Correlating Structural Changes and Gas Evolution during the Thermal Decomposition of Charged LixNi0.8Co0.15Al0.05O2 Cathode Materials
- Correlating Structural Changes and Gas Evolution during the Thermal Decomposition of Charged LixNi0.8Co0.15Al0.05O2 Cathode Materials
- 박성민; 남경완; 장원영; Xiqian Yu; Enyuan Hu; 황수연; Eric A. Stach; 김광범; 정경윤; Xiao-Qing Yang
- energy storage; safety; abuse tolerance; X-ray absorption spectroscopy; transmission electron microscopy
- Issue Date
- Chemistry of materials
- VOL 25, NO 3, 337-351
- In this work, we present results from the
application of a new in situ technique that combines timeresolved
synchrotron X-ray diffraction and mass spectroscopy.
We exploit this approach to provide direct correlation between
structural changes and the evolution of gas that occurs during
the thermal decomposition of (over)charged cathode materials
used in lithium-ion batteries. Results from charged
LixNi0.8Co0.15Al0.05O2 cathode materials indicate that the
evolution of both O2 and CO2 gases are strongly related to
phase transitions that occur during thermal decomposition,
specifically from the layered structure (space group R3̅m) to
the disordered spinel structure (Fd3̅m), and finally to the rocksalt
structure (Fm3̅m). The state of charge also significantly
affects both the structural changes and the evolution of oxygen as the temperature increases: the more extensive the charge, the
lower the temperature of the phase transitions and the larger the oxygen release. Ex situ X-ray absorption spectroscopy (XAS)
and in situ transmission electron microscopy (TEM) are also utilized to investigate the local structural and valence state changes
in Ni and Co ions, and to characterize microscopic morphology changes. The combination of these advanced tools provides a
unique approach to study fundamental aspects of the dynamic physical and chemical changes that occur during thermal
decomposition of charged cathode materials in a systematic way.
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