An Elementary Combination: Carbon and Oxygen

A wide variety of novel structures for compounds containing carbon can form under extreme conditions.

High pressure structureA wide variety of novel structures for compounds containing carbon can form under extreme conditions. Some of the unique carbon monoxide structures that may exist have been investigated theoretically [1]. The researchers employed state-of-the-art structural search methods—based on first-principles quantum methods for solids—to find stable structures of carbon monoxide consisting of both three-dimensional frameworks and layered structures that would be stable at pressures greater than 20 kilobars. Some of these structures could be metallic and others might be recoverable to ambient pressure. This research demonstrates the importance of modern structural search methods for exploring the potential unique carbon-based materials. This area is also of great interest to the DCO Extreme Physics and Chemistry Community.

This research was carried out by an international team with members located at the Ruhr-Universität Bochum in Germany, at the National Research Council in Canada, at the University College London, United Kingdom, and at the Cavendish Laboratory, Cambridge, United Kingdom.

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