Final published version, 1.29 MB, PDF document
Available under license: CC BY
Final published version
Licence: CC BY
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings
AU - Mercer, Michael
AU - Peng, Chao
AU - Soares, Cindy
AU - Hoster, Harry
AU - Kramer, Denis
PY - 2021/1/1
Y1 - 2021/1/1
N2 - Cell voltage is a fundamental quantity used to monitor and control Li-ion batteries. The open circuit 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 originate 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 °C 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.
AB - Cell voltage is a fundamental quantity used to monitor and control Li-ion batteries. The open circuit 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 originate 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 °C 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.
U2 - 10.1039/D0TA10403E
DO - 10.1039/D0TA10403E
M3 - Journal article
VL - 9
SP - 492
EP - 504
JO - Journal of Materials Chemistry A
JF - Journal of Materials Chemistry A
SN - 2050-7488
IS - 1
ER -