H2 dissociative adsorption at the armchair edges of graphite

• Main Authors: Diño, Wilson Agerico, Miura, Yoshio, Nakanishi, Hiroshi, Kasai, Hideaki, Sugimoto, Tsuyoshi, Kondo, Takuya
• Format: text
• Published: Animo Repository 2004
• Subjects: Graphite; Hydrogen; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1231; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2230/type/native/viewcontent
• Institution: De La Salle University

We investigate and discuss how hydrogen behaves at the edges of a graphite sheet, in particular the armchair edge. Our density functional theory-based calculations results show that, in contrast to the zigzag edge [W.A. Diño, H. Nakanishi, H. Kasai, T. Sugimoto, T. Kondoe, e-J. Surf. Sci. Nanotech....