Dissertation
A computational study of structural and excitonic properties of chlorosomes
The long-held desire - to link structure directly to function and to explain molecular mechanisms based on basic chemical or physical principles - is finally coming closer, satisfying not only our scientific curiosity but also offering new solutions to the many challenges in the field of health, energy and sustainability.
- Author
- Li, X.
- Date
- 06 May 2020
- Links
- Thesis in Leiden Repository
The long-held desire - to link structure directly to function and to explain molecular mechanisms based on basic chemical or physical principles - is finally coming closer, satisfying not only our scientific curiosity but also offering new solutions to the many challenges in the field of health, energy and sustainability. This thesis aims to understand the mechanisms of the largest and most efficient antenna complex in photosynthetic bacteria, the chlorosome, at the molecular level. By linking classical methods for the description of molecular motions to quantum models for electronic movements, and comparison with experimental data, I was able to unambiguously determine the molecular structure of chlorosomes. Moreover, this hybrid approach provided new and unique insight into how these antennae encode robust and efficient functions in structure and structural dynamics. This elucidates the origin of their photosynthetic efficiency, which can be useful for the design of new generations of solar cells. Furthermore, we gain unique insight into the versatile ways in which nature encodes its functions: not only in DNA, but also in the way molecules arrange themselves in a larger aggregate, and the dynamics that results from it.