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

3:45 PM - 4:15 PM JST(6:45 AM - 7:15 AM UTC)

[15p-WL1_201-7] Molecular simulation study of structure and spectroscopy at interfaces

〇Tatsuya Ishiyama¹ (1.Univ. of Toyama)

Keywords:

molecular dynamics simulation,interface,water

The molecular structure at interfaces is a crucial factor that governs the performance of devices such as organic light-emitting devices. However, experimental methods that can directly probe interfacial structures are highly limited. We have been conducting research to compute Sum Frequency Generation (SFG) spectra, which is an interface-selective spectroscopic technique, using molecular simulations. In this talk, we introduce our previous achievements and recent studies that employ simulations to investigate interfacial structures in organic light-emitting devices.