Impact of quantized vibrations on the efficiency of interfacial charge separation in photovoltaic devices

TL;DR

This paper investigates how quantized vibrations influence charge separation efficiency at donor-acceptor interfaces in photovoltaic devices, highlighting the role of electron-phonon interactions and polaron formation in energy transfer processes.

Contribution

It introduces a joint electron-vibration quantum dynamical approach to understand the impact of high-energy vibrations on charge transfer, advancing the understanding of energy transfer mechanisms in photovoltaics.

Findings

High energy vibrations modulate charge transfer probability over time.

Polaron formation significantly influences charge separation efficiency.

Vibrational effects are crucial for optimizing photovoltaic device performance.

Abstract

We demonstrate that charge separation at donor-acceptor interfaces is a complex process that is controlled by the combined action of Coulomb binding for electron-hole pairs and partial relaxation due to quantized phonons. A joint electron-vibration quantum dynamical study reveals that high energy vibrations sensitively tune the charge transfer probability as a function of time and injection energy, due to polaron formation. These results have bearings for the optimization of energy transfer both in organic and quantum dot photovoltaics, as well as in biological light harvesting complexes.