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...
Main Authors: | Fatemeh Keshavarz, Marius Kadek, Bernardo Barbiellini, Arun Bansil |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-06-01
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Series: | Condensed Matter |
Subjects: | |
Online Access: | https://www.mdpi.com/2410-3896/6/2/22 |
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