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Title: A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe2O4 Anode Materials

Abstract

ABSTRACT ZnFe 2O 4(ZFO) represents a promising anode material for lithium ion batteries, but there is still a lack of deep understanding of the fundamental reduction mechanism associated with this material. In this paper, the complete visualization of reduction/oxidation products irrespective of their crystallinity was achieved experimentally through a compilation of in situ X-ray diffraction, synchrotron based powder diffraction, and ex-situ X-ray absorption fine structure data. Complementary theoretical modelling study further shed light upon the fundamental understanding of the lithiation mechanism, especially at the early stage from ZnFe 2O 4up to Li xZnFe 2O 4(x = 2).

Authors:
; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1499531
Report Number(s):
BNL-209535-2018-JACI
Journal ID: ISSN 2059-8521; applab
DOE Contract Number:  
SC0012704
Resource Type:
Journal Article
Journal Name:
MRS Advances
Additional Journal Information:
Journal Volume: 3; Journal Issue: 14; Journal ID: ISSN 2059-8521
Publisher:
Materials Research Society (MRS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Wang, Lei, McCarthy, Alison, Takeuchi, Kenneth J., Takeuchi, Esther S., and Marschilok, Amy C. A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe2O4 Anode Materials. United States: N. p., 2018. Web. doi:10.1557/adv.2018.305.
Wang, Lei, McCarthy, Alison, Takeuchi, Kenneth J., Takeuchi, Esther S., & Marschilok, Amy C. A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe2O4 Anode Materials. United States. doi:10.1557/adv.2018.305.
Wang, Lei, McCarthy, Alison, Takeuchi, Kenneth J., Takeuchi, Esther S., and Marschilok, Amy C. Mon . "A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe2O4 Anode Materials". United States. doi:10.1557/adv.2018.305.
@article{osti_1499531,
title = {A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe2O4 Anode Materials},
author = {Wang, Lei and McCarthy, Alison and Takeuchi, Kenneth J. and Takeuchi, Esther S. and Marschilok, Amy C.},
abstractNote = {ABSTRACT ZnFe2O4(ZFO) represents a promising anode material for lithium ion batteries, but there is still a lack of deep understanding of the fundamental reduction mechanism associated with this material. In this paper, the complete visualization of reduction/oxidation products irrespective of their crystallinity was achieved experimentally through a compilation of in situ X-ray diffraction, synchrotron based powder diffraction, and ex-situ X-ray absorption fine structure data. Complementary theoretical modelling study further shed light upon the fundamental understanding of the lithiation mechanism, especially at the early stage from ZnFe2O4up to LixZnFe2O4(x = 2).},
doi = {10.1557/adv.2018.305},
journal = {MRS Advances},
issn = {2059-8521},
number = 14,
volume = 3,
place = {United States},
year = {2018},
month = {1}
}