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Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries

Permanent link
https://hdl.handle.net/10037/24282
DOI
https://doi.org/10.3390/condmat6020022
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Date
2021-06-16
Type
Journal article
Tidsskriftartikkel
Peer reviewed

Author
Keshavarz, Fatemeh; Kadek, Marius; Barbiellini, Bernardo; Bansil, Arun
Abstract
We discuss the characteristic factors that determine the electrochemical potentials in a metal-organic framework used as cathode for Li-ion batteries via density functional theory-based simulations. Our focus is on MIL-101(Fe) cathode material. Our study gives insight into the role of local atomic environment and structural deformations in generating electrochemical potential.
Publisher
MDPI
Citation
Keshavarz, Kadek M, Barbiellini, Bansil. Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries. Condensed Matter. 2021;6
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