Vibrational properties of hydrogen atom adsorbed on Cu(111) and on Ir(111) surfaces

• Main Authors: Nobuhara, Kunihiro, Kasai, Hideaki, Nakanishi, Hiroshi, Diño, Wilson Agerico
• Format: text
• Published: Animo Repository 2004
• Subjects: Vibration; Potential energy surfaces; Electron energy loss spectroscopy; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3748; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4750/type/native/viewcontent/1.1794905
• Institution: De La Salle University

We investigate the quantum mechanical behavior, in particular, the vibrational properties, of H atoms adsorbed on metal surfaces. We carry out density functional theory-based calculations of the relevant potential energy curves (PECs) for the hydrogen on Cu(111) and Ir(111) systems and construct the...