Ab-initio simulaties van volgende generatie componenten gemaakt van 2d materialen

The premise of this research is to investigate some of the limitations concerning two-dimensional materials for next-generation devices, such as nanoscale transistors, and verify whether these limitations are inherent or whether they can be overcome by using other device parameters and better manufacturing processes. The main focus is the metal contacts between the leads and the two-dimensional semiconductor with a secondary topic being the investigation of self-heating effects by electron-phonon scattering. These research questions are investigated using ab-initio techniques such as density functional theory and the non-equilibrium Green's functions formalism.