Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction

Xun Li Wang; Ke An; Lu Cai; Zhili Feng; Stephen E. Nagler; Claus Daniel; Kevin J. Rhodes; Alexandru D. Stoica; Harley D. Skorpenske; Chengdu Liang; Wei Zhang; Joon Kim; Yue Qi; Stephen J. Harris

doi:10.1038/srep00747

Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction

Xun Li Wang, Ke An, Lu Cai, Zhili Feng, Stephen E. Nagler, Claus Daniel, Kevin J. Rhodes, Alexandru D. Stoica, Harley D. Skorpenske, Chengdu Liang, Wei Zhang, Joon Kim, Yue Qi, Stephen J. Harris

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

137 Scopus citations

Abstract

We report an in-situ neutron diffraction study of a large format pouch battery cell. The succession of Li-Graphite intercalation phases was fully captured under an 1C charge-discharge condition (i.e., charge to full capacity in 1 hour). However, the lithiation and dilithiation pathways are distinctively different and, unlike in slowing charging experiments with which the Li-Graphite phase diagram was established, no LiC 24 phase was found during charge at 1C rate. Approximately 75 mol. % of the graphite converts to LiC ₆ at full charge, and a lattice dilation as large as 4% was observed during a charge-discharge cycle. Our work demonstrates the potential of in-situ, time and spatially resolved neutron diffraction study of the dynamic chemical and structural changes in real-world batteries under realistic cycling conditions, which should provide microscopic insights on degradation and the important role of diffusion kinetics in energy storage materials.

Original language	English
Article number	747
Journal	Scientific Reports
Volume	2
DOIs	https://doi.org/10.1038/srep00747
State	Published - 2012

Funding

This research was sponsored by the SEED Money Fund of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the US Department of Energy. The neutron diffraction work was carried out at the Spallation Neutron Source, which is sponsored by the US Department of Energy at ORNL. LC and CDL are supported by US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. The authors thank Drs. E. A. Payzant and B. R. Powell for critical reading of the manuscript.

Funders	Funder number
US Department of Energy
UT-Battelle
Basic Energy Sciences
Oak Ridge National Laboratory
Division of Materials Sciences and Engineering

UN SDGs

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

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10.1038/srep00747

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title = "Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction",

abstract = "We report an in-situ neutron diffraction study of a large format pouch battery cell. The succession of Li-Graphite intercalation phases was fully captured under an 1C charge-discharge condition (i.e., charge to full capacity in 1 hour). However, the lithiation and dilithiation pathways are distinctively different and, unlike in slowing charging experiments with which the Li-Graphite phase diagram was established, no LiC 24 phase was found during charge at 1C rate. Approximately 75 mol. % of the graphite converts to LiC 6 at full charge, and a lattice dilation as large as 4% was observed during a charge-discharge cycle. Our work demonstrates the potential of in-situ, time and spatially resolved neutron diffraction study of the dynamic chemical and structural changes in real-world batteries under realistic cycling conditions, which should provide microscopic insights on degradation and the important role of diffusion kinetics in energy storage materials.",

author = "Wang, {Xun Li} and Ke An and Lu Cai and Zhili Feng and Nagler, {Stephen E.} and Claus Daniel and Rhodes, {Kevin J.} and Stoica, {Alexandru D.} and Skorpenske, {Harley D.} and Chengdu Liang and Wei Zhang and Joon Kim and Yue Qi and Harris, {Stephen J.}",

year = "2012",

doi = "10.1038/srep00747",

language = "English",

volume = "2",

journal = "Scientific Reports",

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T1 - Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction

AU - Wang, Xun Li

AU - An, Ke

AU - Cai, Lu

AU - Feng, Zhili

AU - Nagler, Stephen E.

AU - Daniel, Claus

AU - Rhodes, Kevin J.

AU - Stoica, Alexandru D.

AU - Skorpenske, Harley D.

AU - Liang, Chengdu

AU - Zhang, Wei

AU - Kim, Joon

AU - Qi, Yue

AU - Harris, Stephen J.

PY - 2012

Y1 - 2012

N2 - We report an in-situ neutron diffraction study of a large format pouch battery cell. The succession of Li-Graphite intercalation phases was fully captured under an 1C charge-discharge condition (i.e., charge to full capacity in 1 hour). However, the lithiation and dilithiation pathways are distinctively different and, unlike in slowing charging experiments with which the Li-Graphite phase diagram was established, no LiC 24 phase was found during charge at 1C rate. Approximately 75 mol. % of the graphite converts to LiC 6 at full charge, and a lattice dilation as large as 4% was observed during a charge-discharge cycle. Our work demonstrates the potential of in-situ, time and spatially resolved neutron diffraction study of the dynamic chemical and structural changes in real-world batteries under realistic cycling conditions, which should provide microscopic insights on degradation and the important role of diffusion kinetics in energy storage materials.

AB - We report an in-situ neutron diffraction study of a large format pouch battery cell. The succession of Li-Graphite intercalation phases was fully captured under an 1C charge-discharge condition (i.e., charge to full capacity in 1 hour). However, the lithiation and dilithiation pathways are distinctively different and, unlike in slowing charging experiments with which the Li-Graphite phase diagram was established, no LiC 24 phase was found during charge at 1C rate. Approximately 75 mol. % of the graphite converts to LiC 6 at full charge, and a lattice dilation as large as 4% was observed during a charge-discharge cycle. Our work demonstrates the potential of in-situ, time and spatially resolved neutron diffraction study of the dynamic chemical and structural changes in real-world batteries under realistic cycling conditions, which should provide microscopic insights on degradation and the important role of diffusion kinetics in energy storage materials.

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SN - 2045-2322

VL - 2

JO - Scientific Reports

JF - Scientific Reports

M1 - 747

ER -

Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction

Abstract

Funding

UN SDGs

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