The Effect of Embedding Transition Metals on the Spintronic Properties of Graphene Ribbons

Public project summary

Over the years, molecular simulations have evolved immensely. Density Functional Theory is one of these methods of molecular simulations, and while it is highly accurate, it is very expensive. In our research, we look for more efficient simulations. Can we use graph theory to model graphene? We compare our graph theory model to experimental data to access the accuracy.