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Disentangling Overlapping High-Field EPR Spectra of Organic Radicals: Identification of Light-Induced Polarons in the Record Fullerene-Free Solar Cell Blend PBDB-T:ITIC

Disentangling Overlapping High-Field EPR Spectra of Organic Radicals: Identification of Light-Induced Polarons in the Record Fullerene-Free Solar Cell Blend PBDB-T:ITIC

Melissa Van Landeghem, Wouter Maes, Etienne Goovaerts, Sabine Van Doorslaer

J Magn Reson. 2018 Mar;288:1-10.

PMID: 29367021

Abstract:

We present a combined high-field EPR and DFT study of light-induced radicals in the bulk heterojunction blend of PBDB-T:ITIC, currently one of the highest efficiency non-fullerene donor:acceptor combinations in organic photovoltaics. We demonstrate two different approaches for disentangling the strongly overlapping high-field EPR spectra of the positive and negative polarons after charge separation: (1) relaxation-filtered field-swept EPR based on the difference in T1 spin-relaxation times and (2) field-swept EDNMR-induced EPR by exploiting the presence of 14N hyperfine couplings in only one of the radical species, the small molecule acceptor radical. The approach is validated by light-induced EPR spectra on related blends and the spectral assignment is underpinned by DFT computations. The broader applicability of the spectral disentangling methods is discussed.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP1415929804	PBDB-T		1415929-80-4	Price

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