CO2

Carbon dioxide · Dry ice, Carbonic anhydride

Carbon dioxide is a stable, insulating molecular compound that plays a vital role in biological and industrial systems.

CO
Crystal structure of CO2
Ground-state structure · Materials Project
Overview

About Carbon dioxide

Carbon dioxide is a fundamental molecular compound consisting of carbon and oxygen. It is characterized by its wide-gap insulating electronic nature and high thermodynamic stability, placing it firmly on the convex hull of stable phases.

Due to its prevalence and stability, this compound is one of the most extensively studied materials in chemical databases. It serves as a critical component in atmospheric chemistry, biological respiration, and various industrial cooling and carbonation applications.

At a glance

Key Properties

Cross-validated computational properties for Carbon dioxide, aggregated across 4 databases.

Band Gap

4.22–7.65 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

59
4 databases, 18 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CO2.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Carbon dioxide is used.

Refrigeration and food preservationCarbonated beveragesFire suppression systemsIndustrial solvent and extraction agentPhotosynthesis and plant growth
Intellectual Property

Patent Landscape

499 patents reference CO2 or close compositional variants.

PatentTitleAssigneeGranted
9114359Method for producing sorbents for CO2 capture under high temperatures
9272255Combustion device that produces hydrogen with the re-use of captured CO2
9770706Catalyst composition for the production of syngas from methane, process therefore and process for CO2 reformin
8178588Method and apparatus for reducing CO2 in a stream by conversion to a syngas for production of energy
8197576CO2-facilitated transport membrane and method for producing the same
9228494Hybrid cycle SOFC-inverted gas turbine with CO2 separation
9339757Rate enhancement of CO2 absorption in aqueous potassium carbonate solutions by an ammonia-based catalyst
9895648CO2 recovery system
7604684Method for selective removal of hydrogen sulphide and CO2 from crude gas
8894830CO2 utilization in electrochemical systems
Reference

Frequently Asked Questions

Common questions about Carbon dioxide, answered from cross-validated data.

What is CO2?

Carbon dioxide is a stable, insulating molecular compound that plays a vital role in biological and industrial systems.

More questions
What is CO2 used for?
Carbon dioxide (CO2) is used in refrigeration and food preservation, carbonated beverages, fire suppression systems, industrial solvent and extraction agent, and photosynthesis and plant growth.
What is the band gap of CO2?
Carbon dioxide (CO2) has a DFT-computed band gap of 4.22–7.65 eV across 59 reported structures.
Is CO2 a metal, semiconductor, or insulator?
With a wide band gap up to 7.65 eV it is an insulator / wide-band-gap material.
Is CO2 thermodynamically stable?
Yes — Carbon dioxide (CO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CO2 are known?
59 structures of CO2 are reported across 4 databases, spanning 18 distinct space groups.
How is CO2 synthesized?
Literature-reported routes for CO2 include solid state.
What elements does CO2 contain?
Carbon dioxide (CO2) contains C and O (2 elements).
Where does the data for CO2 come from?
CO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a foundational molecular oxide, carbon dioxide serves as the benchmark for stability and electronic insulation within its chemical family, representing a highly robust and well-documented phase in structural materials science.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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