Project Area 3: Control exciton delocalization by shear-induced alignment | ARC Centre of Excellence in Exciton Science

We will control exciton delocalization by shear-induced alignment. In a bilayer heterojunction device, we control the relative orientation of the donor and acceptor molecules.

Promoting chain alignment is expected to enhance exciton delocalisation. We study how interfacial chain alignment impacts solar cell performance in such devices.

Advanced synchrotron characterisation of organic semiconductor thin films. 
Project sketch Advanced synchrotron characterisation of organic semiconductor thin films.  

Supervisor: C. McNeill, Materials Science and Engineering, MON

Co-supervisor: V. Mitchell, Chemistry, UoM; A. Köhler, Experimental Physics, UBT; E. M. Herzig, Experimental Physics, UBT

In this project, a range of synchrotron-based techniques will be used to study the microstructure of organic semiconductor thin films.

The combination of scattering, diffraction and spectroscopy techniques will allow for the complex microstructure of such films to be disclosed.

Work in Australia will focus on synchrotron measurements using the Australian synchrotron located adjacent to Monash University, while in Germany complementary optical techniques will be exploited to understand how microstructure determines photophysical processes in organic solar cells. 

Alignment and orientation control in thin films via in-situ monitoring of thin film processing
photo of a setup for Alignment and orientation control in thin films via in-situ monitoring of thin film processing 

Supervisor: E.M. Herzig, Experimental Physics, UBT

Co-supervisor: C. McNeill, Materials Science and Engineering, MON; S. Kümmel, Theoretical Physics UBT; D. Jones, Chemistry, UoM; A. Köhler, Experimental Physics, UBT 

On the nanoscale it strongly matters how different molecules arrange.

While the arrangement is driven by physical forces during film drying, it might at first sight look like we cannot do much about how the constituents end up arranging on the substrate.  

However, understanding the basic structure formation mechanisms using time-resolved measurements allows us to interfere with the structure formation process and enables us to steer the molecules into a certain behaviour.

Such artificially arranged samples will aid our collaborators to extract further fundamental knowledge on the working of organic solar cells, which will most likely form an important part of our future regenerative energy source.

 

Electronic excitations in molecular systems for organic solar cells

Supervisor: S. Kümmel, Theoretical Physics UBT

Co-supervisor: C. McNeill, Materials Science and Engineering, MON; E.M. Herzig, Experimental Physics, UBT; D. Jones, Chemistry, UoM; A. Köhler, Experimental Physics, UBT

We will use Density Functional Theory (DFT) and time-dependent DFT to calculate the structural properties and the electronic excitations in molecular systems in which one part serves as an electron donor and the other as an electron acceptor.

Our aim is to find configurations which allow for efficient charge separation and thus can improve solar cell efficiency.

Our main tools are first-principles electronic structure programs, and we rely on programs developed in our group as well as on commercially available ones.

The ideal candidate should have a master's degree in physics or theoretical chemistry with a background in electronic structure theory.

Possession of an interest in the theoretical concepts that underpin DFT is welcome and encouraged.