New model describes geometric features of carbon networks and their influence on the material’s properties

Scientists at Tohoku University and colleagues in Japan have developed a mathematical model that abstracts the key effects of changes to the geometries of carbon material and predicts its unique properties.

Scientists generally use mathematical models to predict the properties that might emerge when a material is changed in certain ways. Changing the geometry of three-dimensional (3D) graphene, which is made of networks of carbon atoms, by adding chemicals or introducing topological defects, can improve its catalytic properties, for example. But it has been difficult for scientists to understand why this happens exactly.