In Situ, Atomic-Resolution Observation of Lithiation and Sodiation of WS2 Nanoflakes: Implications for Lithium-Ion and Sodium-Ion Batteries

Yaobin Xu; Ke Wang; Zhenpeng Yao; Joohoon Kang; David Lam; Dan Yang; Wei Ai; Chris Wolverton; Mark C. Hersam; Ying Huang; Wei Huang; Vinayak P. Dravid; Jinsong Wu

doi:10.1002/smll.202100637

In Situ, Atomic-Resolution Observation of Lithiation and Sodiation of WS₂ Nanoflakes: Implications for Lithium-Ion and Sodium-Ion Batteries

Yaobin Xu, Ke Wang, Zhenpeng Yao, Joohoon Kang, David Lam, Dan Yang, Wei Ai, Chris Wolverton, Mark C. Hersam, Ying Huang, Wei Huang, Vinayak P. Dravid^*, Jinsong Wu

^*Corresponding author for this work

Materials Science and Engineering

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

38 Scopus citations

Abstract

WS₂ nanoflakes have great potential as electrode materials of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) because of their unique 2D structure, which facilitates the reversible intercalation and extraction of alkali metal ions. However, a fundamental understanding of the electrochemical lithiation/sodiation dynamics of WS₂ nanoflakes especially at the nanoscale level, remains elusive. Here, by combining battery electrochemical measurements, density functional theory calculations, and in situ transmission electron microscopy, the electrochemical-reaction kinetics and mechanism for both lithiation and sodiation of WS₂ nanoflakes are investigated at the atomic scale. It is found that compared to LIBs, SIBs exhibit a higher reversible sodium (Na) storage capacity and superior cyclability. For sodiation, the volume change due to ion intercalation is smaller than that in lithiation. Also, sodiated WS₂ maintains its layered structure after the intercalation process, and the reduced metal nanoparticles after conversion in sodiation are well-dispersed and aligned forming a pattern similar to the layered structure. Overall, this work shows a direct interconnection between the reaction dynamics of lithiated/sodiated WS₂ nanoflakes and their electrochemical performance, which sheds light on the rational optimization and development of advanced WS₂-based electrodes.

Original language	English (US)
Article number	2100637
Journal	Small
Volume	17
Issue number	24
DOIs	https://doi.org/10.1002/smll.202100637
State	Published - Jun 17 2021

Funding

J.W. and V.P.D. were supported by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and the Initiative for Sustainability and Energy at Northwestern (ISEN). J.K., Z.Y., D.L., M.C.H., and C.W. were supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award No. DEAC02‐06CH11357. Z.Y. is also supported by the US Department of Energy, Office of Science – Chicago under Award Number DE‐SC0019300. Portions of this work were performed in the NU Center at Northwestern University, using the EPIC facility that receives support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI‐1542205); the MRSEC program (NSF DMR‐1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of the work was performed at the Nanostructure Research Centre (NRC), supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX). ANCE J.W. and V.P.D. were supported by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and the Initiative for Sustainability and Energy at Northwestern (ISEN). J.K., Z.Y., D.L., M.C.H., and C.W. were supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award No. DEAC02-06CH11357. Z.Y. is also supported by the US Department of Energy, Office of Science ? Chicago under Award Number DE-SC0019300. Portions of this work were performed in the NUANCE Center at Northwestern University, using the EPIC facility that receives support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of the work was performed at the Nanostructure Research Centre (NRC), supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX).

Keywords

2D transition metal dichalcogenides
density functional theory
electrochemical performance of lithium/sodium-ion batteries
in situ transmission electron microscopy
reaction mechanism of lithium/sodium-ion batteries

ASJC Scopus subject areas

Engineering (miscellaneous)
General Chemistry
General Materials Science
Biotechnology
Biomaterials

UN SDGs

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

Access to Document

10.1002/smll.202100637

Cite this

@article{30bde93dd71e40c1a116b3f151a476c7,

title = "In Situ, Atomic-Resolution Observation of Lithiation and Sodiation of WS2 Nanoflakes: Implications for Lithium-Ion and Sodium-Ion Batteries",

abstract = "WS2 nanoflakes have great potential as electrode materials of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) because of their unique 2D structure, which facilitates the reversible intercalation and extraction of alkali metal ions. However, a fundamental understanding of the electrochemical lithiation/sodiation dynamics of WS2 nanoflakes especially at the nanoscale level, remains elusive. Here, by combining battery electrochemical measurements, density functional theory calculations, and in situ transmission electron microscopy, the electrochemical-reaction kinetics and mechanism for both lithiation and sodiation of WS2 nanoflakes are investigated at the atomic scale. It is found that compared to LIBs, SIBs exhibit a higher reversible sodium (Na) storage capacity and superior cyclability. For sodiation, the volume change due to ion intercalation is smaller than that in lithiation. Also, sodiated WS2 maintains its layered structure after the intercalation process, and the reduced metal nanoparticles after conversion in sodiation are well-dispersed and aligned forming a pattern similar to the layered structure. Overall, this work shows a direct interconnection between the reaction dynamics of lithiated/sodiated WS2 nanoflakes and their electrochemical performance, which sheds light on the rational optimization and development of advanced WS2-based electrodes.",

keywords = "2D transition metal dichalcogenides, density functional theory, electrochemical performance of lithium/sodium-ion batteries, in situ transmission electron microscopy, reaction mechanism of lithium/sodium-ion batteries",

author = "Yaobin Xu and Ke Wang and Zhenpeng Yao and Joohoon Kang and David Lam and Dan Yang and Wei Ai and Chris Wolverton and Hersam, {Mark C.} and Ying Huang and Wei Huang and Dravid, {Vinayak P.} and Jinsong Wu",

