Electronic properties of nanosize GNRs: The role of the anchoring groups

In this work we have studied the electronic behavior of organic molecules that could be considered as basic blocks of graphene nanoribbons. We have focused on the role that plays the molecule-metal contact. Thus, the influence of the number and positions of those contacts is analyzed. To carry out the calculation we have used the Density Functional Theory and Non-Equilibrium Green Functions Approach.