Impact of quantized vibrations on the efficiency of interfacial charge separation in photovoltaic devices

We demonstrate that charge separation at donor-acceptor interfaces is a complex process that is controlled by the combined action of Coulomb binding for electron-hole pairs and partial relaxation due to quantized phonons. A joint electron-vibration quantum dynamical study reveals that high-energy vibrations sensitively tune the charge transfer probability as a function of time and injection energy, due to polaron formation. These results have bearings on the optimization of energy transfer both in organic and quantum dot photovoltaics, as well as in biological light harvesting complexes.