- Tytuł:
- Tuning the Charge Transfer and Optoelectronic Properties of 4,6-Di(Thiophene-2-YL)Pyrimidine via Oligocenothiophene Substitution
- Autorzy:
-
Irfan, A.
Chaudhry, A. R.
Al-Sehemi, A. G.
Muhammad, S.
Jin, R.
Tang, S. - Powiązania:
- https://bibliotekanauki.pl/articles/356638.pdf
- Data publikacji:
- 2018
- Wydawca:
- Polska Akademia Nauk. Czytelnia Czasopism PAN
- Tematy:
-
organic semiconductors
oligocene
density functional theory
optoelectronic properties
charge transfer properties - Opis:
- Five new derivatives of 4,6-di(thiophen-2-yl)pyrimidine (DTP) were designed by structural modification with the aim to tune the electro-optical and charge transfer properties. The effect of oligocene and oligocenothiophene incorporation/substitution was investigated on various properties of interests. The smaller hole reorganization energy revealed that compounds 1-5 might be good hole transfer contenders. The smaller hole reorganization energy of newly designed five DTP derivatives than the pentacene showed that prior compounds might be good/comparable hole transfer materials than/to that of pentacene. The computed electron reorganization energy of DTP derivatives 1-5 are 124, 185, 93, 95 and 189 meV smaller than the meridional-tris (8-hydroxyquinoline) aluminum (mer-Alq3) illuminating that electron mobility of these derivatives might be better/comparable than/to referenced compound.
- Źródło:
-
Archives of Metallurgy and Materials; 2018, 63, 4; 1629-1636
1733-3490 - Pojawia się w:
- Archives of Metallurgy and Materials
- Dostawca treści:
- Biblioteka Nauki
Artykuł