The Study Of Self-assembly Nanostructure Of Novel Porphyrin Derivatives On Graphite

In this thesis,the self-assembly behavior of a series of novel porphyrin derivatives on the surface of graphite(HOPG)was studied.We used scanning tunneling microscopy(STM)combined with molecular dynamics(MD)and density functional theory(DFT)to calculate simulations and summarize the assembly characteristics and laws.The main research contents are as follows:We have selected four porphyrin-based photovoltaic materials containing diketopyrrole(DPP)units.Using scanning tunneling microscopy(STM)technology combined with theoretical calculations,we studied their self-assembled structure on solid surfaces.The results show that these similar DPP-based porphyrin-based photovoltaic molecules can self-assemble into different nanostructures.It depends on the chemical structure and concentration,especially the structure of the main chain and alkyl chain.For the first time,we have studied the co-assembly of naphthalene cyclized phthalocyanine(ZnPcPDI4)and a series of pyridine derivatives coordinated by hydrogen bonding(C—H…N and C—H…O)at the solid/liquid interface.We used scanning tunneling microscope(STM)combined with theoretical simulation to demonstrate the interaction during self-assembly,reveal the intermolecular binding mode of phthalocyanine and ligands.This lays the foundation for the study of co-assembly of phthalocyanine and pyridine molecules regulated by hydrogen bonding.We selected three kinds of electron donor materials in solar cells and studied the self-assembly structure of these three conjugated porphyrin dimers on the graphite surface.And then we introduced C70 guest molecules.Interestingly,the C70 guest molecule is only co-assembled with one of the porphyrin molecule and form a new structure.This will provide important guidance for the synthesis of functional porphyrin conjugated molecules.It also provides a new idea for the fabrication of solar cell devices.