Energy & Functional Oxides

Electrochromic and Refractory-Metal Oxides

WO3, MoO3, V2O5, and Nb2O5 — layered d0 oxides whose reversible ion intercalation switches optical absorption (smart windows) and stores charge (pseudocapacitors).

At a glance

Class Statistics

Compounds Tracked
208
Multi-Source DFT
46
With Synthesis Routes
3
Avg. Agreement
0.92 / 1.00
Overview

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.

Members

Top Electrochromic and Refractory-Metal Oxides

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

FormulaBand GapBest EAH (eV/atom)StabilityDFT SourcesRecipes
V2O50.03–2.75 eV0.0000On hull (stable)26
MoO20.48–1.43 eV0.0000On hull (stable)30
MoO30.52–1.95 eV0.0000On hull (stable)30
Nb2O50.98–2.60 eV0.0000On hull (stable)31
NbO20.04–0.43 eV0.0000On hull (stable)20
WO30.34–2.66 eV0.0000On hull (stable)21
Mo2O50.76–1.51 eV0.0783Metastable30
MoO40.50–0.91 eV0.4694Above hull10
Nb4O80.04–0.43 eV0.0000On hull (stable)20
O10V40.03–2.75 eV0.0000On hull (stable)20
O16V80.07–1.49 eV0.0000On hull (stable)20
O5V20.03–2.75 eV0.0000On hull (stable)10
O8V40.07–1.49 eV0.0000On hull (stable)20
V2O30.41–1.52 eV0.0000On hull (stable)20
VO0.78–1.98 eV0.0218Near hull (likely stable)20
VO20.07–1.49 eV0.0000On hull (stable)20
WO20.57–2.48 eV0.0000On hull (stable)20
O6W20.34–2.66 eV0.0000On hull (stable)20
O6V40.41–1.52 eV0.0000On hull (stable)20
Mo4O120.52–1.95 eV0.0000On hull (stable)20
V3O50.24–1.31 eV0.0077Near hull (likely stable)20
Mo4O80.48–1.43 eV0.0000On hull (stable)20
NbOMetallic / not reported0.0000On hull (stable)30
Mo8O240.52–1.95 eV0.0000On hull (stable)20
O8W40.57–2.48 eV0.0000On hull (stable)20
Mo2O60.52–1.95 eV0.0000On hull (stable)20
MoO50.49 eV0.6692Above hull10
W3O81.56–2.73 eV0.0093Near hull (likely stable)20
O12W40.34–2.66 eV0.0000On hull (stable)10
O20V80.03–2.75 eV0.0000On hull (stable)10
O24W80.34–2.66 eV0.0000On hull (stable)10
O32V160.07–1.49 eV0.0000On hull (stable)10
O40V160.03–2.75 eV0.0000On hull (stable)10
O4V20.07–1.49 eV0.0000On hull (stable)10
VO30.08–0.98 eV0.3109Above hull10
O14V80.31–1.31 eV0.0371Metastable20
O3V0.08–0.98 eV0.3109Above hull10
V4O70.31–1.31 eV0.0371Metastable20
V6O130.03–0.52 eV0.0430Metastable20
O18W60.34–2.66 eV0.0000On hull (stable)10
O3W10.34–2.66 eV0.0000On hull (stable)10
O9W30.34–2.66 eV0.0000On hull (stable)10
O13V60.03–0.52 eV0.0430Metastable10
Mo3O80.75–1.23 eV0.2540Above hull10
Nb4O100.98–2.60 eV0.0000On hull (stable)20
Mo16O440.04 eV0.0050Near hull (likely stable)20
Mo2O30.52 eV0.3291Above hull10
W2O30.21 eV0.8733Above hull10
O8W31.56–2.73 eV0.0093Near hull (likely stable)10
Nb2O40.04–0.43 eV0.0000On hull (stable)10
Reference

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.

More questions
What is the most data-rich electrochromic and refractory-metal oxide?
V2O5 is the most thoroughly characterized, with 120 reported structures.
Which electrochromic and refractory-metal oxide has the widest band gap?
Among the top compounds, V2O5 has the widest reported DFT band gap (2.75 eV).
How do electrochromic oxides change color?
They change color through a reversible electrochemical process where ions and electrons are inserted into the crystal lattice, causing a change in the oxidation state of the metal and inducing optical absorption.
Why are these materials useful for smart windows?
They allow for the dynamic control of light and heat transmission, enabling buildings to reduce energy consumption by adjusting transparency based on external environmental conditions.
What is the role of these oxides in energy storage?
They function as pseudocapacitive materials, storing energy through fast, surface-controlled redox reactions that provide higher charge density than conventional capacitor materials.
What distinguishes d0 oxides from other metal oxides?
The d0 electronic configuration refers to the absence of d-electrons in the metal cation, which creates a wide bandgap that is highly sensitive to the injection of external charge carriers.
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