Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules

MUSTAFA ELIK (Sivas Cumhuriyet Üniversitesi, Eğitim Fakültesi, Matematik ve Fen Bilimleri Eğitimi Bölümü, Sivas, Türkiye)
Cumhuriyet Science Journal
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Yıl: 2023 Cilt: 44 Sayı: 2 Sayfa Aralığı: 296 - 301 Metin Dili: İngilizce DOI: 10.17776/csj.1252908 İndeks Tarihi: 12-07-2023

Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules

Öz:
High-performance organic-light emitting diode (OLED) display panels have been very popular lately due to their many advantages compared to liquid-crystal display (LCD) and light-emitting diode (LED) panels. It is also well known that the materials used in OLED panels are important in determining OLED performance. Starting with the selection of materials which have rich π-electrons will be a good start for the design of high-performance OLED materials. For this aim, the OLED properties of some cyclic aromatic structures with rich π-electrons such as 2,2ꞌ-bi-1,6-naphthyridine (BNP), 1,6-bis(4ꞌ-pyridine)-2,5-diazahexane (BPDH), 3,3ꞌ-bis[3-(2-pyridyl)pyrazol-1-yl]biphenyl (BPPB), 5,5ꞌ-dicyano-2,2ꞌ-bipyridine (DCBP), 2,2ꞌ-dimethyl-4,4ꞌ-bipyrimidine (DMBP), and 4ꞌ-phenyl-2,2ꞌ:6ꞌ2ꞌꞌterpyridine (Ph-TERPY) were theoretically analyzed using computational chemistry tools. The calculations of monomeric and dimeric structures of mentioned molecules were carried out at B3LYP/6-31G(d) and B3LYP/TZP levels, respectively. The OLED properties of the investigated compound were explained by means of OLED parameters such as the reorganization energies, adiabatic-vertical ionization potentials and adiabatic-vertical electron affinities, the effective transfer integrals, and the charge transfer ratios. In the light of computational chemistry, it is indicated that these studied molecules will be utilized in which layers of OLED device. In addition to OLED analysis, in the light of the calculated reactivity descriptors, the chemical reactivities of the studied molecules were discussed.
Anahtar Kelime: Compounds with rich π-electrons Reorganization energies Marcus theory Charge transfer rate

Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık
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APA ELIK M (2023). Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. , 296 - 301. 10.17776/csj.1252908
Chicago ELIK MUSTAFA Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. (2023): 296 - 301. 10.17776/csj.1252908
MLA ELIK MUSTAFA Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. , 2023, ss.296 - 301. 10.17776/csj.1252908
AMA ELIK M Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. . 2023; 296 - 301. 10.17776/csj.1252908
Vancouver ELIK M Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. . 2023; 296 - 301. 10.17776/csj.1252908
IEEE ELIK M "Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules." , ss.296 - 301, 2023. 10.17776/csj.1252908
ISNAD ELIK, MUSTAFA. "Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules". (2023), 296-301. https://doi.org/10.17776/csj.1252908
APA ELIK M (2023). Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. Cumhuriyet Science Journal, 44(2), 296 - 301. 10.17776/csj.1252908
Chicago ELIK MUSTAFA Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. Cumhuriyet Science Journal 44, no.2 (2023): 296 - 301. 10.17776/csj.1252908
MLA ELIK MUSTAFA Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. Cumhuriyet Science Journal, vol.44, no.2, 2023, ss.296 - 301. 10.17776/csj.1252908
AMA ELIK M Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. Cumhuriyet Science Journal. 2023; 44(2): 296 - 301. 10.17776/csj.1252908
Vancouver ELIK M Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules. Cumhuriyet Science Journal. 2023; 44(2): 296 - 301. 10.17776/csj.1252908
IEEE ELIK M "Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules." Cumhuriyet Science Journal, 44, ss.296 - 301, 2023. 10.17776/csj.1252908
ISNAD ELIK, MUSTAFA. "Chemical Reactivities and Organic Light-emitting Diode Properties of some Polyaromatic Molecules". Cumhuriyet Science Journal 44/2 (2023), 296-301. https://doi.org/10.17776/csj.1252908
Sayfa Oluşturulma Tarihi
24-04-2024 18:50

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