[17p-PB1-1~15] 12.4 Organic light-emitting devices, organic transistors, and flexible devices

[17p-PB1-2] Exploration of Atomic Pairs for High-Mobility n-Type Organic Semiconductors Based on Interatomic Transfer Integrals

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

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 u_ij as t=∑_iju_ij. In this study, we calculated the interatomic transfer integrals of the LUMO and performed statistical analysis to identify atomic pairs that contribute to improving the mobility of n-type organic semiconductors.