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Computational Study to Determine the Band Gap of Organic Fluorophores
Poster   Open access

Computational Study to Determine the Band Gap of Organic Fluorophores

Arav Jain
University of West Florida Libraries
Summer Undergraduate Research Program (University of West Florida, Pensacola, Florida, 08/2024)
08/2024

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Abstract

Studying the energy of a band gap in molecules has valuable applications in semiconductor physics. The energy of a band gap refers to the energy difference between the Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) or the top of the valence band and the bottom of the conduction band. A lower band gap energy corresponds to higher efficiency or lower wavelength. Studying the conductivity of organic molecules is a very useful field since organic compounds are more versatile and cheaper to produce than regular silicon semiconductors. This has a wide array of applications, especially in LEDs and micro processing units.
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