Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles

Electronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2p states. The voltages of the redox reaction for LixMO2 were estimated f...

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書目詳細資料
發表在:Next Energy
Main Authors: Chunxia Gong, Hiroshi Sakurai, Yosuke Amada, Tomoya Ando, Manabu Takahashi
格式: Article
語言:英语
出版: Elsevier 2025-07-01
主題:
Compton profiles
High energy X-rays
Voltage imaging
REDOX reactions
在線閱讀:http://www.sciencedirect.com/science/article/pii/S2949821X25000122
實物特徵
總結:Electronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2p states. The voltages of the redox reaction for LixMO2 were estimated from the analysis of the calculated Compton profiles. The estimated voltages agreed with the previous report. This study shows that Compton profile measurement can be a new nondestructive testing tool for the measurement of the local voltage in a lithium-ion battery.
ISSN:2949-821X

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