MIL-101(Fe) as a lithium-ion battery electrode material: a relaxation and intercalation mechanism during lithium insertion

Shin, JaeWook; Kim, Min; Cirera, Jordi; Chen, Shawn; Halder, Gregory J.; Yersak, Thomas A.; Paesani, Francesco; Cohen, Seth M.; Meng, Ying Shirley

doi:10.1039/c4ta06694d

Title: MIL-101(Fe) as a lithium-ion battery electrode material: a relaxation and intercalation mechanism during lithium insertion

Journal Article · Thu Jan 15 00:00:00 EST 2015 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/c4ta06694d· OSTI ID:1781416

Shin, JaeWook ^[1]; Kim, Min ^[1]; Cirera, Jordi ^[1]; Chen, Shawn ^[1]; Halder, Gregory J. ^[2]; Yersak, Thomas A. ^[1]; Paesani, Francesco ^[1]; Cohen, Seth M. ^[1]; Meng, Ying Shirley ^[1]

Univ. of California, San Diego, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

The electrochemical performance of a MIL-101(Fe) metal–organic framework (MOF) as a lithium ion battery electrode is reported for the first time. Iron metal centers can be electrochemically activated. The Fe³⁺/Fe²⁺ redox couple is electrochemically active, but not reversible over many cycles. A comparison between ex situ and in operando X-ray absorption spectroscopy (XAS) on the Fe K-edge is presented. Our results indicate that the capacity fade is related to a time dependent, irreversible oxidation of Fe²⁺ to Fe³⁺. These results are key in proving the importance of in operando XAS measurements. The MOF side reaction with an electrolyte has been computationally modeled. These results provide further insights on the mechanism responsible for the MOF lack of reversibility. Future guidelines for improving the reversibility of MOFs used as electrodes in Li-ion batteries based on the fine-tuning of the electronic structure of the material are proposed.

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Research Organization:: Univ. of California, San Diego, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-08ER46519

OSTI ID:: 1781416

Journal Information:: Journal of Materials Chemistry. A, Vol. 3, Issue 8; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 135 works

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