The effects of dispersion forces on the structure and charge separation (CS) in the P3HT/PCBM dimer were studied using state-of-the-art computational methods in ADF (DFT-D3, TDDFT–CAMYB3LYP). The authors demonstrate the importance to properly account for...
Photoinduced Charge Separation in Organic Photovoltaics strongly influenced by dispersion forces
20 March 2018