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

dc.contributor.author	Keshavarz, Fatemeh
dc.contributor.author	Kadek, Marius
dc.contributor.author	Barbiellini, Bernardo
dc.contributor.author	Bansil, Arun
dc.date.accessioned	2022-03-07T08:26:44Z
dc.date.available	2022-03-07T08:26:44Z
dc.date.issued	2021-06-16
dc.description.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.	en_US
dc.identifier.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	en_US
dc.identifier.cristinID	FRIDAID 1932586
dc.identifier.doi	10.3390/condmat6020022
dc.identifier.issn	2410-3896
dc.identifier.uri	https://hdl.handle.net/10037/24282
dc.language.iso	eng	en_US
dc.publisher	MDPI	en_US
dc.relation.journal	Condensed Matter
dc.relation.uri	https://doi.org/10.3390/condmat6020022
dc.rights.accessRights	openAccess	en_US
dc.rights.holder	Copyright 2021 The Author(s)	en_US
dc.title	Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries	en_US
dc.type.version	publishedVersion	en_US
dc.type	Journal article	en_US
dc.type	Tidsskriftartikkel	en_US
dc.type	Peer reviewed	en_US