标题： 熵和载流子离域在给体-受体界面电荷转移激子解离中的综合影响 显示英文标题

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

摘要： 几种电荷转移激子（CTE）模型已被提出以解释其在给体-受体（DA）界面的解离。 然而，其基本物理机制仍存在争议。 在此，我们推导了电子-空穴对在DA界面处的温度 ($T$)-依赖紧束缚模型。 主要发现是在临界 $T$处存在局域化-非局域化转变，这可以解释CTE的解离。 本研究强调了熵（有限-$T$）和载流子非局域化在CTE解离中的综合作用。 显示英文摘要

摘要： 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.