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 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.
- Authors:
-
[5];
[4]
- Univ. of Illinois, Chicago, IL (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Storage and Distributed Resources Division
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Storage and Distributed Resources Division; Illinois Inst. of Technology, Chicago, IL (United States). Dept. of Mechanical Materials and Aerospace Engineering
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Storage and Distributed Resources Division; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
- Univ. of Illinois, Chicago, IL (United States). Dept. of Chemistry
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Storage and Distributed Resources Division
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Science (SC)
- OSTI Identifier:
- 1353190
- Alternate Identifier(s):
- OSTI ID: 1459386
- Grant/Contract Number:
- AC02-05CH11231; AC02-76SF00515; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 29; Journal Issue: 4; Journal ID: ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)
- 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. https://doi.org/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. Fri .
"Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites". United States. https://doi.org/10.1021/acs.chemmater.6b04181. https://www.osti.gov/servlets/purl/1353190.
@article{osti_1353190,
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 = {Fri Jan 20 00:00:00 EST 2017},
month = {Fri Jan 20 00:00:00 EST 2017}
}
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