Simulation of Novel Electronic Properties in Nanostructures

Nanoscale systems, such as molecules or graphene-based structures, exhibit unique properties that are extremely important for developing new nanoelectronic devices.

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.

The theoretical project described here will benefit from our close collaboration with experimental experts in the field.