Insight into the impact of the substituent modification on the photovoltaic performance of ferrocenyl chalcones based DSSCs

Anizaim, Ainizatul Husna; Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Arshad, Suhana

doi:10.1016/j.jssc.2021.122551

Cited by 13 publications

(41 citation statements)

References 46 publications

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“…The fluorine atom is more negative than chlorine [19]. A compound with a higher electronegativity increases the ability of electron transfer within the molecule [20][21][22], thus influencing the low gap between HOMO and LUMO energy levels [10]. From this perspective, we successfully proved that CH-FF, with the substitution of -fluoro on both aromatic rings of the chalcone derivative, contributed to a higher DSSC efficiency than CH-ClF.…”

Section: Introductionmentioning

confidence: 72%

“…The signal observed at δ196.27 ppm and δ198.71 ppm in the 13 C NMR spectrum appeared at the most deshielded area, assigned to the C7 atom of the carbonyl group of both CH-ClF and CH-FF. The factor environment and rise of electronegativity from the oxygen atom caused the deshielded area of carbonyl groups compared to other carbon atoms [10]. The chemical shift of aromatic carbons of the phenyl rings was found between 138.5 and 125.0 ppm for both compounds.…”

Section: Nuclear Magnetic Resonance (Nmr) Analysismentioning

confidence: 92%

“…The preparation of DSSCs was conducted following the previous fabrication method [9,10]. A full set of DSSC kits was purchased from Solaronix for the fabrication process.…”

Section: Dye-synthesized Solar Cell (Dssc) Fabricationmentioning

confidence: 99%

“…In the working principle of DSSC, an appropriate energy level is required for deployment as a sensitizer to ensure the occurrence of the electron injection and dye regeneration processes [47]. Figure 8 represents the HOMO energy levels of both compounds, which were lower than the redox potential of I − /I − 3 (−4.8 eV), indicating the ability of the oxidized dye to be restored by obtaining electrons from the electrolyte [10]. Likewise, the higher LUMO energy levels compared to the TiO 2 conduction band energy level (−4.0 eV) of CH-ClF and CH-FF suggested the presence of electron injection from the dye to the semiconductor substrate [10].…”

Section: Ultraviolet-visible (Uv-vis) and Frontier Molecular Orbital ...mentioning

confidence: 99%

“…Many researchers have employed chalcone derivatives as sensitizers [9][10][11][12][13][14] due to their properties and performance. The ability of various substituents to be anchored at different positions in chalcone derivatives enables studies on their light harvesting potential for DSSC applications [15].…”

Section: Introductionmentioning

confidence: 99%

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The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents

et al. 2021

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Two newly halogenated chalcones, derivatives of C15H10ClFO (CH-ClF) and C15H10F2O (CH-FF), were synthesized using the Claisen–Schmidt condensation method. Both compounds were crystallized using a slow evaporation method, forming a monoclinic crystal system with a space group of P21 and P21/c, respectively. The compounds were further analyzed using spectroscopic techniques such as Fourier Transform Infrared (FTIR), Nuclear Magnetic Resonance (NMR), and Ultraviolet–Visible (UV–vis) analyses. The single crystal X-ray diffraction method revealed the existence of C−H⋯O and C−H⋯F intermolecular interactions in CH-FF. Hirshfeld surface analysis was performed to confirm the existence of intermolecular interactions in the compounds. The molecular geometries obtained from the X-ray structure determination were further used to optimize the structures using density functional theory (DFT), with the B3LYP/6-311G++(d,p) basis set in the ground state. The TD-DFT/B3LYP method was used to obtain the electronic properties and the HOMO–LUMO energy gap. Both compounds exhibited A-π-A architecture with different halogen substituents in which the CH-FF, containing -fluoro substituents, possessed good electron injection ability due to its electronegative properties. This increased the flow of the charge transfer for the dye regeneration process and enhanced the efficiency of the dye-sensitized solar cell (DSSC).

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Section: Introductionmentioning

confidence: 72%

Section: Nuclear Magnetic Resonance (Nmr) Analysismentioning

confidence: 92%

“…The preparation of DSSCs was conducted following the previous fabrication method [9,10]. A full set of DSSC kits was purchased from Solaronix for the fabrication process.…”

Section: Dye-synthesized Solar Cell (Dssc) Fabricationmentioning

confidence: 99%

Section: Ultraviolet-visible (Uv-vis) and Frontier Molecular Orbital ...mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents

et al. 2021

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New Silver(I) Complexes as Achromatic Sensitizers in Solar Cell Applications

Rajasagaran,

Redzuan,

Hamali

et al. 2024

Applied Organom Chemis

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The design, synthesis, and spectroscopic characterization of [Ag(P(o‐C6H4OCH3)3)(NO3)]2 (1) and [Ag(P(o‐C6H4OCH3)3)2][NO3] (2) were conducted to investigate the efficiency of the fabricated solar cell devices. The slow evaporation technique proved effective in growing the colorless crystals of the silver(I) complexes. Spectroscopic analyses including Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), and ultraviolet–visible (UV–Vis) studies were carried out to elucidate the chemical structure and absorption properties of the compounds. The chemical composition and existence of intermolecular interactions in 1 and 2 were disclosed via the single‐crystal x‐ray diffraction method. The side‐to‐side arrangement of molecules in 1 and 2 was evident from the crystal packing analysis, in which the molecules in both compounds were linked together by C–H···O and C–H···π contacts. The silver(I) complexes exhibited maximum absorption wavelength (287–288 nm) within the ultraviolet region, where both compounds had comparable high energy band gap values ranging from 4.15 to 4.16 eV. Moreover, both compounds possess appropriate HOMO–LUMO energy levels that facilitate effective electron injection and dye regeneration processes in dye‐sensitized solar cell (DSSC) applications. Photophysical characterization techniques, field‐emission scanning electron microscopy (FESEM), and energy‐dispersive x‐ray (EDX) spectroscopy studies were employed to assess the morphological characteristics and elemental composition of the silver(I) complexes on TiO2. Compound 2 exceeded 1 in terms of solar cell efficiency, 2 (η = 3.34%) > 1 (η = 0.66%) due to the complex being in ionic form and composed of the mononuclear [Ag(P(o‐C6H4OCH3)3)2]+ cation [NO3]− anion.

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Comprehensive study of solvent effects on optical characteristics for novel pyrene-based chalcone compound: (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(pyren-1-yl)prop-2-en-1-one

Alsaee

Mzwd

Bakar

et al. 2023

Optik

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Insight into the impact of the substituent modification on the photovoltaic performance of ferrocenyl chalcones based DSSCs

Cited by 13 publications

References 46 publications

The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents

The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents

New Silver(I) Complexes as Achromatic Sensitizers in Solar Cell Applications

Comprehensive study of solvent effects on optical characteristics for novel pyrene-based chalcone compound: (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(pyren-1-yl)prop-2-en-1-one

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