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Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings

Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings
Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings
Cell voltage is a fundamental quantity used to monitor and control Li-ion batteries. The open cir- cuit voltage (OCV) is of particular interest as it is believed to be a thermodynamic quantity, free of kinetic effects and history and, therefore, “simple” to interpret. Here we show that the OCV characteristics of graphite show hysteresis between charge and discharge that do not solely orig- inate from Li dynamics and that the OCV is in fact history dependent. Combining First-Principles calculations with temperature-controlled electrochemical measurements, we identify a residual hysteresis that persists even at elevated temperatures of greater than 50 degC due to differences in the phase succession between charge and discharge. Experimental entropy profiling, as well as energies and volume changes determined from First-Principles calculations, suggest that the residual hysteresis is associated with different host lattice stackings of carbon and is related to Li disorder across planes in stage II configurations.
2050-7488
Mercer, Michael
d1f983bf-4e74-4a80-b670-372ac0d8a1d7
Peng, Chao
20f4467b-1786-4e11-97f2-2ab5885bcd7a
Soares, Cindy
79d63f9c-209c-47f9-b356-1cca57539faa
Hoster, Harry
f4edfa35-d450-4855-b76e-738903d355d6
Kramer, Denis
1faae37a-fab7-4edd-99ee-ae4c30d3cde4
Mercer, Michael
d1f983bf-4e74-4a80-b670-372ac0d8a1d7
Peng, Chao
20f4467b-1786-4e11-97f2-2ab5885bcd7a
Soares, Cindy
79d63f9c-209c-47f9-b356-1cca57539faa
Hoster, Harry
f4edfa35-d450-4855-b76e-738903d355d6
Kramer, Denis
1faae37a-fab7-4edd-99ee-ae4c30d3cde4

Mercer, Michael, Peng, Chao, Soares, Cindy, Hoster, Harry and Kramer, Denis (2020) Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings. Journal of Materials Chemistry A. (doi:10.1039/D0TA10403E).

Record type: Article

Abstract

Cell voltage is a fundamental quantity used to monitor and control Li-ion batteries. The open cir- cuit voltage (OCV) is of particular interest as it is believed to be a thermodynamic quantity, free of kinetic effects and history and, therefore, “simple” to interpret. Here we show that the OCV characteristics of graphite show hysteresis between charge and discharge that do not solely orig- inate from Li dynamics and that the OCV is in fact history dependent. Combining First-Principles calculations with temperature-controlled electrochemical measurements, we identify a residual hysteresis that persists even at elevated temperatures of greater than 50 degC due to differences in the phase succession between charge and discharge. Experimental entropy profiling, as well as energies and volume changes determined from First-Principles calculations, suggest that the residual hysteresis is associated with different host lattice stackings of carbon and is related to Li disorder across planes in stage II configurations.

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Accepted/In Press date: 25 November 2020
Published date: 27 November 2020

Identifiers

Local EPrints ID: 445387
URI: http://eprints.soton.ac.uk/id/eprint/445387
ISSN: 2050-7488
PURE UUID: 20b7df96-1677-4961-aec4-8a108ec76246

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Date deposited: 07 Dec 2020 17:31
Last modified: 21 Nov 2021 21:10

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Contributors

Author: Michael Mercer
Author: Chao Peng
Author: Cindy Soares
Author: Harry Hoster
Author: Denis Kramer

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