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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Computational Design of Advanced π-Conjugated Materials for Next-Generation OLEDs

Computational Design of Advanced π-Conjugated Materials for Next-Generation OLEDs

Raftani, Marzouk

Paperback

Chemistry

ISBN10: 9999341926
ISBN13: 9789999341929
Publisher: Eliva Press
Published: Jul 21 2026
Pages: 94
Weight: 0.30
Height: 0.19 Width: 6.00 Depth: 9.00
Language: English
This manuscript presents a theoretical study of novel organic materials based on phenyl, pyrrole, and other π-conjugated derivatives. Our focus was on the key geometric, optoelectronic, and spectroscopic properties of these molecules, examined through quantum chemistry methods. Specifically, we performed a detailed analysis of these organic materials using various quantum chemical approaches, including Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT). Furthermore, we conducted a structure-property correlation analysis to identify and analyze the optoelectronic characteristics of the candidates, achieving accurate predictions of their emission and absorption spectra. Based on these findings, we propose these materials for optoelectronic applications. These organic materials show promising potential for the development of advanced light-emitting devices, positioning them as prospective materials in the field of organic light-emitting diodes (OLEDs).

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