Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

The Y6 molecule is one of the most promising non-fullerene acceptors. Based on first-principles calculations, this paper analyzes how the separation of an electronic excitation into electron and hole densities is influenced by the interaction between different Y6 molecules. By calculating the optical and the fundamental gaps of ensembles of Y6 molecules that realistically represent […]