Geminate recombination in organic photovoltaic blend PCDTBT/PC71BM studied by out-of-phase electron spin echo spectroscopy

E A Beletskaya; E A Lukina; M N Uvarov; A A Popov; L V Kulik

doi:10.1063/1.5131855

Geminate recombination in organic photovoltaic blend PCDTBT/PC₇₁BM studied by out-of-phase electron spin echo spectroscopy

J Chem Phys. 2020 Jan 31;152(4):044706. doi: 10.1063/1.5131855.

Authors

E A Beletskaya¹, E A Lukina¹, M N Uvarov¹, A A Popov¹, L V Kulik¹

Affiliation

¹ Voevodsky Institute of Chemical Kinetics and Combustion SB RAS, Institutskaya Str. 3, 630090 Novosibirsk, Russia.

PMID: 32007084
DOI: 10.1063/1.5131855

Abstract

The key process in organic solar cell operation is charge separation under light illumination. Due to the low dielectric constant of organic materials, the Coulomb attraction energy within the interfacial charge-transfer state (CTS) is larger than the thermal energy. Understanding the mechanism of charge separation at the organic donor/acceptor interface still remains a challenge and requires knowledge of the CTS temporal evolution. To address this problem, the CTS in the benchmark photovoltaic blend PCDTBT/PC₇₁BM was studied by the out-of-phase Electron Spin Echo (ESE). The protocol for determining the CTS geminate recombination rate for certain electron-hole distances was developed. Simulating the out-of-phase ESE trace for the CTS in the PCDTBT/PC₇₁BM blend allows precise determination of the electron-hole distance distribution function and its evolution with the increase in the delay after the laser flash. Distances of charge separation up to 6 nm were detected upon thermalization at a temperature of 20 K. Assuming the exponential decay of the recombination rate, the attenuation factor β = 0.08 Å^-1 is estimated for the PCDTBT/PC₇₁BM blend. Such a low attenuation factor is probably caused by a high degree of hole delocalization along the PCDTBT chain.