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

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

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 e...

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Bibliographic Details
Main Authors: Fatemeh Keshavarz, Marius Kadek, Bernardo Barbiellini, Arun Bansil
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Condensed Matter
Subjects:
li-ion battery
metal organic frameworks
cathode material first principles calculations
density functional theory
Online Access:https://www.mdpi.com/2410-3896/6/2/22

Internet

https://www.mdpi.com/2410-3896/6/2/22

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