Li2Fe2OF6 is an oxyfluoride ceramic compound combining lithium, iron, oxygen, and fluorine in a mixed-anion structure. This material is primarily investigated in battery and energy storage research, particularly as a potential cathode material or solid electrolyte component for lithium-ion batteries, where the fluoride and oxide components can enhance ionic conductivity and electrochemical stability. Engineers and researchers evaluate this composition for next-generation energy storage systems where improved cycle life, thermal stability, or ionic transport properties are critical—though it remains largely in the research and development phase rather than widespread commercial production.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.561 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.3520 | eV | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.2233 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.2233 | me | DFT · OptB88vdW · 27°C | ||
Thermoelectric Power Factor(PF)2 entries | 0.0000873 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.0000218 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 4.773 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 171 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.08620 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.400 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data