Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe<sub>2</sub>SeO

Valldor, Martin; Wright, Taylor; Fitch, Andrew N.; Prots, Yurii

doi:10.1002/ange.201603920

Cited by 4 publications

(3 citation statements)

References 25 publications

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“…15 Recently, a novel antiperovskite (Fe 2 □)SeO with two different orderings of metal vacancies (□) was discovered. 16 By chemically substituting 1 Fe 2+ for 2 Li + , the cubic antiperovskites (Li 2 Fe)ChO (Ch = S, Se) were synthesized, and their preliminary performances as cathodes in batteries account for promising properties. 17 However, only macroscopic investigations and ex situ data have been reported so far.…”

Section: Introductionmentioning

confidence: 99%

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li₂Fe)SO

Mikhailova

Giebeler

Maletti

et al. 2018

ACS Appl. Energy Mater.

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Spectroscopic and X-ray diffraction operando techniques were used to investigate polycrystalline antiperovskite (Li 2 Fe)SO as cathode materials in a Li-battery setup. During Li removal, several intermediate, relatively stable phases exist. At low charging, Fe is oxidized from +2 to +3, but at higher charging, S 2− is also partly oxidized to elemental sulfur, suggesting a cathode bifunctionality, and both redox processes seem reversible. On cycling (Li 2 Fe)SO in a battery, spectroscopy data suggest that a part of the Fe atoms irreversibly vacate the high-symmetry positions in the crystal lattice, in line with the broadening of X-ray diffraction peaks. Instead, new, relatively broad reflections appear in the X-ray patterns that might be explained by a crystallographic superstructure, corresponding to a doubling of the cubic unit cell axis, but the peak broadness indicates a lowering in crystallographic symmetry. Using a standard electrolyte and a moderate charging rate of C/10 results in typical capacity loss per cycle, but by using an electrolyte with low sulfur solubility, the (Li 2 Fe)SO cathode is stabilized, and charge densities of more than 200 mAh g −1 at a 1C charging rate are obtained. Additionally, a Li-deficient precursor (Li 0.8 Fe)SO served as a cathode material in a Na battery, providing presumably reversible Na intercalation and removal.

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Section: Introductionmentioning

confidence: 99%

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li₂Fe)SO

Mikhailova

Giebeler

Maletti

et al. 2018

ACS Appl. Energy Mater.

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“…16 However, the key challenges are how to dope large amount of transition metals into the lattice and whether the structure remains stable during Li extraction and insertion. Inspired by a new type of cation vacancy ordered antiperovskite Fe 2 SeO, 52 in which one-third of the cation sites are vacant, Lai et al 29 53 found that Fe could also be substituted by other transition-metal elements such as Mn or Co. It indicated that the crystal structure of the antiperovskite cathode has extraordinary chemical flexibility, which offers many possibilities for the performance improvement.…”

Section: Transition Metal-based Antiperovskites As Electrodesmentioning

confidence: 99%

Anti‐perovskite materials for energy storage batteries

Deng

Chen

et al. 2021

InfoMat

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Anti-perovskites X 3 BA, as the electrically inverted derivatives of perovskites ABX 3 , have attracted tremendous attention for their good performances in multiple disciplines, especially in energy storage batteries. The Li/Na-rich antiperovskite (LiRAP/NaRAP) solid-state electrolytes (SSEs) typically show high ionic conductivities and high chemical/electrochemical stability toward the Li-metal anode, illustrating their great potential for applications in the Limetal batteries (LMBs) using nonaqueous liquid electrolyte or all-solid-state electrolyte. The antiperovskites have been studied as artificial solid electrolyte interphase for Li-metal anode protection, film SSEs for thin-film batteries, and low melting temperature solid electrolyte enabling melt-infiltration for the manufacture of all-solid-state lithium batteries. Transition metal-doped LiRAPs as cathodes have demonstrated a high discharge specific capacity and good rate capability in the Li-ion batteries (LIBs). Additionally, the underlying scientific principles in antiperovskites with flexible structural features have also been extensively studied. In this review, we comprehensively summarize the development, structural design, ionic conductivity and ion transportation mechanism, chemical/electrochemical stability, and applications of some antiperovskite materials in energy storage batteries. The perspective for enhancing the performance of the antiperovskites is also provided as a guide for future development and applications in energy storage. K E Y W O R D S antiperovskite, chemical and electrochemical stability, energy storage, solid-state electrolyte Zhi Deng and Dixing Ni contributed equally to this work.

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“…By chemical substitutions in the cation-vacancy-ordered anti-perovskite (Fe 2 □)SeO (□ = vacancy), 12 new lithium battery cathode materials (Li 2 Fe)ChO (Ch = S, Se) with cubic anti-perovskite structures were discovered. 13 These materials are cheap, can be easily produced, and withstand high charging rates, making them competitive for commercial use.…”

Section: Introductionmentioning

confidence: 99%

Extended Chemical Flexibility of Cubic Anti-Perovskite Lithium Battery Cathode Materials

et al. 2018

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Novel bichalcogenides with the general composition (Li2TM)ChO (TM = Mn, Co; Ch = S, Se) were synthesized by single-step solid-state reactions. These compounds possess cubic anti-perovskite crystal structure with Pm3̅m symmetry; TM and Li are disordered on the crystallographic site 3c. According to Goldschmidt tolerance factor calculations, the available space at the 3c site is too large for Li+ and TM2+ ions. As cathode materials, all title compounds perform less prominent in lithium-ion battery setups in comparison to the already known TM = Fe homologue; e.g., (Li2Co)SO has a charge density of about 70 mAh g–1 at a low charge rate. Nevertheless, the title compounds extend the chemical flexibility of the anti-perovskites, revealing their outstanding chemical optimization potential as lithium battery cathode material.

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Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO

Abstract: Supportinginformation and the ORCID identification numbers for the authors of this article can be found under http://dx.

Cited by 4 publications

References 25 publications

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li₂Fe)SO

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li₂Fe)SO

Anti‐perovskite materials for energy storage batteries

Extended Chemical Flexibility of Cubic Anti-Perovskite Lithium Battery Cathode Materials

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Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe2SeO

Abstract: Supportinginformation and the ORCID identification numbers for the authors of this article can be found under http://dx.

Cited by 4 publications

References 25 publications

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li2Fe)SO

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li2Fe)SO

Anti‐perovskite materials for energy storage batteries

Extended Chemical Flexibility of Cubic Anti-Perovskite Lithium Battery Cathode Materials

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Product

Resources

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Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li₂Fe)SO

Operando Studies of Antiperovskite Lithium Battery Cathode Material (Li₂Fe)SO