Scattering and dissociative adsorption of H2 on the armchair and zigzag edges of graphite

• Main Authors: Arboleda, Nelson B., Jr., Kasai, Hideaki, Nakanishi, Hiroshi, Dino, Wilson Agerico, Sugimoto, T.
• Format: text
• Published: Animo Repository 2004
• Subjects: Graphite; Potential energy surfaces; Molecular structure; Adsorption; Light—Scattering; Quantum theory; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3747; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4749/type/native/viewcontent/1.1806549
• Institution: De La Salle University

We performed quantum dynamics calculations on the scattering and dissociative adsorption of hydrogen molecules incident on the armchair and zigzag edges of graphite layers, using relevant potential-energy surfaces (PESs) recently obtained by Diño et al. [e-J. Surf. Sci. Nanotech. 2, 77 (2003), and r...