Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries
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https://hdl.handle.net/10037/24282Date
2021-06-16Type
Journal articleTidsskriftartikkel
Peer reviewed
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
MDPICitation
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;6Metadata
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