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The charge photogeneration process in organic molecules is investigated by aquantum heat engine model, in which two molecules are modeled by a two-spinsystem sandwiched between two bosonic baths at their own temperatures. The twobaths represent the photon emission source and the phonon environment,respectively. We utilize the time-dependent density matrix renormalizationgroup algorithm to investigate the ultrafast quantum thermodynamical processesof the model. We find that the transient energy flow through the two spinsbehaves a two-stage effect: The first stage shows a coherent dynamics whichrepresents the ultrafast delocalization and dissociation of the charge-transferstate, and in the second stage a steady current is establish. Thephoto-to-charge conversion is highly efficient with the maximum efficiencybeing $93\%$ with optimized model parameters. The survival entanglement betweenthe two spins is found to be mostly responsible for the hyper efficiency.

A spin-boson theory for charge photogeneration in organic molecules: Role of quantum coherence