Ellagic acid/Fe nanocomposite thin film with high power conversion efficiency for photovoltaic devices

•Novel Ellagic acid/Fe nanocomposite boosts solar cell efficiency.•Enhanced charge transfer dynamics and stability in thin film.•DFT calculations show large energy gap of 1.08 eV.•Organic compounds and metal nanoparticles promise efficient photovoltaics.•Analysis highlights improved thermal stabilit...

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Bibliographic Details
Published in:Journal of molecular structure 2025-02, Vol.1322, p.140594, Article 140594
Main Authors: Almutlaq, N., Attar, Alaa, Zoromba, M.Sh, Abdel-Aziz, M.H., Al-Hossainy, A.F.
Format: Article
Language:English
Subjects:
Ellagic acid
Metal-organic composites
Nanocomposite
Photovoltaic devices
Power conversion efficiency
Thin film
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Summary:•Novel Ellagic acid/Fe nanocomposite boosts solar cell efficiency.•Enhanced charge transfer dynamics and stability in thin film.•DFT calculations show large energy gap of 1.08 eV.•Organic compounds and metal nanoparticles promise efficient photovoltaics.•Analysis highlights improved thermal stability and optical properties. This study synthesizes and characterizes an ellagic acid/Fe nanocomposite thin film ([Ellag-A/Fe·6H2O]NCTF) to enhance photovoltaic device efficiency, achieving a notable power conversion efficiency of 14.5 %. Using FT-IR, TGA, XRD, SEM, and optical analyses, the nanocomposite's structural, thermal, and optical properties were investigated, revealing a polycrystalline structure with improved thermal stability over pure ellagic acid. Density Functional Theory (DFT) calculations show a large energy gap of 1.08 eV, indicating stability and high excitation energies. The combination of organic ellagic acid with iron nanoparticles makes ([Ellag-A/Fe·6H2O]NCTF a promising material for photovoltaic applications.
ISSN:0022-2860
DOI:10.1016/j.molstruc.2024.140594