[10a-N321-1~12] 12.3 Functional Materials and Novel Devices

10:30 AM - 10:45 AM JST(1:30 AM - 1:45 AM UTC)

[10a-N321-7] DFT Calculations on Polymorphs in Thiophene/Phenylene Co-Oligomer BP2T-CN

〇Yukihiro Shimoi^1,2, Kazuhiro Marumoto^1,2,3, Hitoshi Mizuno⁴ (1.Dep. of Mater. Sci., Univ. Tsukuba, 2.OIQSST, Univ. of Tsukuba, 3.TREMS, Univ. Tsukuba, 4.Toyama Pref. Univ.)

Keywords:

thiophene/phenylene co-oligomer,DFT calculations,optical properties

Thiophene/phenylene co-oligomers are a class of semiconductors for promising electrically driven organic laser. Among them, BP2T-CN has two polymorphs in crystal structure. In this presentation, we investigate using DFT calculations to clarify the influence of polymorphs on their optical properties.