Synthesis and experimental investigations of organic perovskite solar cell material; 2, 5-bis(5-aminofuran-2-yl) thiophene 1, 1-dioxide; photo-voltaic data validation using computational model and spectroscopic tools. (June 2023)

• Record Type: Journal Article
• Authors: Ananthavalli, R.; Karpagam, J.; Ramalingam, S.; Aarthi, R.; Elanchezhian, B.
• Is Part Of: Journal of physics and chemistry of solids. Volume 177(2023)
• Publication Date: 2023-06
• Subjects: 2, 5-bis(5-aminofuran-2-yl) thiophene 1, 1-dioxide -- Photovoltaic -- Perovskite -- Fill factor -- CT exciton; Solids -- Periodicals; Solides -- Périodiques; Solids; Periodicals; 530.41
• DOI: 10.1016/j.jpcs.2023.111271
• Languages: English
• ISSNs: 0022-3697

Abstract

Abstract: The Doped crystal architectures based on the Perovskite structure are most promising for creating photovoltaic solar cells. In recent years, much research effort has been directed towards increasing the solar power conversion efficiency of organic crystal materials. The ultimate challenge is to improve the light-harvesting power gain in organic synthetic materials and it was proved from the attainment of the Birefringence (Δn) Kλ/t −1.98. In this context, we report herein fabrication of organic 2, 5-bis(5-aminofuran-2-yl) thiophene 1, 1-dioxide as a perovskite-like lattice in the form of molecular clusters. Its photo-conversion efficiency was calculated as 18%. Its short-circuit current density was determined as JSC = 0.91 mA/cm 2, with open-circuit voltage VOC of 1.05 V. The charge transfer (CT) exciton binding energy variation of dielectric constant of the material medium has been calculated. The diffusion path length was defined as <10 Å and the direct band gap was measured as 2.15 eV. The Urbach energy of the prepared sample was estimated as 110–220 meV. The molecular mechanism of exciton productions in the photo-voltaic process has been probed through the use of computational software and experimental tools. The light harvesting ability has been assessed in terms of morphological, optical and electro-optical properties. To characterize weak interactions between the organic molecular sites, vibrational studies have been carried out on polar and nonpolar bonds. The production of Frenkel excitons at the HOMO-LUMO interface and the binding energy variation for electron-hole dissociation has been estimated from the Coulomb capture radius. The photo-energy conversion efficiency and fill factor (FF = 0.511) have been estimated to prove the efficiency of the cell. Graphical abstract: Image 1 Highlights: Single layer organic solar cell is fabricated; 2, 5-bis(5-aminofuran-2-yl) thiophene 1, 1-dioxide. Morphological and computational model is framed for estimating Photovoltaic conversion efficiency. The JSC and VOC are calculated and thereby fill factor is measured. Frenkel exciton binding energy is estimated and data is validated from the calculation.