Design and characterization by using computational methodologies and life cycle assessment (LCA) of devices for energy production from renewable energy sources

This thesis focuses on the design and characterization of more efficient components for Dye-Sensitized Solar Cells (DSSCs), an example of innovative latest generation photovoltaic systems. DSSCs are considered as a promising alternative to silicon solar cells due to their low cost, flexibility, and facile fabrication. However, a low photo-electric conversion efficiency and stability of these cells are the main obstacles for their large-scale commercial applications. An emerging challenge is to find an optimum set of materials to improve the performance of DSSCs. One of the key components to optimize is the light absorbing dye (also referred as sensitizer) that is employed to enhance light harvesting of TiO2 nanoparticles. Indeed, sensitizers are responsible for DSSCs photovoltaic performances, transparency and color. Another scope of this thesis is the assessment of the environmental performances connected with the fabrication of DSSCs components, namely the sensitizer, through the application of the Life Cycle Assessment (LCA) methodology. Indeed, to evaluate the sustainability of photovoltaic devices, the investigation of the environmental impacts generated during their fabrication is essential in order to improve and optimize the energy and resource efficiency of manufacturing processes and, ultimately, the environmental footprint of the device.