Polymorphic Purity and Structural Charge–Discharge Evolution of β-LiVOPO4 Cathodes

Christian Lund Jakobsen; Kasper Skovgaard Nielsen; Per Morgen; Espen Drath Bøjesen; Dorthe Bomholdt Ravnsbæk

doi:10.1021/acs.jpcc.1c05494

Polymorphic Purity and Structural Charge–Discharge Evolution of β-LiVOPO₄ Cathodes

Christian Lund Jakobsen, Kasper Skovgaard Nielsen, Per Morgen, Espen Drath Bøjesen^*, Dorthe Bomholdt Ravnsbæk^*

^*Corresponding author for this work

Interdisciplinary Nanoscience Center

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

Abstract

Lithium vanadyl phosphate, LiVOPO4, holds interest as a Li-ion battery electrode due to the multiple active redox states of vanadium (V5+ ⇋ V4+ ⇋ V3+) and the high redox potential induced by vanadyl phosphate. The orthorhombic β-LiVOPO4 polymorph is of special interest owing to its low Li-ion diffusion barrier and high stability. In this work, we synthesize β-LiVOPO4 and investigate the polymorphic purity under different synthesis conditions and show that high-energy ball milling without postsintering can alter the sample morphology and thereby dramatically increase the electrochemical performance of β-LiVOPO4. Through operando powder X-ray diffraction (PXRD), the structural evolution of β-LiVOPO4 during charge and discharge is unraveled and unexpected solid solution behavior in the Li-poor β-VOPO4 is revealed.

Original language	English
Journal	The Journal of Physical Chemistry Part C
Volume	125
Issue	44
Pages (from-to)	24301-24309
Number of pages	9
ISSN	1932-7447
DOIs	https://doi.org/10.1021/acs.jpcc.1c05494
Publication status	Published - 11 Nov 2021

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10.1021/acs.jpcc.1c05494

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title = "Polymorphic Purity and Structural Charge–Discharge Evolution of β-LiVOPO4 Cathodes",

abstract = "Lithium vanadyl phosphate, LiVOPO4, holds interest as a Li-ion battery electrode due to the multiple active redox states of vanadium (V5+ ⇋ V4+ ⇋ V3+) and the high redox potential induced by vanadyl phosphate. The orthorhombic β-LiVOPO4 polymorph is of special interest owing to its low Li-ion diffusion barrier and high stability. In this work, we synthesize β-LiVOPO4 and investigate the polymorphic purity under different synthesis conditions and show that high-energy ball milling without postsintering can alter the sample morphology and thereby dramatically increase the electrochemical performance of β-LiVOPO4. Through operando powder X-ray diffraction (PXRD), the structural evolution of β-LiVOPO4 during charge and discharge is unraveled and unexpected solid solution behavior in the Li-poor β-VOPO4 is revealed.",

author = "Jakobsen, {Christian Lund} and {Skovgaard Nielsen}, Kasper and Per Morgen and B{\o}jesen, {Espen Drath} and {Bomholdt Ravnsb{\ae}k}, Dorthe",

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year = "2021",

month = nov,

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doi = "10.1021/acs.jpcc.1c05494",

language = "English",

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Polymorphic Purity and Structural Charge–Discharge Evolution of β-LiVOPO₄ Cathodes. / Jakobsen, Christian Lund; Skovgaard Nielsen, Kasper; Morgen, Per et al.
In: The Journal of Physical Chemistry Part C, Vol. 125, No. 44, 11.11.2021, p. 24301-24309.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - Polymorphic Purity and Structural Charge–Discharge Evolution of β-LiVOPO4 Cathodes

AU - Jakobsen, Christian Lund

AU - Skovgaard Nielsen, Kasper

AU - Morgen, Per

AU - Bøjesen, Espen Drath

AU - Bomholdt Ravnsbæk, Dorthe

PY - 2021/11/11

Y1 - 2021/11/11

N2 - Lithium vanadyl phosphate, LiVOPO4, holds interest as a Li-ion battery electrode due to the multiple active redox states of vanadium (V5+ ⇋ V4+ ⇋ V3+) and the high redox potential induced by vanadyl phosphate. The orthorhombic β-LiVOPO4 polymorph is of special interest owing to its low Li-ion diffusion barrier and high stability. In this work, we synthesize β-LiVOPO4 and investigate the polymorphic purity under different synthesis conditions and show that high-energy ball milling without postsintering can alter the sample morphology and thereby dramatically increase the electrochemical performance of β-LiVOPO4. Through operando powder X-ray diffraction (PXRD), the structural evolution of β-LiVOPO4 during charge and discharge is unraveled and unexpected solid solution behavior in the Li-poor β-VOPO4 is revealed.

AB - Lithium vanadyl phosphate, LiVOPO4, holds interest as a Li-ion battery electrode due to the multiple active redox states of vanadium (V5+ ⇋ V4+ ⇋ V3+) and the high redox potential induced by vanadyl phosphate. The orthorhombic β-LiVOPO4 polymorph is of special interest owing to its low Li-ion diffusion barrier and high stability. In this work, we synthesize β-LiVOPO4 and investigate the polymorphic purity under different synthesis conditions and show that high-energy ball milling without postsintering can alter the sample morphology and thereby dramatically increase the electrochemical performance of β-LiVOPO4. Through operando powder X-ray diffraction (PXRD), the structural evolution of β-LiVOPO4 during charge and discharge is unraveled and unexpected solid solution behavior in the Li-poor β-VOPO4 is revealed.

U2 - 10.1021/acs.jpcc.1c05494

DO - 10.1021/acs.jpcc.1c05494

M3 - Journal article

SN - 1932-7447

VL - 125

SP - 24301

EP - 24309

JO - The Journal of Physical Chemistry Part C

JF - The Journal of Physical Chemistry Part C

IS - 44

ER -

Polymorphic Purity and Structural Charge–Discharge Evolution of β-LiVOPO4 Cathodes

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Polymorphic Purity and Structural Charge–Discharge Evolution of β-LiVOPO₄ Cathodes