Simulation of electronic properties in graphene nanostructures

Nanoscale graphene structures exhibit unique properties that are extremely important for developing new nanoelectronic devices. However, for graphene-based electronics to become a reality, atomic-level control of the structural, electronic and transport properties of graphene nanostructures

The main objective of this project is to contribute to the understanding of the electronic processes occurring in such graphene nanostructures. With this aim, ab initio simulations of electronic and/or transport properties will be performed using powerful computational tools based on density functional theory (DFT). Such tools allow to study different effects at the atomic scale, such as the influence of the geometry or the magnetic and spin dependent properties. The theoretical project described here will benefit from our close collaboration with experimental groups working in the field of graphene.