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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Bibliographic Details

Published in:	Next Energy
Main Authors:	Chunxia Gong, Hiroshi Sakurai, Yosuke Amada, Tomoya Ando, Manabu Takahashi
Format:	Article
Language:	English
Published:	Elsevier 2025-07-01
Subjects:	Compton profiles High energy X-rays Voltage imaging REDOX reactions
Online Access:	http://www.sciencedirect.com/science/article/pii/S2949821X25000122