Structural, electrochemical and Li-ion transport properties of Zr-modified LiNi0.8Co0.1Mn0.1O2 positive electrode materials for Li-ion batteries

Shuang Gao; Xiaowen Zhan; Yang Tse Cheng

doi:10.1016/j.jpowsour.2018.10.094

Structural, electrochemical and Li-ion transport properties of Zr-modified LiNi_0.8Co_0.1Mn_0.1O₂ positive electrode materials for Li-ion batteries

Shuang Gao
, Xiaowen Zhan
, Yang Tse Cheng

Research output: Contribution to journal › Article › peer-review

193 Scopus citations

Abstract

We modify a nickel-rich layered LiNi_0.8Co_0.1Mn_0.1O₂ (NCM811) positive electrode material by substituting the transition metals with Zr to mitigate its structural instability and capacity degradation. We show that Zr, over a concentration range of 0.5–5.0 at.%, can simultaneously reside on and expand the lattice of NCM811 and form Li-rich lithium zirconates on their surfaces. In particular, Li(Ni_0.8Co_0.1Mn_0.1)_0.99Zr_0.01O₂ (1% Zr-NCM811) exhibits the best rate capability among all the compositions in this study. It shows higher cycling durability than the raw NCM811 at both low and high current density lithiation and de-lithiation. According to X-ray photoelectron spectroscopy and cyclic voltammetry measurements, the 1% Zr-NCM811 sample is more chemically/electrochemically stable than the raw. In addition to comparing the diffusivities in the coin-cell measurements, we demonstrate that Zr modification can facilitate Li-ion diffusion in the NCM811 balk material by direct-current polarization measurements. The superior performance of Zr-NCM811 results from the lattice expansion induced by Zr doping and the presence of ion-conducting lithium zirconates partially coated on the surface of Zr-NCM811 particles.

Original language	English
Pages (from-to)	45-52
Number of pages	8
Journal	Journal of Power Sources
Volume	410-411
DOIs	https://doi.org/10.1016/j.jpowsour.2018.10.094
State	Published - Jan 15 2019

Bibliographical note

Publisher Copyright:
© 2018 Elsevier B.V.

Funding

Use of the Advanced Photon Source at Argonne National Laboratory was provided by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors would like to acknowledge the support from US National Science Foundation Award 1355438 (Powering the Kentucky Bioeconomy for a Sustainable Future). The authors would also like to thank the Department of Chemical and Materials Engineering at the University of Kentucky for partial financial support of this work. Use of the Advanced Photon Source at Argonne National Laboratory was provided by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences , under Contract No. DE-AC02-06CH11357 . The authors would like to acknowledge the support from US National Science Foundation Award 1355438 (Powering the Kentucky Bioeconomy for a Sustainable Future). The authors would also like to thank the Department of Chemical and Materials Engineering at the University of Kentucky for partial financial support of this work.

Funders	Funder number
Department of Chemical and Materials Engineering at the University of Kentucky
Office of Basic Energy Sciences
Powering the Kentucky Bioeconomy
U. S. Department of Energy
U.S. Department of Energy Chinese Academy of Sciences Guangzhou Municipal Science and Technology Project Oak Ridge National Laboratory Extreme Science and Engineering Discovery Environment National Science Foundation National Energy Research Scientific Computing Center National Natural Science Foundation of China	1355438
U.S. Department of Energy Chinese Academy of Sciences Guangzhou Municipal Science and Technology Project Oak Ridge National Laboratory Extreme Science and Engineering Discovery Environment National Science Foundation National Energy Research Scientific Computing Center National Natural Science Foundation of China
National Science Foundation Office of International Science and Engineering
University of Kentucky

Keywords

Direct current polarization
Li-ion battery
Li-ion diffusion
Ni-rich cathode
Zirconates coating
Zirconium doping

ASJC Scopus subject areas

Renewable Energy, Sustainability and the Environment
Energy Engineering and Power Technology
Physical and Theoretical Chemistry
Electrical and Electronic Engineering

