Extracting the redox orbitals in Li battery materials with high-resolution x-ray compton scattering spectroscopy.
Phys Rev Lett
; 114(8): 087401, 2015 Feb 27.
Article
em En
| MEDLINE
| ID: mdl-25768779
ABSTRACT
We present an incisive spectroscopic technique for directly probing redox orbitals based on bulk electron momentum density measurements via high-resolution x-ray Compton scattering. Application of our method to spinel Li_{x}Mn_{2}O_{4}, a lithium ion battery cathode material, is discussed. The orbital involved in the lithium insertion and extraction process is shown to mainly be the oxygen 2p orbital. Moreover, the manganese 3d states are shown to experience spatial delocalization involving 0.16±0.05 electrons per Mn site during the battery operation. Our analysis provides a clear understanding of the fundamental redox process involved in the working of a lithium ion battery.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Ano de publicação:
2015
Tipo de documento:
Article
País de afiliação:
Japão