Harnessingπ-conjugated polyaromatic chalcone derivative for dye-sensitized solar cell

Area of Science:

• Materials Science
• Organic Chemistry
• Photovoltaics

Background:

• Chalcone derivatives are explored for their optoelectronic properties.
• Dye-sensitized solar cells (DSSCs) require efficient organic dye sensitizers.
• Phenanthrene and pyrene moieties offer unique electronic and structural characteristics.

Purpose of the Study:

• To design and synthesize a novel phenanthrenyl-pyrenyl chalcone (PPC) dye.
• To characterize the molecular structure and intermolecular interactions of PPC.
• To evaluate the potential of PPC as a dye sensitizer for DSSC applications.

Main Methods:

• Claisen-Schmidt condensation for synthesis.
• Single-crystal X-ray diffraction for structural analysis.
• Hirshfeld surface analysis and 2D fingerprint plots for interaction assessment.

Main Results:

• Successful synthesis and structural confirmation of PPC.
• Identification of stabilizing intermolecular C-H···O hydrogen bonds and π-π interactions.
• Determination of a narrow energy gap of 2.77 eV, indicating tunable charge transfer and optical absorption.

Conclusions:

• The synthesized PPC dye exhibits favorable structural and electronic properties.
• Intermolecular interactions significantly stabilize the PPC molecular framework.
• PPC shows promise as a potential dye sensitizer for DSSC applications, meriting further photovoltaic performance evaluation.