Molecular dynamics simulation of bulk heterojunction morphologies | Semin. GFMM

Optimizing the morphological properties of bulk heterojunctions is crucial for improving the efficiency of organic solar cells (OSCs). Recent advances in OSCs have been related to the development of materials that optimize both electronic and morphological properties. In this seminar, I present our recent efforts in developing an automated protocol to generate experimentally-based morphologies of bulk heterojunctions that characterize the active layers of these devices. Critical steps of our methodology such as force field parameterization and the solvent evaporation process will be discussed.

 

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