Class Statistics
What are Electrochromic and Refractory-Metal Oxides?
Electrochromic and refractory-metal oxides represent a distinctive class of transition metal oxides, primarily characterized by their d0 electronic configuration and layered or open-framework crystal structures. The most prominent members of this group include tungsten trioxide (WO3), molybdenum trioxide (MoO3), vanadium pentoxide (V2O5), and niobium pentoxide (Nb2O5). These materials are defined by their ability to undergo reversible electrochemical intercalation of small cations, such as protons or lithium ions, coupled with electron injection. This process triggers a significant change in the material's optical properties—typically transitioning from a transparent or bleached state to a deeply colored, opaque state—due to the formation of intervalence charge-transfer transitions or the creation of polarons. Beyond their utility in smart windows and dynamic architectural glazing, these oxides are critical in the development of high-performance energy storage devices, particularly pseudocapacitors. Their high surface area and ability to facilitate fast, reversible redox reactions allow them to store substantial charge density compared to traditional electric double-layer capacitors. The structural versatility of these oxides allows for the tuning of their electrochemical potential and optical contrast, making them indispensable for next-generation optoelectronic devices and energy-efficient building technologies. As researchers continue to explore nanostructuring techniques, the kinetics of ion diffusion within these lattices are being optimized, further enhancing their response times and long-term cycling stability for industrial applications.
Top Electrochromic and Refractory-Metal Oxides
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| V2O5 | 0.03–2.75 eV | 0.0000 | On hull (stable) | 2 | 6 |
| MoO2 | 0.48–1.43 eV | 0.0000 | On hull (stable) | 3 | 0 |
| MoO3 | 0.52–1.95 eV | 0.0000 | On hull (stable) | 3 | 0 |
| Nb2O5 | 0.98–2.60 eV | 0.0000 | On hull (stable) | 3 | 1 |
| NbO2 | 0.04–0.43 eV | 0.0000 | On hull (stable) | 2 | 0 |
| WO3 | 0.34–2.66 eV | 0.0000 | On hull (stable) | 2 | 1 |
| Mo2O5 | 0.76–1.51 eV | 0.0783 | Metastable | 3 | 0 |
| MoO4 | 0.50–0.91 eV | 0.4694 | Above hull | 1 | 0 |
| Nb4O8 | 0.04–0.43 eV | 0.0000 | On hull (stable) | 2 | 0 |
| O10V4 | 0.03–2.75 eV | 0.0000 | On hull (stable) | 2 | 0 |
| O16V8 | 0.07–1.49 eV | 0.0000 | On hull (stable) | 2 | 0 |
| O5V2 | 0.03–2.75 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O8V4 | 0.07–1.49 eV | 0.0000 | On hull (stable) | 2 | 0 |
| V2O3 | 0.41–1.52 eV | 0.0000 | On hull (stable) | 2 | 0 |
| VO | 0.78–1.98 eV | 0.0218 | Near hull (likely stable) | 2 | 0 |
| VO2 | 0.07–1.49 eV | 0.0000 | On hull (stable) | 2 | 0 |
| WO2 | 0.57–2.48 eV | 0.0000 | On hull (stable) | 2 | 0 |
| O6W2 | 0.34–2.66 eV | 0.0000 | On hull (stable) | 2 | 0 |
| O6V4 | 0.41–1.52 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Mo4O12 | 0.52–1.95 eV | 0.0000 | On hull (stable) | 2 | 0 |
| V3O5 | 0.24–1.31 eV | 0.0077 | Near hull (likely stable) | 2 | 0 |
| Mo4O8 | 0.48–1.43 eV | 0.0000 | On hull (stable) | 2 | 0 |
| NbO | Metallic / not reported | 0.0000 | On hull (stable) | 3 | 0 |
| Mo8O24 | 0.52–1.95 eV | 0.0000 | On hull (stable) | 2 | 0 |
| O8W4 | 0.57–2.48 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Mo2O6 | 0.52–1.95 eV | 0.0000 | On hull (stable) | 2 | 0 |
| MoO5 | 0.49 eV | 0.6692 | Above hull | 1 | 0 |
| W3O8 | 1.56–2.73 eV | 0.0093 | Near hull (likely stable) | 2 | 0 |
| O12W4 | 0.34–2.66 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O20V8 | 0.03–2.75 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O24W8 | 0.34–2.66 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O32V16 | 0.07–1.49 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O40V16 | 0.03–2.75 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O4V2 | 0.07–1.49 eV | 0.0000 | On hull (stable) | 1 | 0 |
| VO3 | 0.08–0.98 eV | 0.3109 | Above hull | 1 | 0 |
| O14V8 | 0.31–1.31 eV | 0.0371 | Metastable | 2 | 0 |
| O3V | 0.08–0.98 eV | 0.3109 | Above hull | 1 | 0 |
| V4O7 | 0.31–1.31 eV | 0.0371 | Metastable | 2 | 0 |
| V6O13 | 0.03–0.52 eV | 0.0430 | Metastable | 2 | 0 |
| O18W6 | 0.34–2.66 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O3W1 | 0.34–2.66 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O9W3 | 0.34–2.66 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O13V6 | 0.03–0.52 eV | 0.0430 | Metastable | 1 | 0 |
| Mo3O8 | 0.75–1.23 eV | 0.2540 | Above hull | 1 | 0 |
| Nb4O10 | 0.98–2.60 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Mo16O44 | 0.04 eV | 0.0050 | Near hull (likely stable) | 2 | 0 |
| Mo2O3 | 0.52 eV | 0.3291 | Above hull | 1 | 0 |
| W2O3 | 0.21 eV | 0.8733 | Above hull | 1 | 0 |
| O8W3 | 1.56–2.73 eV | 0.0093 | Near hull (likely stable) | 1 | 0 |
| Nb2O4 | 0.04–0.43 eV | 0.0000 | On hull (stable) | 1 | 0 |
Frequently Asked Questions
How many electrochromic and refractory-metal oxides are in the database?
208 electrochromic and refractory-metal oxides are tracked, of which 46 have multi-source DFT validation and 3 have documented synthesis routes.
What is the most data-rich electrochromic and refractory-metal oxide?
Which electrochromic and refractory-metal oxide has the widest band gap?
How do electrochromic oxides change color?
Why are these materials useful for smart windows?
What is the role of these oxides in energy storage?
What distinguishes d0 oxides from other metal oxides?
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