[9p-C214-1~18] 12.4 Organic light-emitting devices, organic transistors, and flexible devices

4:00 PM - 4:15 PM JST(7:00 AM - 7:15 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[9p-C214-8] Exploration of Ring Structures for High-Mobility n-Type Organic Semiconductors Based on Interatomic Transfer Integrals

〇(D)Koki Ozawa^1,2, Tomoharu Okada¹, Satoru Inoue³, Hiroyuki Matsui¹ (1.ROEL, Yamagata Univ., 2.JSPS Research Fellow, 3.INOEL, Yamagata Univ.)

Keywords:

organic semiconductor,transfer integral,materials informatics

Organic semiconductors are expected to exhibit higher mobility as the transfer integral increases. Previously, we developed interatomic transfer integrals that decompose the intermolecular transfer integral t into transfer integrals of each atom pair u_ij as t=Σ_iju_ij. In this study, we focused on five- to seven-membered ring structures rather than individual atomic units. By summing the interatomic transfer integrals within these rings and conducting a statistical analysis, we aimed to identify the cyclic structures that tend to exhibit high transfer integrals of the LUMO, which are crucial for n-type organic semiconductors.