In-situ neutron diffraction study of the xLi2MnO3·(1 - X)LiMO2 (x=0, 0.5; M=Ni, Mn, Co) layered oxide compounds during electrochemical cycling

Haodong Liu; Christopher R. Fell; Ke An; Lu Cai; Ying Shirley Meng

doi:10.1016/j.jpowsour.2013.04.149

In-situ neutron diffraction study of the xLi₂MnO₃·(1 - X)LiMO₂ (x=0, 0.5; M=Ni, Mn, Co) layered oxide compounds during electrochemical cycling

Haodong Liu, Christopher R. Fell, Ke An, Lu Cai, Ying Shirley Meng

Materials Engineering

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

79 Scopus citations

Abstract

The layered oxide compounds xLi₂MnO₃·(1 - x)LiMO₂ (M=Ni, Mn, Co) are of great interest as positive electrode materials for high energy density lithium-ion batteries. In-situ neutron diffraction was carried out to compare the structural changes between the classical layered compound Li[Ni_1/3Mn_1/3Co_1/3]O₂ (x=0) and lithium-excess layered compound Li[Li_0.2Ni_0.18Mn_0.53Co_0.1]O₂ (x=0.5) during electrochemical cycling. In this work, lab made pouch cells were built for the in-situ study and graphite was used as the anode material. Irreversible structural change of Li[Li_0.2Ni_0.18Mn_0.53Co_0.1]O₂ during first charge (4.7 V)/discharge cycle (2.0 V) was indicated by dynamic changes in lattice d-spacing, while the Li[Ni_1/3Mn_1/3Co_1/3]O₂ showed completely reversible structural evolution between 4.4 V and 2.5 V. Ex-situ neutron powder diffraction was performed on both pristine and chemically delithiated lithium-excess layered compounds to better understand the irreversible structure change.

Original language	English
Pages (from-to)	772-778
Number of pages	7
Journal	Journal of Power Sources
Volume	240
DOIs	https://doi.org/10.1016/j.jpowsour.2013.04.149
State	Published - 2013

Funding

The neutron experiments benefit from the SNS and HFIR user facilities sponsored by the office of Basic Energy Sciences (BES), the Office of Science of the U.S. Department of Energy (DOE). H. Liu acknowledges the financial support from China Scholarship Council under Award Number 2011631005. UCSD's efforts are supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. DOE under Contract No. DE-AC02-05CH11231, Subcontract No. 7056412 under the Batteries for Advanced Transportation Technologies (BATT) Program. L. Cai acknowledges the financial support from the Division of Materials Science, the office of BES, Office of Science of DOE .

Funders	Funder number
Division of Materials Science
U.S. Department of Energy
Office of Science
Office of Energy Efficiency and Renewable Energy
Basic Energy Sciences
Vehicle Technologies Office
China Scholarship Council	2011631005

Keywords

Graphite anode
In-situ neutron diffraction
Layered oxide cathode
Lithium-ion battery

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

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10.1016/j.jpowsour.2013.04.149

Cite this

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title = "In-situ neutron diffraction study of the xLi2MnO3·(1 - X)LiMO2 (x=0, 0.5; M=Ni, Mn, Co) layered oxide compounds during electrochemical cycling",

abstract = "The layered oxide compounds xLi2MnO3·(1 - x)LiMO2 (M=Ni, Mn, Co) are of great interest as positive electrode materials for high energy density lithium-ion batteries. In-situ neutron diffraction was carried out to compare the structural changes between the classical layered compound Li[Ni1/3Mn1/3Co1/3]O2 (x=0) and lithium-excess layered compound Li[Li0.2Ni0.18Mn0.53Co0.1]O2 (x=0.5) during electrochemical cycling. In this work, lab made pouch cells were built for the in-situ study and graphite was used as the anode material. Irreversible structural change of Li[Li0.2Ni0.18Mn0.53Co0.1]O2 during first charge (4.7 V)/discharge cycle (2.0 V) was indicated by dynamic changes in lattice d-spacing, while the Li[Ni1/3Mn1/3Co1/3]O2 showed completely reversible structural evolution between 4.4 V and 2.5 V. Ex-situ neutron powder diffraction was performed on both pristine and chemically delithiated lithium-excess layered compounds to better understand the irreversible structure change.",

keywords = "Graphite anode, In-situ neutron diffraction, Layered oxide cathode, Lithium-ion battery",

author = "Haodong Liu and Fell, {Christopher R.} and Ke An and Lu Cai and Meng, {Ying Shirley}",

year = "2013",

doi = "10.1016/j.jpowsour.2013.04.149",

language = "English",

volume = "240",

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journal = "Journal of Power Sources",

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T1 - In-situ neutron diffraction study of the xLi2MnO3·(1 - X)LiMO2 (x=0, 0.5; M=Ni, Mn, Co) layered oxide compounds during electrochemical cycling

AU - Liu, Haodong

AU - Fell, Christopher R.

AU - An, Ke

AU - Cai, Lu

AU - Meng, Ying Shirley

PY - 2013

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N2 - The layered oxide compounds xLi2MnO3·(1 - x)LiMO2 (M=Ni, Mn, Co) are of great interest as positive electrode materials for high energy density lithium-ion batteries. In-situ neutron diffraction was carried out to compare the structural changes between the classical layered compound Li[Ni1/3Mn1/3Co1/3]O2 (x=0) and lithium-excess layered compound Li[Li0.2Ni0.18Mn0.53Co0.1]O2 (x=0.5) during electrochemical cycling. In this work, lab made pouch cells were built for the in-situ study and graphite was used as the anode material. Irreversible structural change of Li[Li0.2Ni0.18Mn0.53Co0.1]O2 during first charge (4.7 V)/discharge cycle (2.0 V) was indicated by dynamic changes in lattice d-spacing, while the Li[Ni1/3Mn1/3Co1/3]O2 showed completely reversible structural evolution between 4.4 V and 2.5 V. Ex-situ neutron powder diffraction was performed on both pristine and chemically delithiated lithium-excess layered compounds to better understand the irreversible structure change.

AB - The layered oxide compounds xLi2MnO3·(1 - x)LiMO2 (M=Ni, Mn, Co) are of great interest as positive electrode materials for high energy density lithium-ion batteries. In-situ neutron diffraction was carried out to compare the structural changes between the classical layered compound Li[Ni1/3Mn1/3Co1/3]O2 (x=0) and lithium-excess layered compound Li[Li0.2Ni0.18Mn0.53Co0.1]O2 (x=0.5) during electrochemical cycling. In this work, lab made pouch cells were built for the in-situ study and graphite was used as the anode material. Irreversible structural change of Li[Li0.2Ni0.18Mn0.53Co0.1]O2 during first charge (4.7 V)/discharge cycle (2.0 V) was indicated by dynamic changes in lattice d-spacing, while the Li[Ni1/3Mn1/3Co1/3]O2 showed completely reversible structural evolution between 4.4 V and 2.5 V. Ex-situ neutron powder diffraction was performed on both pristine and chemically delithiated lithium-excess layered compounds to better understand the irreversible structure change.

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