Li2FeO2F
Li2FeO2F is a semiconducting lithium iron oxyfluoride that is considered a viable candidate for experimental synthesis in energy storage applications.
About Li2FeO2F
Li2FeO2F is a complex oxyfluoride compound characterized by its semiconducting electronic structure. Its composition, balancing lithium, iron, oxygen, and fluorine, positions it as a material of significant interest for researchers exploring new battery chemistries and ion-conducting frameworks.
Because it is identified as a near-hull phase, the compound is considered thermodynamically accessible for synthesis. This stability makes it a valuable subject for experimental investigation into how anionic substitution influences the electrochemical performance of iron-based materials.
Key Properties
Cross-validated computational properties for Li2FeO2F, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where Li2FeO2F is used.
Frequently Asked Questions
Common questions about Li2FeO2F, answered from cross-validated data.
What is Li2FeO2F?
Li2FeO2F is a semiconducting lithium iron oxyfluoride that is considered a viable candidate for experimental synthesis in energy storage applications.
What is Li2FeO2F used for?
What is the band gap of Li2FeO2F?
Is Li2FeO2F a metal, semiconductor, or insulator?
Is Li2FeO2F thermodynamically stable?
How many polymorphs of Li2FeO2F are known?
What elements does Li2FeO2F contain?
Where does the data for Li2FeO2F come from?
How It Compares
As a unique oxyfluoride, this compound serves as a distinct member of the broader family of lithium-iron-based energy materials. It occupies a specialized niche where the integration of fluorine into the lattice offers a pathway to tune electrochemical properties that are not typically accessible in pure oxide counterparts.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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