Poster Presentation at The 45th International Symposium on Dry Process (DPS2024)
PFCC will be presenting a poster at The 45th International Symposium on Dry Process (DPS2024), held from November 14 to 15, 2024. Please see below for the details.
Conference information
Conference Period : Thursday, November 14 – Friday, November 15, 2024
Location : Chitose Civic Culture Center, Hokkaido, Japan
Poster Presentation Information
Category : Computational Approaches (Modeling, Simulation, Machine Learning, AI, Informatics, DX) for Dry Process
Date and Time: Friday, November 15 10:40 AM – 11:40 AM
Title：Reaction analysis of allyl-Co(CO)3 precursors with Si substrates by using universal machine learning potential
Abstract:
Atomic Layer Deposition (ALD) is a promising process for microfabrication in semiconductor manufacturing. Cobalt, for example, is one of the candidates for the next generation wiring metal to replace copper, and the development of ALD processes using cobalt precursors has been widely conducted. On the other hand, the reaction between the precursor and the substrate surface is not clear, and understanding of the reaction mechanism at the molecular level is strongly required to realize a rational precursor design.
In this study, tBu-allyl-Co(CO)3 was used as a precursor for the reactions on H-terminated Si(111) and OH-terminated SiO2(100) surfaces. The MC-AFIR and SC-AFIR methods implemented on GRRM20 combined with PFP (GRRM20 with Matlantis) enabled automatic and exhaustive reaction pathway searches to be completed within a practical calculation time. In the presentation, the calculated mechanism and energy change for these reactions will be used to elucidate the factors responsible for the substrate selectivity that has been obtained experimentally. In addition, designing of the precursor molecules will be discussed by showing the calculation results for different substituents on the allyl ligand.
Presenter
Makoto Sato
Makoto Sato, PhD. earned his Ph.D. in Chemistry from Rikkyo University in 2011 and did postdoctoral research in Organic Reactivity at Rikkyo University and Nagoya University, and part-time lectures at Rikkyo University and Ochanomizu University. In 2018, he joined a semiconductor materials company, and then moved to PFCC via the Central Technical Research Laboratory of ENEOS Corporation in 2023. His current research interest is polymer and semiconductor materials where organic reactivity is important.
For more information about the conference (External Site) >> The 45th International Symposium on Dry Proces
