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

Aliah El Astal-Quirós, Valentina Carrarini, Francesca Zarotti, Atiq Ur Rahman, Agustí Lledós, Cristina G. Yebra, Ernesto de Jesús and Andrea Reale ()
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Aliah El Astal-Quirós: CHOSE (Centre for Hybrid and Organic Solar Energy), Department of Electronic Engineering, University Rome Tor Vergata, Via del Politecnico 1, 00133 Rome, Italy
Valentina Carrarini: CHOSE (Centre for Hybrid and Organic Solar Energy), Department of Electronic Engineering, University Rome Tor Vergata, Via del Politecnico 1, 00133 Rome, Italy
Francesca Zarotti: CHOSE (Centre for Hybrid and Organic Solar Energy), Department of Electronic Engineering, University Rome Tor Vergata, Via del Politecnico 1, 00133 Rome, Italy
Atiq Ur Rahman: CHOSE (Centre for Hybrid and Organic Solar Energy), Department of Electronic Engineering, University Rome Tor Vergata, Via del Politecnico 1, 00133 Rome, Italy
Agustí Lledós: Department de Química, Universitat Autònoma de Barcelona, 08193 Barcelona, Spain
Cristina G. Yebra: Departamento de Química Orgánica y Química Inorgánica, Instituto de Investigación Química “Andrés M. del Rio”, Universidad de Alcalá, Campus Universitario, 28805 Alcala de Henares, Spain
Ernesto de Jesús: Departamento de Química Orgánica y Química Inorgánica, Instituto de Investigación Química “Andrés M. del Rio”, Universidad de Alcalá, Campus Universitario, 28805 Alcala de Henares, Spain
Andrea Reale: CHOSE (Centre for Hybrid and Organic Solar Energy), Department of Electronic Engineering, University Rome Tor Vergata, Via del Politecnico 1, 00133 Rome, Italy

Energies, 2024, vol. 17, issue 15, 1-19

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/PC 60 BM) is explored. In this work, it is demonstrated that the role of the bis-[1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene]palladium(I) hexafluoridophosphate dopant, [Pd(IPr Cl ) 2 ][PF 6 ], is crucial because the presence of a stable unpaired electron in the molecule significantly improves the optoelectronic performance of the device. We f the optimal concentration of this molecule in the active layer and demonstrate 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 in photocurrent generation due to more favorable 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 improvement; morphology; stability (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2024
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