Modifications of electronic structure around defects in two-dimensional materials by firstprinciples simulations and scanning tunneling microscopy experiments

Project Details

Description

In the proposed research exchange project, we will study both theoretically and experimentally the modification of electronic structure around defects, edges, and grain boundaries in 2D materials, as relevant for the future ultrathin flexible electronic applications. We will use scanning tunneling microscopy and spectroscopy (STM/STS) to obtain direct information on the spatial changes in the density of states, and thereby on the electrostatics. At the same time, we will develop atomistic models and use density functional theory (DFT) to assess the corresponding quantities. The experimental part of the project is carried out at University of Cologne, Germany, and the computational part at Aalto University, Finland. In addition to advancing the scientific goals, the exchange is also planned to provide students in-depth introduction to STM experiments and to DFT simulations.
Short titleMODEST/Komsa
AcronymMODEST
StatusFinished
Effective start/end date01/02/201931/01/2021