note = "Funding Information: J.W. and V.P.D. were supported by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and the Initiative for Sustainability and Energy at Northwestern (ISEN). J.K., Z.Y., D.L., M.C.H., and C.W. were supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award No. DEAC02‐06CH11357. Z.Y. is also supported by the US Department of Energy, Office of Science – Chicago under Award Number DE‐SC0019300. Portions of this work were performed in the NU Center at Northwestern University, using the EPIC facility that receives support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI‐1542205); the MRSEC program (NSF DMR‐1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of the work was performed at the Nanostructure Research Centre (NRC), supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX). ANCE Funding Information: J.W. and V.P.D. were supported by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and the Initiative for Sustainability and Energy at Northwestern (ISEN). J.K., Z.Y., D.L., M.C.H., and C.W. were supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award No. DEAC02-06CH11357. Z.Y. is also supported by the US Department of Energy, Office of Science ? Chicago under Award Number DE-SC0019300. Portions of this work were performed in the NUANCE Center at Northwestern University, using the EPIC facility that receives support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of the work was performed at the Nanostructure Research Centre (NRC), supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX). Publisher Copyright: {\textcopyright} 2021 Wiley-VCH GmbH",

year = "2021",

month = jun,

day = "17",

doi = "10.1002/smll.202100637",

language = "English (US)",

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T1 - In Situ, Atomic-Resolution Observation of Lithiation and Sodiation of WS2 Nanoflakes

T2 - Implications for Lithium-Ion and Sodium-Ion Batteries

AU - Xu, Yaobin

AU - Wang, Ke

AU - Yao, Zhenpeng

AU - Kang, Joohoon

AU - Lam, David

AU - Yang, Dan

AU - Ai, Wei

AU - Wolverton, Chris

AU - Hersam, Mark C.

AU - Huang, Ying

AU - Huang, Wei

AU - Dravid, Vinayak P.

AU - Wu, Jinsong

N1 - Funding Information: J.W. and V.P.D. were supported by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and the Initiative for Sustainability and Energy at Northwestern (ISEN). J.K., Z.Y., D.L., M.C.H., and C.W. were supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award No. DEAC02‐06CH11357. Z.Y. is also supported by the US Department of Energy, Office of Science – Chicago under Award Number DE‐SC0019300. Portions of this work were performed in the NU Center at Northwestern University, using the EPIC facility that receives support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI‐1542205); the MRSEC program (NSF DMR‐1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of the work was performed at the Nanostructure Research Centre (NRC), supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX). ANCE Funding Information: J.W. and V.P.D. were supported by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and the Initiative for Sustainability and Energy at Northwestern (ISEN). J.K., Z.Y., D.L., M.C.H., and C.W. were supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award No. DEAC02-06CH11357. Z.Y. is also supported by the US Department of Energy, Office of Science ? Chicago under Award Number DE-SC0019300. Portions of this work were performed in the NUANCE Center at Northwestern University, using the EPIC facility that receives support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of the work was performed at the Nanostructure Research Centre (NRC), supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX). Publisher Copyright: © 2021 Wiley-VCH GmbH

PY - 2021/6/17

Y1 - 2021/6/17

N2 - WS2 nanoflakes have great potential as electrode materials of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) because of their unique 2D structure, which facilitates the reversible intercalation and extraction of alkali metal ions. However, a fundamental understanding of the electrochemical lithiation/sodiation dynamics of WS2 nanoflakes especially at the nanoscale level, remains elusive. Here, by combining battery electrochemical measurements, density functional theory calculations, and in situ transmission electron microscopy, the electrochemical-reaction kinetics and mechanism for both lithiation and sodiation of WS2 nanoflakes are investigated at the atomic scale. It is found that compared to LIBs, SIBs exhibit a higher reversible sodium (Na) storage capacity and superior cyclability. For sodiation, the volume change due to ion intercalation is smaller than that in lithiation. Also, sodiated WS2 maintains its layered structure after the intercalation process, and the reduced metal nanoparticles after conversion in sodiation are well-dispersed and aligned forming a pattern similar to the layered structure. Overall, this work shows a direct interconnection between the reaction dynamics of lithiated/sodiated WS2 nanoflakes and their electrochemical performance, which sheds light on the rational optimization and development of advanced WS2-based electrodes.

AB - WS2 nanoflakes have great potential as electrode materials of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) because of their unique 2D structure, which facilitates the reversible intercalation and extraction of alkali metal ions. However, a fundamental understanding of the electrochemical lithiation/sodiation dynamics of WS2 nanoflakes especially at the nanoscale level, remains elusive. Here, by combining battery electrochemical measurements, density functional theory calculations, and in situ transmission electron microscopy, the electrochemical-reaction kinetics and mechanism for both lithiation and sodiation of WS2 nanoflakes are investigated at the atomic scale. It is found that compared to LIBs, SIBs exhibit a higher reversible sodium (Na) storage capacity and superior cyclability. For sodiation, the volume change due to ion intercalation is smaller than that in lithiation. Also, sodiated WS2 maintains its layered structure after the intercalation process, and the reduced metal nanoparticles after conversion in sodiation are well-dispersed and aligned forming a pattern similar to the layered structure. Overall, this work shows a direct interconnection between the reaction dynamics of lithiated/sodiated WS2 nanoflakes and their electrochemical performance, which sheds light on the rational optimization and development of advanced WS2-based electrodes.

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KW - density functional theory

KW - electrochemical performance of lithium/sodium-ion batteries

KW - in situ transmission electron microscopy

KW - reaction mechanism of lithium/sodium-ion batteries

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