Exploring the Role of Central Metals in Bulky Phthalocyanines for Dye‐Sensitized Solar Cells

Author:

López‐Duarte Ismael12,Kawata Takahiro3,Urbani Maxence4,Dreano Melanie1,Kimura Mutsumi3,Martínez‐Díaz M. Victoria15,Torres Tomás145

Affiliation:

1. Departamento de Química Orgánica Facultad de Ciencias Universidad Autónoma de Madrid Cantoblanco 28049 Madrid Spain

2. Departamento de Química en Ciencias Farmacéuticas Facultad de Farmacia Universidad Complutense de Madrid Ciudad Universitaria 28040 Madrid Spain

3. Division of Chemistry and Materials Faculty of Textile Science and Technology Shinshu University Ueda 386-8567 Japan

4. IMDEA-Nanociencia, Campus de Cantoblanco 28049 Madrid Spain

5. Institute for Advanced Research in Chemical Sciences (IAdChem) Universidad Autónoma de Madrid Cantoblanco 28049 Madrid Spain

Abstract

AbstractTwo series of metallo‐(Zn(II), Mg(II), and Ru(II)) and free‐base phthalocyanines (Pcs) with a carboxyl anchoring group and well‐established bulky peripheral substituents (either tert‐butyl or bulky 2,6‐diisopropylphenoxy) were synthesized and tested as sensitizers in dye‐sensitized solar cells (DSSCs). The trend of photovoltaic efficiencies (PCEs) for free‐base and metallo Pcs followed the order Zn(II)Pc>Mg(II)Pc≫H2Pc ≈ Ru(II)Pc regardless of the peripheral substitution. Higher efficiencies (4.95 versus 3.63 for the Zn(II) derivatives) were achieved with Pcs bearing the bulkier 2,6‐diisopropylphenoxy group, indicating a lower aggregation and more suitable HOMO‐LUMO levels. Furthermore, these derivatives showed a morelevant influence of the metal on the PCE values (from the highest 4.95 for the Zn(II)Pc to the lowest 0.23 for the Ru(II)Pc. In both series, the best PCEs observed with the Zn(II) derivatives were mainly due to their highest Jsc values. The lowest efficiencies found for the free‐bases and Ru(II) derivatives were attributed to a mismatch between their LUMO levels and the conduction band of the TiO2,and lower light‐harvesting capabilities, respectively. In conclusion, Zn(II) derivatives are still the best Pc candidates to use as sensitizers in molecular photovoltaics.

Publisher

Wiley

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