Project R-9982

Growth and doping of graphene and diamond by means of first-principles calculations (Research)

Diamond and graphene are two carbon-based materials with very promising technological perspectives (cf. European graphene and quantum technology flagships) that can be grown in similar experimental setup but under different conditions. Graphene is a single atomic layer carbon-based material that has been very recently discovered. Its application as transparent conductive materials or sensor requires a well-controlled chemical doping and growth of high quality samples. Diamond is a well-known gemstone, although 100x more diamond is synthetically created than mined. Its potential for industrial and high-tech applications stems from its extreme properties, which come with extreme synthesis conditions. These result in low growth speeds which limits the progress of diamond research into new dopants, needed to tune the properties for high-tech applications. Quantum-mechanical atomic-scale modelling provides a powerful tool for the detailed investigation of material growth, as it allows for the surface reactions to be broken down into elementary steps. This project aims at elucidating the link between the growth and the dopant atomic properties for both diamond and graphene. The results are validated through collaborations with experimental research groups in Europe. The resulting synergy will provide fundamental understanding of the growth of doped diamond and graphene; allowing for the focused tuning of doped layers, pushing back the boundaries of graphene and diamond research.

01 September 2019 - 31 August 2023