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/j.jpowsour.2018.10.094

Cite this

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title = "Structural, electrochemical and Li-ion transport properties of Zr-modified LiNi0.8Co0.1Mn0.1O2 positive electrode materials for Li-ion batteries",

abstract = "We modify a nickel-rich layered LiNi0.8Co0.1Mn0.1O2 (NCM811) positive electrode material by substituting the transition metals with Zr to mitigate its structural instability and capacity degradation. We show that Zr, over a concentration range of 0.5–5.0 at.\%, can simultaneously reside on and expand the lattice of NCM811 and form Li-rich lithium zirconates on their surfaces. In particular, Li(Ni0.8Co0.1Mn0.1)0.99Zr0.01O2 (1\% Zr-NCM811) exhibits the best rate capability among all the compositions in this study. It shows higher cycling durability than the raw NCM811 at both low and high current density lithiation and de-lithiation. According to X-ray photoelectron spectroscopy and cyclic voltammetry measurements, the 1\% Zr-NCM811 sample is more chemically/electrochemically stable than the raw. In addition to comparing the diffusivities in the coin-cell measurements, we demonstrate that Zr modification can facilitate Li-ion diffusion in the NCM811 balk material by direct-current polarization measurements. The superior performance of Zr-NCM811 results from the lattice expansion induced by Zr doping and the presence of ion-conducting lithium zirconates partially coated on the surface of Zr-NCM811 particles.",

keywords = "Direct current polarization, Li-ion battery, Li-ion diffusion, Ni-rich cathode, Zirconates coating, Zirconium doping",

author = "Shuang Gao and Xiaowen Zhan and Cheng, \{Yang Tse\}",

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year = "2019",

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doi = "10.1016/j.jpowsour.2018.10.094",

language = "English",

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T1 - Structural, electrochemical and Li-ion transport properties of Zr-modified LiNi0.8Co0.1Mn0.1O2 positive electrode materials for Li-ion batteries

AU - Gao, Shuang

AU - Zhan, Xiaowen

AU - Cheng, Yang Tse

PY - 2019/1/15

Y1 - 2019/1/15

N2 - We modify a nickel-rich layered LiNi0.8Co0.1Mn0.1O2 (NCM811) positive electrode material by substituting the transition metals with Zr to mitigate its structural instability and capacity degradation. We show that Zr, over a concentration range of 0.5–5.0 at.%, can simultaneously reside on and expand the lattice of NCM811 and form Li-rich lithium zirconates on their surfaces. In particular, Li(Ni0.8Co0.1Mn0.1)0.99Zr0.01O2 (1% Zr-NCM811) exhibits the best rate capability among all the compositions in this study. It shows higher cycling durability than the raw NCM811 at both low and high current density lithiation and de-lithiation. According to X-ray photoelectron spectroscopy and cyclic voltammetry measurements, the 1% Zr-NCM811 sample is more chemically/electrochemically stable than the raw. In addition to comparing the diffusivities in the coin-cell measurements, we demonstrate that Zr modification can facilitate Li-ion diffusion in the NCM811 balk material by direct-current polarization measurements. The superior performance of Zr-NCM811 results from the lattice expansion induced by Zr doping and the presence of ion-conducting lithium zirconates partially coated on the surface of Zr-NCM811 particles.

AB - We modify a nickel-rich layered LiNi0.8Co0.1Mn0.1O2 (NCM811) positive electrode material by substituting the transition metals with Zr to mitigate its structural instability and capacity degradation. We show that Zr, over a concentration range of 0.5–5.0 at.%, can simultaneously reside on and expand the lattice of NCM811 and form Li-rich lithium zirconates on their surfaces. In particular, Li(Ni0.8Co0.1Mn0.1)0.99Zr0.01O2 (1% Zr-NCM811) exhibits the best rate capability among all the compositions in this study. It shows higher cycling durability than the raw NCM811 at both low and high current density lithiation and de-lithiation. According to X-ray photoelectron spectroscopy and cyclic voltammetry measurements, the 1% Zr-NCM811 sample is more chemically/electrochemically stable than the raw. In addition to comparing the diffusivities in the coin-cell measurements, we demonstrate that Zr modification can facilitate Li-ion diffusion in the NCM811 balk material by direct-current polarization measurements. The superior performance of Zr-NCM811 results from the lattice expansion induced by Zr doping and the presence of ion-conducting lithium zirconates partially coated on the surface of Zr-NCM811 particles.

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KW - Li-ion battery

KW - Li-ion diffusion

KW - Ni-rich cathode

KW - Zirconates coating

KW - Zirconium doping

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