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Non-equilibrium transport properties and energy conversion performance of amolecular photo-voltaic cell are analyzed using the Lindblad master equationwithin the open quantum systems approach. The method allows us to calculate thedynamics of a system driven by several non-equilibrium sources (a situation wecall "strong non-equilibrium"), which is the natural operating condition ofphotovoltaic cells. We include both coherent and incoherent processes and treatelectrons, photon, and phonons on an equal footing. We find that decoherenceplays a crucial role in determining both the overall efficiency of thephotovoltaic conversion and the optimal energy configuration of the system.Specifically, decoherence leads to better performance, due to a fasterrelaxation of the excited electrons to the electrodes. We also examine theeffect of coherent interference on the efficiency. The approach we propose inthis letter is suitable for studying transport and energy conversion in othernanoscale systems at non-equilibrium, where both coherent and incoherentprocesses take place.

The Molecular Photo-Cell: Quantum Transport and Energy Conversion at Strong Non-Equilibrium