Insights into Structural Transformations in the Local Structure of Li 2 VO 2 F using operando X-ray Diffraction and Total Scattering: Amorphization and Recrystallization

Disordered rock salt Li VO F cathode material for lithium-ion batteries was investigated using X-ray diffraction and total scattering in order to gain insight in the structural changes of the short-range and long-range order during electrochemical cycling. The X-ray powder diffraction data shows the...

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Bibliographic Details
Published in:ACS applied materials & interfaces 2020-06, Vol.12 (24), p.27010-27016
Main Authors: Baur, Christian, Lăcătuşu, Monica-Elisabeta, Fichtner, Maximilian, Johnsen, Rune E
Format: Article
Language:English
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Summary:Disordered rock salt Li VO F cathode material for lithium-ion batteries was investigated using X-ray diffraction and total scattering in order to gain insight in the structural changes of the short-range and long-range order during electrochemical cycling. The X-ray powder diffraction data shows the well-known pattern of the disordered rock salt cubic structure, whereas pair distribution function (PDF) analysis reveals significant deviations from the ideal cubic structure. During battery operation, a reversible rock salt to amorphous phase transformation is observed, upon Li extraction and reinsertion. The X-ray total scattering data show strong indications of the formation of tetrahedrally coordinated V in the charged electrode material. The results show that disordered rock salt Li VO F material undergoes a hidden structural rearrangement during battery operation.
ISSN:1944-8244
1944-8252
DOI:10.1021/acsami.0c02391