Molecular Structure (IMAGE)

Penn State

Molecular Structure

Caption

Each diffusion path for an oxygen atom (red) moving across a graphene ring composed of carbon atoms (gray ) is considered a 'distortion' and is indexed by a unique 'distortion symmetry group' indicated below each image. The symmetry group contains all the essential information about the properties of the material system as the diffusion occurs, including the ability to help determine the minimum energy pathway. In this case, the minimum energy pathway is when oxygen moves around the ring (right image) rather than across it (left image).

Credit

Venkat Gopalan, Penn State

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