lithium-ion batteries
journal, January 2016

  • Makimura, Yoshinari; Sasaki, Tsuyoshi; Nonaka, Takamasa
  • Journal of Materials Chemistry A, Vol. 4, Issue 21
  • DOI: 10.1039/C6TA01251E

LiLaPO4-coated Li[Ni0.5Co0.2Mn0.3]O2 and AlF3-coated Li[Ni0.5Co0.2Mn0.3]O2 blend composite for lithium ion batteries
journal, October 2012


Reaction mechanism and kinetics of lithium ion battery cathode material LiNiO2 with CO2
journal, November 2007


Controllable Solid Electrolyte Interphase in Nickel-Rich Cathodes by an Electrochemical Rearrangement for Stable Lithium-Ion Batteries
journal, December 2017


Improved Cycling Stability of Na-Doped Cathode Materials Li 1.2 Ni 0.2 Mn 0.6 O 2 via a Facile Synthesis
journal, August 2018


Fluorescent Anion Receptor of Tweezer-type: Using Pyrene Amide Unit with Cationic Pyridinium Skeleton
journal, December 2009


Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries
journal, March 2014

  • Lin, Feng; Markus, Isaac M.; Nordlund, Dennis
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4529

Mn(II) deposition on anodes and its effects on capacity fade in spinel lithium manganate–carbon systems
journal, September 2013

  • Zhan, Chun; Lu, Jun; Jeremy Kropf, A.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3437

A grid-based Bader analysis algorithm without lattice bias
journal, January 2009


Improved high voltage electrochemical performance of Li2ZrO3-coated LiNi0.5Co0.2Mn0.3O2 cathode material
journal, October 2015


Unraveling the Origin of Instability in Ni-Rich LiNi 1–2 x Co x Mn x O 2 (NCM) Cathode Materials
journal, March 2016

  • Liang, Chaoping; Kong, Fantai; Longo, Roberto C.
  • The Journal of Physical Chemistry C, Vol. 120, Issue 12
  • DOI: 10.1021/acs.jpcc.6b00369

Effect of Al substitution sites on Li 1−x Al x (Ni 0.5 Co 0.2 Mn 0.3 ) 1−y Al y O 2 cathode materials for lithium ion batteries
journal, November 2016


Oxygen Release Induced Chemomechanical Breakdown of Layered Cathode Materials
journal, April 2018


High dielectric constant gate oxides for metal oxide Si transistors
journal, December 2005


Multiple Linkage Modification of Lithium-Rich Layered Oxide Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 for Lithium Ion Battery
journal, August 2018

  • Zheng, Jun-chao; Yang, Zhuo; Wang, Peng-bo
  • ACS Applied Materials & Interfaces, Vol. 10, Issue 37
  • DOI: 10.1021/acsami.8b09256

Electrochemical and Physical Properties of Ti-Substituted Layered Nickel Manganese Cobalt Oxide (NMC) Cathode Materials
journal, January 2012

  • Kam, Kinson C.; Mehta, Apurva; Heron, John T.
  • Journal of The Electrochemical Society, Vol. 159, Issue 8
  • DOI: 10.1149/2.060208jes

Dissolution, migration, and deposition of transition metal ions in Li-ion batteries exemplified by Mn-based cathodes – a critical review
journal, January 2018

  • Zhan, Chun; Wu, Tianpin; Lu, Jun
  • Energy & Environmental Science, Vol. 11, Issue 2
  • DOI: 10.1039/C7EE03122J

High-voltage positive electrode materials for lithium-ion batteries
journal, January 2017

  • Li, Wangda; Song, Bohang; Manthiram, Arumugam
  • Chemical Society Reviews, Vol. 46, Issue 10
  • DOI: 10.1039/C6CS00875E

Cation Ordering of Zr-Doped LiNiO 2 Cathode for Lithium-Ion Batteries
journal, February 2018


Investigation on the effect of Na doping on structure and Li-ion kinetics of layered LiNi0.6Co0.2Mn0.2O2 cathode material
journal, February 2016


Nanostructured high-energy cathode materials for advanced lithium batteries
journal, October 2012

  • Sun, Yang-Kook; Chen, Zonghai; Noh, Hyung-Joo
  • Nature Materials, Vol. 11, Issue 11
  • DOI: 10.1038/nmat3435

The cathode–electrolyte interface in the Li-ion battery
journal, November 2004


Coupling of electrochemically triggered thermal and mechanical effects to aggravate failure in a layered cathode
journal, June 2018


Microstructural Degradation of Ni-Rich Li[Ni x Co y Mn 1 −x−y ]O 2 Cathodes During Accelerated Calendar Aging
journal, September 2018


TomoPy: a framework for the analysis of synchrotron tomographic data
journal, August 2014

  • Gürsoy, Dogˇa; De Carlo, Francesco; Xiao, Xianghui
  • Journal of Synchrotron Radiation, Vol. 21, Issue 5
  • DOI: 10.1107/S1600577514013939

Development of Microstrain in Aged Lithium Transition Metal Oxides
journal, June 2014

  • Lee, Eung-Ju; Chen, Zonghai; Noh, Hyung-Ju
  • Nano Letters, Vol. 14, Issue 8
  • DOI: 10.1021/nl5022859

Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: zirconium-doped LiNi 0.6 Co 0.2 Mn 0.2 O 2
journal, January 2016

