Minimal requirements for one-dimensional aggregation in simple coarse-grained models of charged porphyrinoid units

Key Points

• This research aims to understand the conditions necessary for the aggregation of charged porphyrinoid units into stable structures.
• Conducted Monte Carlo simulations to model coarse-grained porphyrinoid interactions.
• Analyzed how variations in electrostatic and cohesive forces affect aggregation.
• Investigated the stability of supramolecular nanowires formed.
• Identified a critical balance between electrostatic interactions and cohesive forces needed for aggregation.
• Demonstrated that porphyrin-like units can form stable nanowires under optimal conditions.