Combining density functional theory calculations and molecular dynamics simulations, we drew a comprehensive picture that describes how the morphological and electronic properties of PM6:Y6 blends evolve as a function of 1-CN concentration.
Non-halogenated solvent additive DMN induces nucleation and crystal growth of Y6 molecules twice during the LBL blade-coating process, promoting the crystallization and nanoscale phase separation and leading to enhanced PCE of LBL blade-coated OSCs.
This work gives a comprehensive description of the fundamental electronic processes taking place in the active layer of PM6:Y6 solar cells. It also points to the role of triplet states, excimer-like states, and defect states in device performance.
In this article, we investigated the local morphology of PM6/Y6 thin films dependent on the solvent-treatment approach and calculate the charge-transfer, hole-transfer, and electron-transfer rates.
A stereoisomeric small-molecule acceptor, cis-ID-IC-OR, was incorporated into a PM6:Y6 system, forming ternary blend organic photovoltaics with enhanced crystallinity, charge transport and power conversion efficiency of 17.1%.