Very recently it has been shown how one can grow 2D molecular “bottom-up” structures, where
molecular units -- like “lego-bricks” -- are connected on a metal surface into a 100 nm scale
network. The first structures (see figure) may be viewed as connected carbon nano-ribbons and
our quantum transport calculations have revealed how quantum interference effects impact the
electronic transport in these systems. This is just the beginning: the properties of the networks
may be tailored using the powerful tools of organic synthesis, and simulations play a vital role for
the exploration of the properties. The 2D structures may be interesting for novel technology such
as new types of electronics incl. quantum electronics, ultra-sensing, filtration etc.
The aim of this proposal is to perform multi-scale quantum transport calculations of the electron
transport properties of 2D molecular networks. In the simulations we want to explore how one
may control the electronic current path by chemical functionalization and changes in the
molecular building blocks.
The project will involve interaction with groups outside DTU (Berlin, San Sebastian)
Good grasp of solid-state physics and quantum mechanics. Programming skills (e.g. python).