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In Situ, Time-Resolved Measurements of Lithium-Ion Battery Gases During Cell Formation Using Mid-IR Laser Absorption

Raghav G Poddar1, Joshua Stiborek1, Nathan J Kempema2

  • 1School of Mechanical Engineering, Purdue University, 585 Purdue Mall, West Lafayette, Indiana 47906, United States.

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|December 15, 2025
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Summary
This summary is machine-generated.

This study introduces laser absorption spectroscopy (LAS) for real-time, non-extractive measurement of gaseous byproducts during lithium-ion battery formation. The technique quantifies gases like ethylene and carbon monoxide, crucial for understanding battery chemistry.

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Area of Science:

  • Electrochemistry
  • Analytical Chemistry
  • Materials Science

Background:

  • Understanding lithium-ion battery formation chemistry requires real-time, non-extractive measurement of gaseous byproducts.
  • Conventional sensors like mass spectrometers have limitations for in situ analysis.

Purpose of the Study:

  • To design and apply a mid-infrared laser absorption spectroscopy (LAS) diagnostic for simultaneous in situ measurement of multiple gaseous byproducts during lithium-ion battery formation.
  • To provide quantitative, non-extractive, and calibration-free speciation measurements with high temporal resolution.

Main Methods:

  • Utilized scanned-wavelength direct-absorption spectroscopy with four distributed-feedback semiconductor lasers operating at specific mid-infrared wavelengths.
  • Performed measurements at 100 Hz on NMC622-Gr pouch batteries during formation cycle with ethylene carbonate/dimethyl carbonate electrolyte and lithium hexafluorophosphate.
  • Measured CO, CO2, CH4, C2H4, C2H6, and OCS.

Main Results:

  • Consistently measured 40%-60% by mole of total gas produced, with C2H4 and CO as major components.
  • Detected trace amounts (100-300 ppm) of carbonyl sulfide (OCS).
  • Detailed the evolution of gas mole fractions, moles, and production rates with respect to time and voltage.

Conclusions:

  • Laser absorption spectroscopy (LAS) is a powerful tool for in situ, non-extractive, and quantitative analysis of gaseous byproducts in lithium-ion batteries.
  • The study provides insights into gas production mechanisms and electrochemical events during battery formation.
  • Demonstrated the capability of LAS for high temporal resolution measurements essential for battery diagnostics.