European Journal of Chemistry

Enhanced photoconversion efficiency in organic polymer solar cells: Synthesis, structural analysis and computational modelling of 4,8-dichlorobenzo[1,2-b]difuran-2,6-dicarboxylic acid-based composite

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Published: Jun 30, 2025
DOI: https://doi.org/10.5155/eurjchem.16.2.178-200.2627
Keywords:
LWFE, SWFE, Fill factor, Perovskite, 4,8-Dichlorobenzo[1,2-b]difuran-2,6-dicarboxylic acid
Section
Research Article
Issue
Vol. 16 No. 2 (2025): June 2025
Dates
Received 2025-01-03
Accepted 2025-04-09
Published 2025-06-30
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Main Article Content

Raman Ananthavalli
Department of Physics, Annamalai University, Annamalai Nagar-608002, Tamilnadu, India
https://orcid.org/0009-0000-3318-4895
Jagadeesan Karpagam
Department of Physics, Annamalai University, Annamalai Nagar-608002, Tamilnadu, India
https://orcid.org/0009-0001-4074-3891
Singaravelu Ramalingam
Department of Physics, Anbanathapuram Vagaiyara Charity College, Mannampandal-609305, Tamilnadu, India
https://orcid.org/0000-0002-1758-3930
Ramadoss Aarthi
Department of Physics, Arifa Institute of Technology, Tirukkuvalai-611103, Nagapattinam, Tamilnadu, India
https://orcid.org/0000-0002-5235-0884

Abstract

Improving the photoconversion efficiency (PCE) of organic polymer-based solar cells (SCs) is crucial to their competitiveness with conventional SCs. This study presents a novel approach to improve PCE of an organic composite solar cell incorporating 4,8-dichlorobenzo[1,2-b]difuran-2,6-dicarboxylic acid. The molecular composite was designed based on the photoactive donor-π-acceptor (D-π-A) architecture and computationally modeled to optimize its efficiency. The synthesized material was characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), and spectral analysis, confirming the formation of a perovskite lattice. Photovoltaic performance was evaluated using simulated device measurements, which produced a fill factor (FF) of 0.708, a short-circuit current density (JSC) of 12.8 mA/cm2, an open-circuit voltage (VOC) of 1.22 V, and an overall PCE of 12.78%. The active exciton diffusion path length was measured at < 9 Å, with a direct band gap of 2.05 eV. The stabilized Urbach energy of the material ranged from 110 to 220 meV. Furthermore, the active single-layer film was interfaced with both a small work function electrode (SWFE) and a long work function electrode (LWFE). The material exhibited high polarizability (αtot = 483.34×10-33 esu, Δα = 332.68×10-33 esu), indicating a strong potential for efficient photoconversion. This study demonstrates the feasibility of using 4,8-dichlorobenzo [1,2-b] difuran-2,6-dicarboxylic acid-based composite for high-performance organic solar cells, offering a promising alternative to conventional SCs.


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Ananthavalli, R.; Karpagam, J.; Ramalingam, S.; Aarthi, R. Enhanced Photoconversion Efficiency in Organic Polymer Solar Cells: Synthesis, Structural Analysis and Computational Modelling of 4,8-dichlorobenzo[1,2-b]difuran-2,6-Dicarboxylic Acid-Based Composite. Eur. J. Chem. 2025, 16, 178-200.

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