The Department of Physics at DTU is inviting applications for a PhD project on computational modelling of graphene nanostructures. The focus will be on first-principles calculations of electronic properties, in particular on band gap engineering using e.g. anti-dot structuring and/or chemical functionalization. The influence of substrates on the electronic properties of graphene will also be explored. The calculations will be performed within the framework of density functional theory (DFT) for ground state properties and time-dependent density functional theory for excited state properties using the GPAW electronic structure code developed at DTU-Physics.
Applicants should have a master’s degree in engineering or a similar degree and have a strong background in theoretical solid state physics or physical chemistry. Some knowledge of density functional theory (DFT) and many-body perturbation theory is preferable but not a requirement.