  • Schipper, Florian; Dixit, Mudit; Kovacheva, Daniela
  • Journal of Materials Chemistry A, Vol. 4, Issue 41
  • DOI: 10.1039/C6TA06740A

Layered Li x Ni y Mn y Co 1-2 y O 2 Cathodes for Lithium Ion Batteries:  Understanding Local Structure via Magnetic Properties
journal, September 2007

  • Chernova, Natasha A.; Ma, Miaomiao; Xiao, Jie
  • Chemistry of Materials, Vol. 19, Issue 19
  • DOI: 10.1021/cm0708867

30 Years of Lithium-Ion Batteries
journal, June 2018


Effect of titanium addition as nickel oxide formation inhibitor in nickel-rich cathode material for lithium-ion batteries
journal, December 2015


Improved cyclic stability of LiNi0.8Co0.1Mn0.1O2 via Ti substitution with a cut-off potential of 4.5V
journal, June 2015


Role of LaNiO3 in suppressing voltage decay of layered lithium-rich cathode materials
journal, January 2018


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013

  • Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
  • APL Materials, Vol. 1, Issue 1
  • DOI: 10.1063/1.4812323

Modified High-Nickel Cathodes with Stable Surface Chemistry Against Ambient Air for Lithium-Ion Batteries
journal, April 2018

  • You, Ya; Celio, Hugo; Li, Jianyu
  • Angewandte Chemie International Edition, Vol. 57, Issue 22
  • DOI: 10.1002/anie.201801533

Intragranular cracking as a critical barrier for high-voltage usage of layer-structured cathode for lithium-ion batteries
journal, January 2017

  • Yan, Pengfei; Zheng, Jianming; Gu, Meng
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14101

Atomic Layer Deposition of Stable LiAlF 4 Lithium Ion Conductive Interfacial Layer for Stable Cathode Cycling
journal, July 2017


One-minute nano-tomography using hard X-ray full-field transmission microscope
journal, August 2018

  • Ge, Mingyuan; Coburn, David Scott; Nazaretski, Evgeny
  • Applied Physics Letters, Vol. 113, Issue 8
  • DOI: 10.1063/1.5048378

Role of V2O5 coating on LiNiO2-based materials for lithium ion battery
journal, January 2014


Nickel-Rich Layered Cathode Materials for Automotive Lithium-Ion Batteries: Achievements and Perspectives
journal, December 2016


Enhanced electrochemical properties of LiCo0.5Ni0.5O2 by Ti-doping: A first-principle study
journal, March 2015


Reaction Heterogeneity in LiNi 0.8 Co 0.15 Al 0.05 O 2 Induced by Surface Layer
journal, August 2017


Nickel-Rich and Lithium-Rich Layered Oxide Cathodes: Progress and Perspectives
journal, October 2015

  • Manthiram, Arumugam; Knight, James C.; Myung, Seung-Taek
  • Advanced Energy Materials, Vol. 6, Issue 1
  • DOI: 10.1002/aenm.201501010

MnPO 4 -Coated Li(Ni 0.4 Co 0.2 Mn 0.4 )O 2 for Lithium(-Ion) Batteries with Outstanding Cycling Stability and Enhanced Lithiation Kinetics
journal, August 2018

  • Chen, Zhen; Kim, Guk-Tae; Bresser, Dominic
  • Advanced Energy Materials, Vol. 8, Issue 27
  • DOI: 10.1002/aenm.201801573

Electronic structures and thermoelectric properties of layered BiCuOCh oxychalcogenides (Ch = S, Se and Te): first-principles calculations
journal, January 2013

  • Zou, Daifeng; Xie, Shuhong; Liu, Yunya
  • Journal of Materials Chemistry A, Vol. 1, Issue 31
  • DOI: 10.1039/c3ta11222e

Mg doping and zirconium oxyfluoride coating co-modification to enhance the high-voltage performance of LiCoO2 for lithium ion battery
journal, February 2015


Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox
journal, December 2017


Enhancing Interfacial Bonding between Anisotropically Oriented Grains Using a Glue-Nanofiller for Advanced Li-Ion Battery Cathode
journal, April 2016


Structural Changes and Thermal Stability of Charged LiNi x Mn y Co z O 2 Cathode Materials Studied by Combined In Situ Time-Resolved XRD and Mass Spectroscopy
journal, December 2014

  • Bak, Seong-Min; Hu, Enyuan; Zhou, Yongning
  • ACS Applied Materials & Interfaces, Vol. 6, Issue 24
  • DOI: 10.1021/am506712c

    Works referencing / citing this record:

    Enhanced electrochemical performance of LiNi0.8Co0.1Mn0.1O2 cathode via wet-chemical coating of MgO
    journal, June 2019


    Monolayer triphosphates MP 3 (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction
    journal, January 2019

    • Wu, Hong-Hui; Huang, He; Zhong, Jie
    • Nanoscale, Vol. 11, Issue 25
    • DOI: 10.1039/c9nr03255j

    Enhanced electrochemical performance of LiNi0.8Co0.1Mn0.1O2 cathode via wet-chemical coating of MgO
    journal, June 2019


    Monolayer triphosphates MP 3 (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction
    journal, January 2019

    • Wu, Hong-Hui; Huang, He; Zhong, Jie
    • Nanoscale, Vol. 11, Issue 25
    • DOI: 10.1039/c9nr03255j