ABSTRACT
In this chapter, we describe at the quantum-chemical level, the main parameters governing the exciton-dissociation and charge-recombination processes that determine the efficiency of organic photovoltaic materials. We take as example a blend made of phthalocyanine as the electron donor and perylene bisimide as the acceptor. On the basis of the theoretical results, various strategies are discussed in order to increase the number of generated charge carriers in organic blends.
