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  Anti-Perovskite Li-Battery Cathode Materials

Lai, K. T., Antonyshyn, I., Prots, Y., & Valldor, M. (2017). Anti-Perovskite Li-Battery Cathode Materials. Journal of the American Chemical Society, 139(28), 9645-9649. doi:10.1021/jacs.7b04444.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-D009-B Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-D021-4
Genre: Journal Article

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 Creators:
Lai, Kwing To1, Author              
Antonyshyn, Iryna2, Author              
Prots, Yurii3, Author              
Valldor, Martin4, Author              
Affiliations:
1Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
2Iryna Antonyshyn, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863412              
3Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
4Martin Valldor, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863454              

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 Abstract: Through single-step solid-state reactions, a series of novel bichalcogenides with the general composition (Li2Fe)ChO (Ch = S, Se, Te) are successfully synthesized. (Li2Fe)ChO (Ch = S, Se) possess cubic anti-perovskite crystal structures, where Fe and Li are completely disordered on a common crystallographic site (3c). According to Goldschmidt calculations, Li+ and Fe2+ are too small for their common atomic position and exhibit large thermal displacements in the crystal structure models, implying high cation mobility. Both compounds (Li2Fe)ChO (Ch = S, Se) were tested as cathode materials against graphite anodes (single cells); They perform outstandingly at very high charge rates (270 mA g(-1), 80 cycles) and, at a charge rate of 30 mA g(-1), exhibit charge capacities of about 120 mA h g(-1). Compared to highly optimized Li1-xCoO2 cathode materials, these novel anti-perovskites are easily produced at cost reductions by up to 95% and, yet, possess a relative specific charge capacity of 75%. Moreover, these iron-based anti-perovskites are comparatively friendly to the environment and (Li2Fe)ChO (Ch = S, Se) melt congruently; the latter is advantageous for manufacturing pure materials in large amounts.

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Language(s): eng - English
 Dates: 2017-06-232017-06-23
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000406172900043
DOI: 10.1021/jacs.7b04444
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Title: Journal of the American Chemical Society
  Other : J. Am. Chem. Soc.
  Abbreviation : JACS
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 139 (28) Sequence Number: - Start / End Page: 9645 - 9649 Identifier: ISSN: 0002-7863
CoNE: /journals/resource/954925376870