[18p-P08-1~18] 12.4 Organic light-emitting devices and organic transistors

[18p-P08-14] Exploring Ring Structures with High Transfer Integrals for High-Mobility Organic Semiconductors

〇(M2)Koki Ozawa¹, Tomoharu Okada¹, Hiroyuki Matsui¹ (1.ROEL, Yamagata Univ.)

Keywords:

organic semiconductor,transfer integral,materials informatics

For organic semiconductors, the larger the intermolecular transfer integral, the higher the mobility is expected to be. Previously, we developed interatomic transfer integrals that decompose the intermolecular transfer integral t into transfer integrals of each atom u_i,j ast=Σ_i,ju_i,j. In this study, we calculated the transfer integrals between substructures by adding up the interatomic transfer integrals only related to specific substructures and statistically analyzed to identify the ring structures with large transfer integrals.