Published in

MDPI, Condensed Matter, 2(6), p. 22, 2021

DOI: 10.3390/condmat6020022

Links

Tools

Export citation

Search in Google Scholar

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

Journal article published in 2021 by Fatemeh Keshavarz, Marius Kadek ORCID, Bernardo Barbiellini ORCID, Arun Bansil ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

Full text: Download

Green circle
Preprint: archiving allowed
Upload
Green circle
Postprint: archiving allowed
Upload
Green circle
Published version: archiving allowed
Upload
Policy details
Data provided by SHERPA/RoMEO

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.