Molecular Design of A−D−A Electron Acceptors Towards Low Energy Loss for Organic Solar Cells

Low energy loss is a prerequisite for organic solar cells to achieve high photovoltaic efficiency. Electron-vibration coupling (i. e., intramolecular reorganization energy) plays a crucial role in the photoelectrical conversion and energy loss processes. In this Concept article, we summarize our recent theoretical advances on revealing the energy loss mechanisms at the molecular level of A-D-A electron acceptors. We underline the importance of electron-vibration couplings on reducing the energy loss and describe the effective molecular design strategies towards low energy loss through decreasing the electron-vibration couplings.