Fano resonance and incoherent interlayer excitons in molecular van der Waals heterostructures

TL;DR

This paper explores the optoelectronic properties of molecular van der Waals heterostructures, revealing tunable Fano resonances and incoherent interlayer excitons that could enable advanced optical and charge transfer functionalities.

Contribution

It introduces a combined theoretical approach to study Fano resonances and interlayer excitons in hybrid organic-inorganic 2D heterostructures, highlighting their potential for optoelectronic applications.

Findings

Fano resonances cause electromagnetic induced opacity and transparency.

An incoherent process leads to interlayer exciton formation with a specific charge transfer rate.

Hybrid heterostructures exhibit tunable Fano optics and unconventional charge transfer channels.

Abstract

Complex van der Waals heterostructures from layered molecular stacks are promising optoelectronic materials offering means to efficient, modular charge separation and collection layers. The effect of stacking in the electrodynamics of such hybrid organic-inorganic two-dimensional materials remains largely unexplored, whereby molecular scale engineering could lead to advanced optical phenomena. For instance, tunable Fano engineering could make possible on-demand transparent conducting layers or photoactive elements, and passive cooling. We employ an adapted Gersten-Nitzan model and real time time-dependent density functional tight-binding to study the optoelectronics of self-assembled monolayers on graphene nanoribbons. We find Fano resonances that cause electromagnetic induced opacity and transparency, and reveal an additional incoherent process leading to interlayer exciton formation with a characteristic charge transfer rate. These results showcase hybrid van der Waals heterostructures as paradigmatic 2D optoelectronic stacks, featuring tunable Fano optics and unconventional charge transfer channels.