Synthesis of new non-fullerene acceptors based on indacenodithiophene core for organic solar cells

Due to the low cost, lightness and flexibility, Polymer Solar Cell (PSC) technology is considered one of the most promising energy technologies. In the past decades, PSCs using fullerenes or fullerene derivatives as the electron acceptors have made great progress with best power conversion efficiency (PCE) reaching 11%. However, fullerene type electron acceptors have several drawbacks such as complicated synthesis, a low light absorption coefficient and poor tuning in energy levels, which prevent the further development of fullerene-based PSCs. Hence the need to have a new class of electron acceptors as an alternative to conventional fullerene compounds. Non-fullerene acceptors (NFAs) have developed rapidly in the last years and the maximum PCEs have exceeded 14% for single-junction cells and 17% for double-junction tandem cells. By combining an electron-donating backbone, generally with several fused rings with electron-withdrawing units, we can simply construct NFA of the acceptor–donor–acceptor type (A–D–A). Versatile molecular structures have been developed using methods such as acceptor motif engineering and donor motif engineering. However, there are only a few electron-donating backbones that have been proved to be successful. Therefore, it is still necessary to develop promising building blocks to further enrich the structural diversity. An indacenodithiophene (IDT) unit with just five fused rings has a sufficiently rigid coplanar structure, which has been regarded as one of the promising electron-rich units to design high-performance A–D–A NFAs. In this work, performed at the King Abdullah University of Science and Technology in Saudi Arabia, a new nine-cyclic building block (TBIDT) with a two benzothiophene unit was synthesized and used for designing new non-fullerene electron acceptors.

Molecular organization of n-cyanobiphenyl liquid crystals on a molybdenite surface

The alignement and anchoring of liquid crystals on solid surfaces is a key problem for modern device technology that until now has been treated empirically, but that can now be tackled by atomistic computer simulations. Molecular dynamics (MD) simulations were used in this thesis work to study two films of 7 and 8 n-alkyl-4’cyanobiphenyl (7CB and 8CB) liquid crystals , with a thickness of 15 nm, confined between two (001) surfaces of MoS2 (molybdenite). The isotropic and nematic phases of both liquid crystals were simulated, and the resulting structures characterized structurally. A new force field was designed to model the interactions between the liquid crystal (LC) molecules and the surface of molybdenite, while an accurate force field developed previously was used to model the 7CB and 8CB molecules. The results show that the (001) molybdenite surface induces a planar orientation in both the liquid crystals. For the nematic phase of 8CB, one of the two solid/LC interfaces is composed of a first layer of molecules aligned parallel to the surface, followed by a second layer of molecules aligned perpendicular to the surface (also called, homeotropic). The effect of the surface appears to be local in nature as it is confined to the first 15 Angström of the LC film. Conversely, for the nematic phase of 7CB, a planar ordering is established into the LC film. The LC molecules at the interface with the molybdenite appear to align preferentially their alkyl chains toward the solid substrate. The resulting tilt angle of molecules was found to be in good agreement with experimental measurements available in literature. Despite the fact that the MD simulations spanned a time range of more than 100 ns, the nematic phases of both 7CB and 8CB were found not to be completely formed. In order to confirm the findings presented in this thesis, we propose to extend the current study.

Spatial-temporal variability of the benthic communities in Ravenna harbour using Autonomous Reef Monitoring Structures (ARMS) with focus on Non-Indigenous Species (NIS)

A Non-Indigenous Species (NIS) is defined as an organism, introduced outside its natural past or present range of distribution by humans, that successfully survives, reproduces, and establish in the new environment. Harbors and tourist marinas are considered NIS hotspots, as they are departure and arrival points for numerous vessels and because of the presence of free artificial substrates, which facilitate colonization by NIS. To early detect the arrival of new NIS, monitoring benthic communities in ports is essential. Autonomous Reef Monitoring Structures (ARMS) are standardized passive collectors that are used to assess marine benthic communities. Here we use an integrative approach based on multiple 3-month ARMS deployment (from April 2021 to October 2022) to characterize the benthic communities (with a focus on NIS) of two sites: a commercial port (Harbor) and a touristic Marina (Marina) of Ravenna. The colonizing sessile communities were assessed using percentage coverage of the taxa trough image analyses and vagile fauna (> 2 mm) was identified morphologically using a stereomicroscope and light microscope. Overall, 97 taxa were identified and 19 of them were NIS. All NIS were already observed in port environments in the Mediterranean Sea, but for the first time the presence of the polychaete Schistomeringos cf. japonica (Annenkova, 1937) was observed; however molecular analysis is needed to confirm its identity. Harbor and Marina host significantly different benthic communities, with significantly different abundance depending on the sampling period. While the differences between sites are related to their different environmental characteristic and their anthropogenic pressures, differences among times seems related to the different life cycle of the main abundant species. This thesis evidenced that ARMS, together with integrative taxonomic approaches, represent useful tools to early detect NIS and could be used for a long-term monitoring of their presence.