Subproject C03
Table of contents
2nd Funding Period
(Opto)Electronic Properties of Type-II van der Waals Heterostructures
The project aims to understand (opto)electronic properties of type-II HSs and their dependence on the stacking, twist angle, and layer composition. The project will focus on developing machine learning (ML) interatomic potentials (IPs) to relax the systems and then on establishing an efficient workflow to simulate (opto)electronic properties of HSs.
1st Funding Period
Optoelectronic Properties of 2D Perovskites and Other Inorganic-Organic Hybrid Materials
This project will focus on understanding optoelectronic and polaronic properties of the newly emerging families of 2D hybrid perovskites and 2D metal organic frameworks (MOFs), both being different types of inorganic-organic hybrid materials. This objective will be achieved using quantum-mechanical simulations of electronic, optical, and, on long-run, also excitonic properties using density functional theory (DFT)-based methods, but also methods beyond DFT, which are important, e.g. for correct representation of excitons.
Principal investigator
Dr. Agnieszka Kuc