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

Journal Article · · Chemistry of Materials
 [1];  [2];  [3];  [4]; ORCiD logo [5];  [4];  [6];  [5];  [5]; ORCiD logo [4]
  1. 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
  2. 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
  3. 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
  4. Univ. of Illinois, Chicago, IL (United States). Dept. of Chemistry
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Storage and Distributed Resources Division
  6. SLAC National Accelerator Lab., Menlo Park, CA (United States)
+ Show Author Affiliations

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.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231; AC02-76SF00515; AC02-06CH11357
OSTI ID:
1353190
Alternate ID(s):
OSTI ID: 1459386
Journal Information:
Chemistry of Materials, Vol. 29, Issue 4; ISSN 0897-4756
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 37 works
Citation information provided by
Web of Science

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Cited By (9)

δ‐MnO 2 /KMnF 3 Composite with Mixed Valence as Cathode for Potassium Ion Battery journal November 2019
New tolerance factor to predict the stability of perovskite oxides and halides journal February 2019
Laboratory based synthesis of the pure form of gananite (BiF 3 ) nanoparticles: a potential material for electrochemical supercapacitor application journal January 2019
Empowering multicomponent cathode materials for sodium ion batteries by exploring three-dimensional compositional heterogeneities journal January 2018
SmFeO 3 and Bi-doped SmFeO 3 perovskites as an alternative class of electrodes in lithium-ion batteries journal January 2018
Perovskites with d-block metals for solar energy applications journal January 2019
Vacancy defective perovskite Na 0.85 Ni 0.45 Co 0.55 F 3.56 nanocrystal anodes for advanced lithium-ion storage driven by surface conversion and insertion hybrid mechanisms journal January 2019
Perovskite KNi 0.1 Co 0.9 F 3 as a pseudocapacitive conversion anode for high-performance nonaqueous Li-ion capacitors and dual-ion batteries journal January 2019
New Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides text January 2018

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