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Title: Reaction Mechanism of the Sn 2 Fe Anode in Lithium-Ion Batteries

Abstract

Sn2Fe anode materials were synthesized by a solvothermal route, and their electrochemical performance and reaction mechanism were evaluated. The structural evolution in the first two lithium cycles was investigated by X-ray absorption spectroscopy (XAS), synchrotron X-ray diffraction (XRD), and magnetic studies. In the first cycle, progressive alloying of Sn with Li accompanied by metallic iron displacement occurs upon lithiation, and the delithiation proceeds by LixSn dealloying and recovery of the Sn2Fe phase. In the second cycle, both XRD and XAS identify Li–Sn alloying at earlier lithiation stages than in the first cycle, with low-Li-content alloys evident in the beginning of the lithiation process. In the fully lithiated state, XAS analysis reveals higher coordination numbers in both the LixSn and Fe phases, which points toward more complete reaction and higher crystallinity of the products. Upon second delithiation, the Sn2Fe phase is generally reformed as evidenced by XRD. However, XAS indicates somewhat reduced Sn–Fe coordination and shorter Fe–Fe distance, which indicates incomplete reconversion and metallic Fe retention, which is also evident in the magnetic studies. Thus, a combination of long-range (XRD, magnetic) and local (XAS) techniques has revealed differences between the first and the second Li cycles relevant to the understanding ofmore » the capacity fading mechanisms.« less

Authors:
; ; ; ORCiD logo; ; ; ORCiD logo
Publication Date:
Research Org.:
Binghamton Univ., Binghamton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1579787
Alternate Identifier(s):
OSTI ID: 1580692
Grant/Contract Number:  
AC02-06CH11357; AC02-98CH10886; EE0006852
Resource Type:
Published Article
Journal Name:
ACS Omega
Additional Journal Information:
Journal Name: ACS Omega Journal Volume: 4 Journal Issue: 27; Journal ID: ISSN 2470-1343
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Dong, Zhixin, Wang, Qi, Zhang, Ruibo, Chernova, Natasha A., Omenya, Fredrick, Ji, Dongsheng, and Whittingham, M. Stanley. Reaction Mechanism of the Sn 2 Fe Anode in Lithium-Ion Batteries. United States: N. p., 2019. Web. https://doi.org/10.1021/acsomega.9b02417.
Dong, Zhixin, Wang, Qi, Zhang, Ruibo, Chernova, Natasha A., Omenya, Fredrick, Ji, Dongsheng, & Whittingham, M. Stanley. Reaction Mechanism of the Sn 2 Fe Anode in Lithium-Ion Batteries. United States. https://doi.org/10.1021/acsomega.9b02417
Dong, Zhixin, Wang, Qi, Zhang, Ruibo, Chernova, Natasha A., Omenya, Fredrick, Ji, Dongsheng, and Whittingham, M. Stanley. Wed . "Reaction Mechanism of the Sn 2 Fe Anode in Lithium-Ion Batteries". United States. https://doi.org/10.1021/acsomega.9b02417.
@article{osti_1579787,
title = {Reaction Mechanism of the Sn 2 Fe Anode in Lithium-Ion Batteries},
author = {Dong, Zhixin and Wang, Qi and Zhang, Ruibo and Chernova, Natasha A. and Omenya, Fredrick and Ji, Dongsheng and Whittingham, M. Stanley},
abstractNote = {Sn2Fe anode materials were synthesized by a solvothermal route, and their electrochemical performance and reaction mechanism were evaluated. The structural evolution in the first two lithium cycles was investigated by X-ray absorption spectroscopy (XAS), synchrotron X-ray diffraction (XRD), and magnetic studies. In the first cycle, progressive alloying of Sn with Li accompanied by metallic iron displacement occurs upon lithiation, and the delithiation proceeds by LixSn dealloying and recovery of the Sn2Fe phase. In the second cycle, both XRD and XAS identify Li–Sn alloying at earlier lithiation stages than in the first cycle, with low-Li-content alloys evident in the beginning of the lithiation process. In the fully lithiated state, XAS analysis reveals higher coordination numbers in both the LixSn and Fe phases, which points toward more complete reaction and higher crystallinity of the products. Upon second delithiation, the Sn2Fe phase is generally reformed as evidenced by XRD. However, XAS indicates somewhat reduced Sn–Fe coordination and shorter Fe–Fe distance, which indicates incomplete reconversion and metallic Fe retention, which is also evident in the magnetic studies. Thus, a combination of long-range (XRD, magnetic) and local (XAS) techniques has revealed differences between the first and the second Li cycles relevant to the understanding of the capacity fading mechanisms.},
doi = {10.1021/acsomega.9b02417},
journal = {ACS Omega},
number = 27,
volume = 4,
place = {United States},
year = {2019},
month = {12}
}

Journal Article:
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https://doi.org/10.1021/acsomega.9b02417

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