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Title: Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites

Abstract

Reversible intercalation reactions provide the basis for modern battery electrodes. Despite decades of exploration of electrode materials, the potential for materials in the nonoxide chemical space with regards to intercalation chemistry is vast and rather untested. Transition metal fluorides stand out as an obvious target. To this end, we report herein a new family of iron fluoride-based perovskite cathode materials A xK 1–xFeF 3 (A = Li, Na). By starting with KFeF 3, approximately 75% of K + ions were subsequently replaced by Li + and Na + through electrochemical means. X-ray diffraction and Fe X-ray absorption spectroscopy confirmed the existence of intercalation of alkali metal ions in the perovskite structure, which is associated with the Fe 2+/3+ redox couple. A computational study by density functional theory showed agreement with the structural and electrochemical data obtained experimentally, which suggested the possibility of fluoride-based materials as potential intercalation electrodes. This study increases our understanding of the intercalation chemistry of ternary fluorides, which could inform efforts toward the exploration of new electrode materials.

Authors:
; ; ; ; ORCiD logo; ; ; ; ; ORCiD logo
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1349924
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chemistry of Materials; Journal Volume: 29; Journal Issue: 4
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Yi, Tanghong, Chen, Wei, Cheng, Lei, Bayliss, Ryan D., Lin, Feng, Plews, Michael R., Nordlund, Dennis, Doeff, Marca M., Persson, Kristin A., and Cabana, Jordi. Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites. United States: N. p., 2017. Web. doi:10.1021/acs.chemmater.6b04181.
Yi, Tanghong, Chen, Wei, Cheng, Lei, Bayliss, Ryan D., Lin, Feng, Plews, Michael R., Nordlund, Dennis, Doeff, Marca M., Persson, Kristin A., & Cabana, Jordi. Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites. United States. doi:10.1021/acs.chemmater.6b04181.
Yi, Tanghong, Chen, Wei, Cheng, Lei, Bayliss, Ryan D., Lin, Feng, Plews, Michael R., Nordlund, Dennis, Doeff, Marca M., Persson, Kristin A., and Cabana, Jordi. Tue . "Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites". United States. doi:10.1021/acs.chemmater.6b04181.
@article{osti_1349924,
title = {Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites},
author = {Yi, Tanghong and Chen, Wei and Cheng, Lei and Bayliss, Ryan D. and Lin, Feng and Plews, Michael R. and Nordlund, Dennis and Doeff, Marca M. and Persson, Kristin A. and Cabana, Jordi},
abstractNote = {Reversible intercalation reactions provide the basis for modern battery electrodes. Despite decades of exploration of electrode materials, the potential for materials in the nonoxide chemical space with regards to intercalation chemistry is vast and rather untested. Transition metal fluorides stand out as an obvious target. To this end, we report herein a new family of iron fluoride-based perovskite cathode materials AxK1–xFeF3 (A = Li, Na). By starting with KFeF3, approximately 75% of K+ ions were subsequently replaced by Li+ and Na+ through electrochemical means. X-ray diffraction and Fe X-ray absorption spectroscopy confirmed the existence of intercalation of alkali metal ions in the perovskite structure, which is associated with the Fe2+/3+ redox couple. A computational study by density functional theory showed agreement with the structural and electrochemical data obtained experimentally, which suggested the possibility of fluoride-based materials as potential intercalation electrodes. This study increases our understanding of the intercalation chemistry of ternary fluorides, which could inform efforts toward the exploration of new electrode materials.},
doi = {10.1021/acs.chemmater.6b04181},
journal = {Chemistry of Materials},
number = 4,
volume = 29,
place = {United States},
year = {Tue Feb 07 00:00:00 EST 2017},
month = {Tue Feb 07 00:00:00 EST 2017}
}