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Data · dataset · 2026

High-Temperature Chemical Oxidation Pathways in Lithium-ion Batteries: Mechanistic insights into Ethylene Carbonate Decomposition

Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.35097/dwd5j2arf73vkkq8

Thermal events remain a safety challenge for lithium-ion batteries due to self-reinforcing exothermic reactions that occur at elevated temperatures.

Description

Higher states of charge have been shown to exacerbate the onset and severity of these events. This has been attributed to the release of lattice oxygen in cells containing Ni-rich layered oxide electrodes.

The degradation reactions on the electrode/electrolyte interface triggered by this oxygen remain insufficiently understood. In this study, we investigate high-temperature degradation pathways of ethylene carbonate (EC)-based electrolytes in contact with Ni-rich positive electrode active materials up to 130 ◦C. By combining in-situ high-temperature online electrochemical mass spectrometry with post-mortem analyses, we identify and validate key degradation intermediates and products.

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Two distinct EC oxidation pathways are revealed: one activated at high voltages, and one initiated by trace water impurities. Theoretical calculations reveal the reactions are thermodynamically favorable and quantify their heat release. Both pathways produce significant heat and lead to gassing of CO$_2$ and H$_2$.

These findings suggest a significant contribution of EC to thermal gas evolution and exothermicity under abuse conditions, thereby establishing a mechanistic link between electrolyte chemistry and thermal events. This integrated experimental-computational approach provides critical insights to guide improved electrolyte formulations and predictive thermal models.

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Catalogue records · 1

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Inferred from text
Chemical engineering 73% · Mass spectrometry 75%
Provenance · 2 source records, 13 field assertions
SourceKeyLast seenRaw
RADAR10.35097/dwd5j2arf73vkkq813 d agoJSON v1
RADAR4Memory10.35097/dwd5j2arf73vkkq813 d agoJSON v1
FieldAssertionExtractorEvidence
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