Abstract
In the present work, five 2-styryl-1-benzopyrylium salts and their relative self-assembly processes towards TiO2 nanocrystalline layers were evaluated as photosensitizers in dye-sensitized solar cells (DSSCs). Integration of these 2-styryl-1-benzopyrylium salts with the semiconductor allow for the performance of highly specific functions suitable for smart applications in material science. Spectroscopic and photoelectrochemical measurements conducted on these five bio-inspired dyes, in solution and upon adsorption onto titanium dioxide films, allowed detailed discussion of the anchoring ability of the different donor groups decorating the 2-styryl-1-benzopyrylium core and have demonstrated their ability as photosensitizers. Our results suggest that the introduction of a dimethylamino group in position 4′ of the 2-styryl-1-benzopyrylium skeleton can alter the conjugation of the molecule leading to larger absorption in the visible region and a stronger electron injection of the dye into the conduction band of TiO2. Moreover, our experimental data have been supported by theoretical calculations with the aim to study the energy of the excited states of the five compounds. In this specific case, the simulations reported contributed to better describe the properties of the compounds used and to help create the necessary basis for the design of new and targeted bio-inspired molecules.
Highlights
A complex system is made by individual parts affected by near interactions, of short distance, which cause modifications in the whole system
We investigate for high-performance dyes [5,6]. 2-styryl-1-benzopyrylium salts as dyes for dye-sensitized solar cells (DSSCs)
Five 2-styryl-1-benzopyrylium salts were used as photosensitizers in DSSC
Summary
A complex system is made by individual parts affected by near interactions, of short distance, which cause modifications in the whole system. Scientists can detect these local modifications but cannot predict as the system evolves in the future as a whole. The individual elements determine the overall behavior of theofsystems and provides them them with linear. Determine the overall behavior the systems and provides properties that can be completely unrelated to the individual elements. With properties that can be completely unrelated to the individual elements This peculiarity peculiarity is is known known as as emergent emergent behavior, behavior, i.e., i.e., starting from the between the the As Edgar Morin (a French Philosopher) says, “in complex systems unpredictability and paradox are always present and some things will remain unknown.” The greater is the quantity and the variety of relations between the elements of a system, the greater its complexity, on condition that the relations between the elements are non-linear.
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