Project description

Singlet exciton fission is a process by which a singlet excited state can be efficiently transformed into a combination of two triplet excited states. If both these triplet states can be used effectively this can ultimately lead to a significant increase in the efficiency of dye sensitized (Grätzel) solar cells that are based on organic materials. Molecules in which exciton fission takes place generally consist of multiple units that absorb visible light. The mechanism of exciton fission is studied in the project by a team of PhD students and Postdocs using a wide range of approaches, including time-resolved spectroscopy (fluorescence, femtosecond transient absorption), quantum chemical calculations and organic synthesis of the dyes.

In this project the mechanism of singlet exciton fission will be studied theoretically using electronic structure calculations. The efficiency of the process depends on several different coupling values between different electronic configurations. These parameters will be studied by configuration interaction calculations (ab initio and semiempirical) in order to gain fundamental understanding of the factors that influence singlet exciton fission. In this way, the calculations can lead to a rational design of new molecules for singlet fission that will subsequently be synthesized and studied spectroscopically.

Although the main focus of the project is theoretical, a combination with time-resolved spectroscopy is possible. Therefore, candidates with a strong background in time-resolved spectroscopy are also invited to apply.

Short description of the group

The research will be performed in the optoelectronic materials group, which specializes in the fundamental study of materials for opto-electronic applications such as solar cells and light emitting diodes. The research is carried out in close collaboration with the Nano-organic chemistry section where the organic synthesis part of this research program is carried out.

Requirements

The successful candidate should have a MSc degree in (physical) chemistry or Physics, preferably with experience in computational chemistry. We expect a good command of the English language.

Contact

For more information please contact dr. Ferdinand C. Grozema, f.c.grozema@tudelft.nl.