Combined impact of entropy and carrier delocalization on charge transfer exciton dissociation at the donor-acceptor interface

Abstract

Several models of the charge transfer exciton (CTE) have been proposed to explain its dissociation at the donor-acceptor (DA) interface. However, the underlying physics is still under debate. Here, we derive temperature ($T$)-dependent tight-binding model for an electron-hole pair at the DA interface. The main finding is the existence of the localization-delocalization transition at a critical $T$, which can explain the CTE dissociation. The present study highlights the combined effect of entropy (finite-$T$) and carrier delocalization in the CTE dissociation.

arXiv commentin Phys. Rev. B (2016)

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Cited by in corpus (1)

• Origin of Charge Separation at Organic Photovoltaic Heterojunctions: A Mesoscale Quantum Mechanical View