Preprint Article Version 1 This version is not peer-reviewed

A Doublet State palladium(I) N-heterocyclic Carbene Complex as a Dopant and Stabilizer for Improved Photostability in Organic Solar Cells

Version 1 : Received: 12 July 2024 / Approved: 15 July 2024 / Online: 17 July 2024 (04:25:10 CEST)

How to cite: El Astal-Quirós, A.; Carrarini, V.; Zarotti, F.; Rahman, A. U.; Lledós, A.; Yebra, C. G.; de Jesús, E.; Reale, A. A Doublet State palladium(I) N-heterocyclic Carbene Complex as a Dopant and Stabilizer for Improved Photostability in Organic Solar Cells. Preprints 2024, 2024071253. https://doi.org/10.20944/preprints202407.1253.v1 El Astal-Quirós, A.; Carrarini, V.; Zarotti, F.; Rahman, A. U.; Lledós, A.; Yebra, C. G.; de Jesús, E.; Reale, A. A Doublet State palladium(I) N-heterocyclic Carbene Complex as a Dopant and Stabilizer for Improved Photostability in Organic Solar Cells. Preprints 2024, 2024071253. https://doi.org/10.20944/preprints202407.1253.v1

Abstract

The effect of doublet state metalloradical complex in a solar cell inside the common active layer poly(3-hexylthiophene)/ [6,6]-phenyl-C61-butyric acid methyl ester (P3HT/PC60BM) is explored. In this work is demonstrated that the role of the Bis-[1,3-Bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene]palladium(I) hexafluoridophosphate dopant, [Pd(IPrCl)2][PF6], is crucial because, by having a stable unpaired electron in the molecule, it significantly improves the optoelectronic performance of the devices. We found the optimal concentration of this molecule in the active layer, and we demonstrated that the presence of this additive in the active layer helps to significantly improve the morphology of the device. The improvements in optoelectronic and morphological parameters are associated with a remarkable increase of photocurrent generation due to more favourable mechanisms of charge separation at the donor/acceptor (D/A) interfaces of the active layer and reduced recombinations. Moreover, the presence of this additive improves the stability of the unencapsulated solar cell against photochemical degradation produced by sunlight.

Keywords

inverted organic solar cells; dopant; organometallic molecule; palladium; optoelectronic improvment; morphology; stability

Subject

Engineering, Electrical and Electronic Engineering

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