Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: Zirconium-doped LiNi0.6Co0.2Mn0.2O2

Florian Schipper; Mudit Dixit; Daniela Kovacheva; Michael Talianker; Ortal Haik; Judith Grinblat; Evan M. Erickson; Chandan Ghanty; Dan T. Major; Boris Markovsky; Doron Aurbach

doi:10.1039/c6ta06740a

Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: Zirconium-doped LiNi_0.6Co_0.2Mn_0.2O₂

Florian Schipper, Mudit Dixit, Daniela Kovacheva, Michael Talianker, Ortal Haik, Judith Grinblat, Evan M. Erickson, Chandan Ghanty, Dan T. Major, Boris Markovsky, Doron Aurbach

Department of Materials Engineering

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

303 Scopus citations

Abstract

Ni-rich layered lithiated transition metal oxides Li[Ni_xCo_yMn_z]O₂ (x + y + z = 1) are the most promising materials for positive electrodes for advanced Li-ion batteries. However, one of the drawbacks of these materials is their low intrinsic stability during prolonged cycling. In this work, we present lattice doping as a strategy to improve the structural stability and voltage fade on prolonged cycling of LiNi_0.6Co_0.2Mn_0.2O₂ (NCM-622) doped with zirconium (+4). It was found that LiNi_0.56Zr_0.04Co_0.2Mn_0.2O₂ is stable upon galvanostatic cycling, in contrast to the undoped material, which undergoes partial structural layered-to-spinel transformation during cycling. The current study provides sub-nanoscale insight into the role of Zr⁴⁺ doping on such a transformation in Ni-rich Li[Ni_xCo_yMn_z]O₂ materials by adopting a combined experimental and first-principles theory approach. A possible mechanism for a Ni-mediated layered-to-spinel transformation in Ni-rich NCMs is also proposed.

Original language	English
Pages (from-to)	16073-16084
Number of pages	12
Journal	Journal of Materials Chemistry A
Volume	4
Issue number	41
DOIs	https://doi.org/10.1039/c6ta06740a
State	Published - 1 Jan 2016

ASJC Scopus subject areas

General Chemistry
Renewable Energy, Sustainability and the Environment
General Materials Science

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10.1039/c6ta06740a

Cite this

Schipper, F., Dixit, M., Kovacheva, D., Talianker, M., Haik, O., Grinblat, J., Erickson, E. M., Ghanty, C., Major, D. T., Markovsky, B., & Aurbach, D. (2016). Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: Zirconium-doped LiNi_0.6Co_0.2Mn_0.2O₂. Journal of Materials Chemistry A, 4(41), 16073-16084. https://doi.org/10.1039/c6ta06740a

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title = "Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: Zirconium-doped LiNi0.6Co0.2Mn0.2O2",

abstract = "Ni-rich layered lithiated transition metal oxides Li[NixCoyMnz]O2 (x + y + z = 1) are the most promising materials for positive electrodes for advanced Li-ion batteries. However, one of the drawbacks of these materials is their low intrinsic stability during prolonged cycling. In this work, we present lattice doping as a strategy to improve the structural stability and voltage fade on prolonged cycling of LiNi0.6Co0.2Mn0.2O2 (NCM-622) doped with zirconium (+4). It was found that LiNi0.56Zr0.04Co0.2Mn0.2O2 is stable upon galvanostatic cycling, in contrast to the undoped material, which undergoes partial structural layered-to-spinel transformation during cycling. The current study provides sub-nanoscale insight into the role of Zr4+ doping on such a transformation in Ni-rich Li[NixCoyMnz]O2 materials by adopting a combined experimental and first-principles theory approach. A possible mechanism for a Ni-mediated layered-to-spinel transformation in Ni-rich NCMs is also proposed.",

author = "Florian Schipper and Mudit Dixit and Daniela Kovacheva and Michael Talianker and Ortal Haik and Judith Grinblat and Erickson, {Evan M.} and Chandan Ghanty and Major, {Dan T.} and Boris Markovsky and Doron Aurbach",

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year = "2016",

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doi = "10.1039/c6ta06740a",

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Schipper, F, Dixit, M, Kovacheva, D, Talianker, M, Haik, O, Grinblat, J, Erickson, EM, Ghanty, C, Major, DT, Markovsky, B & Aurbach, D 2016, 'Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: Zirconium-doped LiNi_0.6Co_0.2Mn_0.2O₂', Journal of Materials Chemistry A, vol. 4, no. 41, pp. 16073-16084. https://doi.org/10.1039/c6ta06740a

TY - JOUR

T1 - Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy

T2 - Zirconium-doped LiNi0.6Co0.2Mn0.2O2

AU - Schipper, Florian

AU - Dixit, Mudit

AU - Kovacheva, Daniela

AU - Talianker, Michael

AU - Haik, Ortal

AU - Grinblat, Judith

AU - Erickson, Evan M.

AU - Ghanty, Chandan

AU - Major, Dan T.

AU - Markovsky, Boris

AU - Aurbach, Doron

PY - 2016/1/1

Y1 - 2016/1/1

N2 - Ni-rich layered lithiated transition metal oxides Li[NixCoyMnz]O2 (x + y + z = 1) are the most promising materials for positive electrodes for advanced Li-ion batteries. However, one of the drawbacks of these materials is their low intrinsic stability during prolonged cycling. In this work, we present lattice doping as a strategy to improve the structural stability and voltage fade on prolonged cycling of LiNi0.6Co0.2Mn0.2O2 (NCM-622) doped with zirconium (+4). It was found that LiNi0.56Zr0.04Co0.2Mn0.2O2 is stable upon galvanostatic cycling, in contrast to the undoped material, which undergoes partial structural layered-to-spinel transformation during cycling. The current study provides sub-nanoscale insight into the role of Zr4+ doping on such a transformation in Ni-rich Li[NixCoyMnz]O2 materials by adopting a combined experimental and first-principles theory approach. A possible mechanism for a Ni-mediated layered-to-spinel transformation in Ni-rich NCMs is also proposed.

AB - Ni-rich layered lithiated transition metal oxides Li[NixCoyMnz]O2 (x + y + z = 1) are the most promising materials for positive electrodes for advanced Li-ion batteries. However, one of the drawbacks of these materials is their low intrinsic stability during prolonged cycling. In this work, we present lattice doping as a strategy to improve the structural stability and voltage fade on prolonged cycling of LiNi0.6Co0.2Mn0.2O2 (NCM-622) doped with zirconium (+4). It was found that LiNi0.56Zr0.04Co0.2Mn0.2O2 is stable upon galvanostatic cycling, in contrast to the undoped material, which undergoes partial structural layered-to-spinel transformation during cycling. The current study provides sub-nanoscale insight into the role of Zr4+ doping on such a transformation in Ni-rich Li[NixCoyMnz]O2 materials by adopting a combined experimental and first-principles theory approach. A possible mechanism for a Ni-mediated layered-to-spinel transformation in Ni-rich NCMs is also proposed.

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