Symmetry and Environmental Performance of PTB7-Th:ZY-4Cl Non-Fullerene Solar Cells: LCA, Benchmarking, and Process Optimization

Organic photovoltaics (OPVs) based on non-fullerene acceptors (NFAs) are rapidly advancing as lightweight, flexible, and low-cost solar technologies, with power conversion efficiencies approaching 20%. To ensure that environmental sustainability progresses symmetrically alongside performance improvements, it is essential to quantify the environmental footprint of these emerging technologies, particularly during early development stages when material and process choices remain adaptable. This study presents a cradle-to-gate life cycle assessment (LCA) of PTB7-Th:ZY-4Cl solar cells, aiming to identify asymmetries in environmental impact distribution and guide eco-efficient optimization strategies. Using laboratory-scale fabrication data, global warming potential (GWP), cumulative energy demand (CED), acidification (AP), eutrophication (EP), and fossil fuel depletion (FFD) were evaluated via the TRACI methodology. Results reveal that electricity consumption in thermomechanical operations (ultrasonic cleaning, spin coating, annealing, and stirring) disproportionately dominates most impact categories, while chemical inputs such as PEDOT:PSS, PTB7-Th:ZY-4Cl precursors, and solvents contribute significantly to fossil fuel depletion. Substituting grid electricity with renewable sources (hydro, wind, PV) markedly reduces GWP, and solvent recovery or replacement with greener alternatives offers further gains. Although extrapolation to a 1 m2 pilot-scale module reveals impacts higher than established PV technologies, prospective scenarios with realistic efficiencies (10%) and lifetimes (10–20 years) suggest values of ~150–500 g CO2-eq/kWh—comparable to fullerene OPVs and approaching perovskite and thin-film benchmarks. These findings underscore the value of early-stage LCA in identifying asymmetrical hotspots, informing material and process optimization, and supporting the sustainable scale-up of next-generation OPVs.