Li2CoO2F

Li2CoO2F is a semiconducting oxyfluoride material being researched for its potential as a high-performance cathode component in lithium-ion batteries.

Crystal structure of Li2CoO2F
Ground-state structure · Materials Project
Overview

About Li2CoO2F

Li2CoO2F belongs to the class of layered lithium transition-metal oxides, distinguished by the incorporation of fluorine into the anionic framework. This semiconducting material is characterized by its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis and structural investigation.

As a member of the oxyfluoride family, this compound is of significant interest for next-generation energy storage applications. Its structural configuration allows for unique lithium-ion transport pathways, making it a subject of ongoing research into high-capacity cathode materials for rechargeable batteries.

At a glance

Key Properties

Cross-validated computational properties for Li2CoO2F, aggregated across 3 databases.

Band Gap

0.68 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li2CoO2F is used.

Rechargeable battery cathodesEnergy storage researchSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Li2CoO2F, answered from cross-validated data.

What is Li2CoO2F?

Li2CoO2F is a semiconducting oxyfluoride material being researched for its potential as a high-performance cathode component in lithium-ion batteries.

More questions
What is Li2CoO2F used for?
Li2CoO2F is used in rechargeable battery cathodes, energy storage research, and solid-state ionics.
What is the band gap of Li2CoO2F?
Li2CoO2F has a DFT-computed band gap of 0.68 eV across 5 reported structures.
Is Li2CoO2F a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is Li2CoO2F thermodynamically stable?
Li2CoO2F has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of Li2CoO2F are known?
5 structures of Li2CoO2F are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2CoO2F contain?
Li2CoO2F contains Co, F, Li, and O (4 elements).
Where does the data for Li2CoO2F come from?
Li2CoO2F data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse family of layered lithium transition-metal oxides, Li2CoO2F serves as a functional bridge between traditional oxides like LiCoO2 and more complex oxyfluoride systems. While LiCoO2 is the industry standard for cathode materials, the addition of fluorine in Li2CoO2F modifies the electronic environment and structural stability, offering a distinct alternative to the manganese-rich members of the class such as LiMn2O4 or Li2MnO3.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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