Lattice doping regulated interfacial reactions in cathode for enhanced cycling stability

Zou, Lianfeng; Li, Jianyu; Liu, Zhenyu; Wang, Guofeng; Manthiram, Arumugam; Wang, Chongmin

doi:10.1038/s41467-019-11299-2

Title: Lattice doping regulated interfacial reactions in cathode for enhanced cycling stability

Journal Article · 01 August 2019 · Nature Communications

DOI: https://doi.org/10.1038/s41467-019-11299-2 · OSTI ID:1644162

Zou, Lianfeng ^[1]; Li, Jianyu ^[2]; Liu, Zhenyu ^[3]; Wang, Guofeng ^[3];

^[4];

^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Science Lab
Univ. of Texas, Austin, TX (United States). McKetta Dept. of Chemical Engineering & Texas Materials Inst.
Univ. of Pittsburgh, Pittsburgh, PA (United States). Dept. of Mechanical Engineering and Materials Science
Univ. of Texas, Austin, TX (United States). Materials Science and Engineering Program and Texas Materials Inst.

Interfacial reactions between electrode and electrolyte are critical, either beneficial or detrimental, for the performance of rechargeable batteries. The general approaches of controlling interfacial reactions are either applying a coating layer on cathode or modifying the electrolyte chemistry. Here we demonstrate an approach of modification of interfacial reactions through dilute lattice doping for enhanced battery properties. Using atomic level imaging, spectroscopic analysis and density functional theory calculation, we reveal aluminum dopants in lithium nickel cobalt aluminum oxide are partially dissolved in the bulk lattice with a tendency of enrichment near the primary particle surface and partially exist as aluminum oxide nano-islands that are epitaxially dressed on the primary particle surface. The aluminum concentrated surface lowers transition metal redox energy level and consequently promotes the formation of a stable cathode-electrolyte interphase. The present observations demonstrate a general principle as how the trace dopants modify the solid-liquid interfacial reactions for enhanced performance.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1644162

Alternate ID(s):: OSTI ID: 1571502

Report Number(s):: PNNL-SA-144976

Journal Information:: Nature Communications, Vol. 10, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 109 works

