Intermixing at the Pentacene‐Fullerene Bilayer Interface: A Molecular Dynamics Study

Molecular dynamics simulations of the pentacene-C60 donor–acceptor interface reveal the potential for miscibility and disorder in “simple” bilayer organic photovoltaic architectures. The results fall in line with growing evidence of morphological complexity at such interfaces, and will impact descriptions of the electronic processes taking place during the photovoltaic effect.