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
262
Multi-Source DFT
0
With Synthesis Routes
30
Avg. Agreement
0.95 / 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
WO30.18–2.24 eV0.0000Stable17
O3W0.34–2.66 eV0.0000On hull (stable)—7
VO20.10–1.63 eV0.0000Stable13
Nb2O50.98–2.82 eV0.0000Stable12
O2V0.07–1.42 eV0.0000On hull (stable)—3
V2O50.74–2.51 eV0.0000Stable12
O6W20.74 eV—Not assessed—7
MoO30.09–2.44 eV0.0000Stable10
O12W40.82–1.62 eV—Not assessed—7
O24W80.25–1.50 eV—Not assessed—7
O18W61.10–1.79 eV—Not assessed—7
O3W10.73 eV—Not assessed—7
O9W30.76 eV—Not assessed—7
MoO20.46–1.40 eV0.0000Stable10
NbO20.04–0.47 eV0.0000Stable10
O5V20.03–2.75 eV0.0000On hull (stable)—2
Mo2O50.51–1.51 eV0.0084Stable10
MoO40.50–0.91 eV0.4694Above hull—0
V2O30.32–1.49 eV0.0000Stable10
VO0.70–1.19 eV0.0015Unstable10
WO20.37–1.54 eV0.0000Unstable10
V3O50.87 eV0.0021Stable10
Mo3O80.26–1.23 eV0.2449Unstable10
Mo2O30.69–0.76 eV0.0416Metastable—0
O13V60.03–0.18 eV0.0430Metastable—0
MoO50.49 eV0.6692Above hull—0
O3V20.41–1.52 eV0.0000On hull (stable)—0
Mo4O110.04–1.38 eV0.0050Near hull (likely stable)—0
O2W0.34–2.48 eV0.0000On hull (stable)—0
NbOMetallic / not reported0.0000Stable10
NbO3Metallic / not reported0.1886Unstable11
O8W30.73–2.47 eV0.0093Near hull (likely stable)—0
VO30.34–0.56 eV0.3269Above hull—0
WO40.81–1.22 eV0.3640Above hull—0
O8V40.19–0.73 eV—Not assessed—3
W3O80.10 eV0.0000Stable10
O4V20.74 eV—Not assessed—3
O7V40.37–1.31 eV0.0371Metastable—0
OV0.79–1.74 eV0.0218Near hull (likely stable)—0
Mo3O100.31 eV0.1525Unstable10
O5V30.24–1.15 eV0.0077Near hull (likely stable)—0
O8V30.08–0.60 eV0.1281Above hull—1
V4O70.75 eV0.0000Stable10
O3V0.08–0.98 eV0.3109Above hull—0
O32V160.17 eV—Not assessed—3
O16V80.68–0.74 eV—Not assessed—3
O7V30.31–1.45 eV0.0206Near hull (likely stable)—0
W3O100.26 eV0.4235Unstable10
Mo3O70.91 eV0.0893Metastable10
Nb4O90.24 eV0.1783Unstable10
Reference

Frequently Asked Questions

How many electrochromic and refractory-metal oxides are in the database?

262 electrochromic and refractory-metal oxides are tracked, of which 0 have multi-source DFT validation and 30 have documented synthesis routes.

More questions
What is the most data-rich electrochromic and refractory-metal oxide?
WO3 is the most thoroughly characterized, with 257 reported structures.
Which electrochromic and refractory-metal oxide has the widest band gap?
Among the top compounds, Nb2O5 has the widest reported DFT band gap (2.82 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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