Ecodesign of Kesterite Nanoparticles for Thin Film Photovoltaics at Laboratory Scale

This manuscript investigates the efficient synthesis of copper zinc tin sulfide (CZTS) nanoparticles for CZTS thin film solar cell applications with a primary focus on environmental sustainability. Underpinning the investigation is an initial life-cycle assessment (LCA) analysis. This LCA analysis is conducted to evaluate the environmental impact of different synthesis volumes, providing crucial insights into the sustainability of the synthesis process by considering the flows of material and energy associated with the process. Life-cycle assessment results demonstrate that significant reductions to the environmental impact can be made by increasing the synthesis volume of CZTS nanoparticle ink. Using a 5-fold increase in volume can reduce all 11 investigated environmental impacts by up to 35.6%, six of these impacts demonstrating reductions >10% and the amount of global warming potential is reduced by 21.4%. Motivated by the LCA results, COMSOL simulations are employed to understand the fluid flow patterns in large-scale fabrication. Various sizes and speeds of stirrer bars are investigated in these simulations, and it is determined that a 50 mm stir bar at 200 rpm represents the optimal configuration for the synthesis process in a 500 mL flask. Subsequently, large-batch CZTS nanoparticle inks are synthesized using these parameters and compared to small-batch samples. The light absorbers are characterized using Raman spectroscopy and X-ray diffraction, confirming favorable properties with close-to-ideal elemental ratios in large-batch synthesis. Finally, solar cell devices fabricated utilizing CZTSSe absorbers from the large volume synthesis process demonstrate comparable performance to those fabricated using small-batch synthesis, with uniform power conversion efficiencies of around 5% across the substrate. This study highlights the potential of large-volume CZTS nanoparticle synthesis for efficient and environmentally friendly CZTS solar cell fabrication, contributing to the advancement of sustainable renewable energy technologies.