Molecular-based energy conversion materials such as metal-organic frameworks (MOFs) have great potential to overcome current limitations in solar energy conversion such as inefficient charge transfer and separation. Through hierarchical synthesis, highly ordered structures containing multiple different building blocks can be created.

Within this project, the researchers will develop a theoretical framework to simulate and predict how hierarchical orientation of different building blocks, structural defects, and grain boundaries in porous thin films affect charge carrier properties across the film.

Based on this model, they will identify optimal structure and composition of MOFs and develop automated workflows for their synthesis.

Researchers