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Information × Registration Number 0220U104573, 0120U104584 , R & D reports Title High-performance photovoltaic solar cells based on new dye-sensitizers. Molecular design and optimization of photoinduced process» popup.stage_title Head Kalugin Oleg M., Кандидат хімічних наук Registration Date 23-12-2020 Organization V.N. Karazin Kharkiv National University popup.description2  The objects of research are the microscopic structure of the dye D205 fixed on the surface of TiO2 in the medium of ionic liquids and acetonitrile; theoretical and experimental methods of design and research of organic compounds suitable for use in solar cells; methods for the synthesis of organic dye sensitizers for DSSC; dependences of spectral properties of organic compounds on their electronic and spatial structure. The subject of research is the microscopic structure of the dye D205 on the surface of TiO2 and the absorption and fluorescence spectra of organic sensitizers in solvents of different nature. The purpose of the work is to develop methods and synthesis of new dyes and predict their electron-spectral characteristics, as well as predict the behavior of the dye-sensitizer for DSSC covalently attached to the surface of the semiconductor. Research methods - molecular dynamics simulation, spectrophotometry, NMR spectroscopy, LC / MS spectrometry, organic synthesis, thermogravimetry (TGA). In this work, the influence of the environment (BmimPF6, BmimTFO, acetonitrile) on the microscopic structure and dynamics of the dye D205 covalently fixed on the surface of TiO2 (modification - anatase, face 001) was investigated. BmimPF6 and BmimTFO counterions, as well as acetonitrile molecules, strongly interact with the polar surface of TiO2 to form highly ordered near-surface regions consisting of three layers of solvent. Tightly packed layers of adsorbed cations of IR and ACN molecules shield the direct contact of the fixed on the surface of TiO2 chromophore D205 with the surface. The peculiarities of thermolysis of 2-N- (aroylhydrazone) coumarin-3-carboxamides and the influence on the course of the recycling reaction of substituents of different electronic nature by the TGA method have been studied. Based on the obtained results, the synthesis methods were improved and a number of new coumarin dyes were synthesized using the Anton Paar Monowave 50 reactor. Product Description popup.authors Ivanov Volodymyr V. Kaluhin Oleh M. Kirichenko Oleksandr V. Kovalenko Serhii M. Kolesnik Yaroslav V. popup.nrat_date 2020-12-23 Close