| Autor: |
Ahmad, Aftab, Jaffri, Nasif Raza, Abrar, Usama |
| Předmět: |
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| Zdroj: |
Mehran University Research Journal of Engineering & Technology; Oct2021, Vol. 40 Issue 4, p874-882, 9p |
| Abstrakt: |
This study aims to propose organic materials for the development of light-emitting semiconductor diodes for colored displays. Studies show that these materials are capable of creating a variety of different colors rather than white light. But of Organic Light-Emitting Diodes (OLEDs) are only used as a source of white back-light for OLED displays and liquid crystals are used for color generation. This work suggests that OLEDs can be used to make color displays on their own without the help of Liquid Crystals (LCs). Recently, organic devices are widely under discussion as are comparatively cheap, can be processed economically and effortlessly at ambient temperature besides their effortless handling. The calculation of the electronic properties of molecular species was achieved by the use of ab-initio quantum mechanical methods, i.e., Density Functional Theory (DFT). DFT methods are suited to calculate the electronics properties of the organic molecules, enabling the determination of band gaps and quantum efficiencies. DFT views electron stochastic nature and thus calculates the material’s solid-state properties. DFT calculations on isolated molecules were carried by the Gaussian software package to predict electronic properties. Pentacene is used as test molecule in this work. B3LYP functional use Kohn-Sham orbitals to predict the band energy values said material rather than LDA functional that depends on the value of electronic density at each point on the space. The substitution process was used to make changes in bandgaps; which affect shades of light emitted by OLEDs. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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