Citation information provided by
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Kinetic Study of Parasitic Reactions in Lithium-Ion Batteries: A Case Study on LiNi _0.6 Mn _0.2 Co _0.2 O ₂ Zeng, Xiaoqiao; Xu, Gui-Liang; Li, Yan ACS Applied Materials & Interfaces, Vol. 8, Issue 5 https://doi.org/10.1021/acsami.5b11800	journal	January 2016
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K ⁺ -Doped Li _1.2 Mn _0.54 Co _0.13 Ni _0.13 O ₂ : A Novel Cathode Material with an Enhanced Cycling Stability for Lithium-Ion Batteries Li, Qi; Li, Guangshe; Fu, Chaochao ACS Applied Materials & Interfaces, Vol. 6, Issue 13 https://doi.org/10.1021/am5017649	journal	June 2014
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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) Guilmard, M.; Croguennec, L.; Denux, D. Chemistry of Materials, Vol. 15, Issue 23 https://doi.org/10.1021/cm030059f	journal	November 2003
Challenges for Rechargeable Li Batteries Goodenough, John B.; Kim, Youngsik Chemistry of Materials, Vol. 22, Issue 3, p. 587-603 https://doi.org/10.1021/cm901452z	journal	February 2010
Lithium Insertion into Transition-Metal Monosulfides: Tuning the Position of the Metal 4s Band Kim, Youngsik; Goodenough, John B. The Journal of Physical Chemistry C, Vol. 112, Issue 38 https://doi.org/10.1021/jp8038847	journal	August 2008
Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries Assat, Gaurav; Tarascon, Jean-Marie Nature Energy, Vol. 3, Issue 5 https://doi.org/10.1038/s41560-018-0097-0	journal	April 2018
Double roles of aluminium ion on surface-modified spinel LiMn1.97Ti0.03O4 Xiong, Lilong; Xu, Youlong; Tao, Tao Journal of Materials Chemistry, Vol. 21, Issue 13 https://doi.org/10.1039/c0jm03498c	journal	January 2011
Layered lithium transition metal oxide cathodes towards high energy lithium-ion batteries He, Ping; Yu, Haijun; Li, De Journal of Materials Chemistry, Vol. 22, Issue 9 https://doi.org/10.1039/c2jm14305d	journal	January 2012
In Situ XRD of Highly Charged and Discharged Li Nikolowski, Kristian M.; Bramnik, Natalia; Baehtz, Carsten 208th ECS Meeting, ECS Transactions https://doi.org/10.1149/1.2209353	conference	January 2006
Effect of Aluminum Substitution on the Structure, Electrochemical Performance and Thermal Stability of Li1+x(Ni0.40Mn0.40Co0.20−zAlz)1−xO2 Croguennec, L.; Bains, J.; Bréger, J. Journal of The Electrochemical Society, Vol. 158, Issue 6 https://doi.org/10.1149/1.3571479	journal	January 2011
Cycling Behavior of NCM523/Graphite Lithium-Ion Cells in the 3–4.4 V Range: Diagnostic Studies of Full Cells and Harvested Electrodes Gilbert, James A.; Bareño, Javier; Spila, Timothy Journal of The Electrochemical Society, Vol. 164, Issue 1 https://doi.org/10.1149/2.0081701jes	journal	September 2016
Mitigation of Layered to Spinel Conversion of a Li-Rich Layered Metal Oxide Cathode Material for Li-Ion Batteries Ates, Mehmet Nurullah; Jia, Qingying; Shah, Ankita Journal of The Electrochemical Society, Vol. 161, Issue 3 https://doi.org/10.1149/2.040403jes	journal	December 2013
Unraveling the Effects of Al Doping on the Electrochemical Properties of LiNi _0.5 Co _0.2 Mn _0.3 O ₂ Using First Principles Dixit, Mudit; Markovsky, Boris; Aurbach, Doron Journal of The Electrochemical Society, Vol. 164, Issue 1 https://doi.org/10.1149/2.0561701jes	journal	January 2017
Study of the Failure Mechanisms of LiNi _0.8 Mn _0.1 Co _0.1 O ₂ Cathode Material for Lithium Ion Batteries Li, Jing; Downie, Laura E.; Ma, Lin Journal of The Electrochemical Society, Vol. 162, Issue 7 https://doi.org/10.1149/2.1011507jes	journal	January 2015
Transition Metal Dissolution, Ion Migration, Electrocatalytic Reduction and Capacity Loss in Lithium-Ion Full Cells Gilbert, James A.; Shkrob, Ilya A.; Abraham, Daniel P. Journal of The Electrochemical Society, Vol. 164, Issue 2 https://doi.org/10.1149/2.1111702jes	journal	December 2016
Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries -- the impact of the computational scheme Novčić, Katarina A.; Dobrota, Ana S.; Petković, Milena arXiv https://doi.org/10.48550/arxiv.2006.12912	preprint	January 2020

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Unveiling Nickel Chemistry in Stabilizing High‐Voltage Cobalt‐Rich Cathodes for Lithium‐Ion Batteries Yoon, Moonsu; Dong, Yanhao; Yoo, Youngbin Advanced Functional Materials, Vol. 30, Issue 6 https://doi.org/10.1002/adfm.201907903	journal	November 2019
A Comprehensive Analysis of the Interphasial and Structural Evolution over Long‐Term Cycling of Ultrahigh‐Nickel Cathodes in Lithium‐Ion Batteries Li, Jianyu; Manthiram, Arumugam Advanced Energy Materials, Vol. 9, Issue 45 https://doi.org/10.1002/aenm.201902731	journal	October 2019
A reflection on lithium-ion battery cathode chemistry Manthiram, Arumugam Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15355-0	journal	March 2020

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