[15p-WL1_201-1~9] Bridging the Gap: Computational Approaches to Address Challenges in Photoelectronic Organic Devices at the Physical-Cyberspace

3:30 PM - 3:45 PM JST(6:30 AM - 6:45 AM UTC)

[15p-WL1_201-6] Study on Molecular Beam Sources in the DNTT Thin-Film Deposition Process via Slow Deposition Method Using Molecular Dynamics Simulation

〇Nobuya Hiroshiba¹, Hirotaka Kojima² (1.Osaka Inst. of Tech., 2.N.I.T. (KOSEN), Maizuru.)

Keywords:

DNTT,MD Simulation,slow deposition method

In the slow deposition method of DNTT, a unique nucleation process occurs where the critical nucleus size is only two molecules. This study hypothesizes that this phenomenon originates from the state of the arriving molecules associated with the low-temperature condition of the evaporation source. To investigate this origin, the evaporation process was analyzed using molecular dynamics (MD) simulations with a molecular cluster model of the DNTT herringbone structure. While molecular evaporation was observed at temperatures above 700 K, emission as single molecules remained predominant across all investigated temperatures. In this presentation, the dynamic behavior of the molecular beam source under the slow deposition method will be discussed in detail.