Batteries — Anodes

Conversion Oxide Anodes

Binary transition-metal oxides such as Co3O4, Fe3O4, and SnO2 that store charge through conversion reactions rather than intercalation, delivering 2-3x graphite's capacity at the cost of voltage hysteresis.

At a glance

Class Statistics

Compounds Tracked
372
Multi-Source DFT
90
With Synthesis Routes
10
Avg. Agreement
1.00 / 1.00
Overview

What are Conversion Oxide Anodes?

Conversion oxide anodes represent a distinct class of electrode materials for lithium-ion batteries that operate through a fundamental chemical transformation rather than the traditional intercalation mechanism. Unlike graphite, which hosts lithium ions within its layered structure, binary transition-metal oxides—such as cobalt oxide, iron oxide, and tin oxide—undergo a complete conversion reaction. During the lithiation process, these oxides react with lithium to form metallic nanoparticles dispersed within a lithium-oxide matrix. This mechanism allows for the storage of multiple lithium ions per metal atom, resulting in theoretical capacities that significantly exceed those of conventional carbon-based anodes. Because of this high energy density, these materials are considered essential candidates for next-generation, high-performance energy storage systems. However, the practical application of conversion oxide anodes faces persistent challenges. The conversion process is inherently associated with substantial volume expansion and contraction during cycling, which can lead to mechanical pulverization of the electrode material and loss of electrical contact. Furthermore, these materials typically exhibit significant voltage hysteresis, where the discharge potential is notably lower than the charge potential, leading to reduced energy efficiency. Despite these hurdles, ongoing research into nanostructuring, carbon-coating, and binder optimization aims to mitigate these issues, making conversion oxides a focal point for researchers seeking to push the boundaries of battery capacity. By engineering the morphology and interface of these oxides, scientists hope to stabilize the conversion reaction, thereby unlocking the potential for longer-lasting and more powerful battery technologies.

Members

Top Conversion Oxide Anodes

Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.

FormulaBand GapBest EAH (eV/atom)StabilityDFT SourcesRecipes
CuO0.02 eV0.0000On hull (stable)334
Fe2O30.12–1.69 eV0.0000On hull (stable)37
MnO20.54–1.94 eV0.0000On hull (stable)32
Fe3O40.02–1.21 eV0.0131Near hull (likely stable)31
Mn2O30.07–0.35 eV0.0000On hull (stable)31
SnO20.32–2.09 eV0.0000On hull (stable)23
Co3O4Metallic / not reported0.0000On hull (stable)44
CoO0.22–0.71 eV0.0000On hull (stable)21
CoO20.01–1.25 eV0.0000On hull (stable)30
FeO0.05–2.09 eV0.0000On hull (stable)30
MoO20.48–1.43 eV0.0000On hull (stable)30
MoO30.52–1.95 eV0.0000On hull (stable)30
Co2O30.15 eV0.3006Above hull20
CuO20.07 eV0.1801Above hull20
FeO21.15 eV0.1452Above hull20
MnO0.18–1.31 eV0.0000On hull (stable)20
SnO0.41–1.64 eV0.0000On hull (stable)21
Cu2O0.51 eV0.0000On hull (stable)21
Mn3O40.83 eV0.0000On hull (stable)30
Mo2O50.76–1.51 eV0.0783Metastable30
Co4O80.01–1.25 eV0.0000On hull (stable)20
Cu2O20.02 eV0.0000On hull (stable)20
Fe2O20.05–2.09 eV0.0000On hull (stable)20
Fe2O41.15 eV0.1452Above hull20
Fe4O40.05–2.09 eV0.0000On hull (stable)20
Fe4O81.15 eV0.1452Above hull20
Mn2O40.54–1.94 eV0.0000On hull (stable)20
MoO40.50–0.91 eV0.4694Above hull10
Cu4O80.07 eV0.1801Above hull20
Fe8O80.05–2.09 eV0.0000On hull (stable)20
Mn4O40.18–1.31 eV0.0000On hull (stable)20
Fe3O61.15 eV0.1452Above hull20
Cu4O40.02 eV0.0000On hull (stable)20
FeO30.31 eV0.5404Above hull20
O8Sn40.32–2.09 eV0.0000On hull (stable)20
Cu2O30.14 eV0.0000On hull (stable)20
Fe7O81.07 eV0.0629Metastable20
Mo4O120.52–1.95 eV0.0000On hull (stable)20
Cu8O80.02 eV0.0000On hull (stable)20
Mn8O80.18–1.31 eV0.0000On hull (stable)20
Mn5O80.55 eV0.0132Near hull (likely stable)30
O4Sn40.41–1.64 eV0.0000On hull (stable)20
Cu6O60.02 eV0.0000On hull (stable)20
MnO3Metallic / not reported0.4927Above hull30
Mo4O80.48–1.43 eV0.0000On hull (stable)20
Mo8O240.52–1.95 eV0.0000On hull (stable)20
Co4O40.22–0.71 eV0.0000On hull (stable)20
Mo2O60.52–1.95 eV0.0000On hull (stable)20
MoO50.49 eV0.6692Above hull10
Co1O20.01–1.25 eV0.0000On hull (stable)10
Reference

Frequently Asked Questions

How many conversion oxide anodes are in the database?

372 conversion oxide anodes are tracked, of which 90 have multi-source DFT validation and 10 have documented synthesis routes.

More questions
What is the most data-rich conversion oxide anode?
CuO is the most thoroughly characterized, with 315 reported structures.
Which conversion oxide anode has the widest band gap?
Among the top compounds, SnO2 has the widest reported DFT band gap (2.09 eV).
How do conversion oxide anodes differ from traditional intercalation anodes?
Intercalation anodes store lithium ions within a host lattice structure without breaking chemical bonds, whereas conversion anodes undergo a chemical reaction that breaks the metal-oxygen bonds to form new phases.
Why do conversion oxide anodes suffer from voltage hysteresis?
Voltage hysteresis arises from the significant structural reorganization and the energy barriers associated with breaking and reforming chemical bonds during the conversion and reconversion processes.
What is the primary cause of capacity fade in these materials?
Capacity fade is primarily driven by the large volume changes during cycling, which cause mechanical stress, particle cracking, and the eventual loss of electrical connectivity between the active material and the current collector.
How can the performance of conversion oxide anodes be improved?
Performance is typically enhanced through nanostructuring to shorten diffusion paths, incorporating conductive carbon matrices to improve electron transport, and utilizing advanced binders to accommodate volume expansion.
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