[14p-K507-1~17] CS.5 Code-sharing Session of 6.5 & 7.5

4:30 PM - 4:45 PM JST(7:30 AM - 7:45 AM UTC)

[14p-K507-13] Theoretical investigation on electronic state, geometric structure, and surface reactivity of palladium carbide

〇(M1)Kai Matsuyama¹, Kohei Tada¹, Sho Yamaguchi¹, Tomoo Mizugaki¹, Ryohei Kishi¹, Yasutaka Kitagawa¹ (1.Osaka Univ)

Keywords:

palladium carbide,Hydrogen adsorption,Density functional theory

To achieve the SDGs, we believe it is necessary to explore new materials that have characteristics not found in metals and oxides. In this study, we focused on palladium carbide, which has both ionic and metallic properties. In recent years, high electrocatalytic and hydrogenation activities of palladium carbide have been reported, and it is hypothesized that these activities are enhanced by hetero cleavage of hydrogen. However, the stable composition of group 10 element carbides has not been confirmed, and the surface reactivity and electronic structure are poorly understood, which is the reason for this study.