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

TL;DR

This paper develops a temperature-dependent tight-binding model revealing a localization-delocalization transition that explains charge transfer exciton dissociation at donor-acceptor interfaces, emphasizing the roles of entropy and carrier delocalization.

Contribution

It introduces a novel temperature-dependent model that combines entropy and delocalization effects to explain CTE dissociation at DA interfaces.

Findings

Identification of a critical temperature for localization-delocalization transition.

Explanation of CTE dissociation through combined entropy and delocalization effects.

Highlights the importance of temperature in charge transfer processes.

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.