Hydrogen atom quantum migration on platinum

• Main Authors: Roman, Tanglaw, Nakanishi, Hiroshi, Diño, Wilson Agerico, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2006
• Subjects: Approximation theory; Diffusion; Hydrogen; Potential energy surfaces; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1239; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2238/type/native/viewcontent
• Institution: De La Salle University

We have reexamined hydrogen-platinum systems, giving emphasis on the atomic migration on the metal surface. The ideal (111) surface was firstly revisited, with the model potential energy surface for the motion of hydrogen created from calculations using a slab of platinum atoms fixed at the bulk separation obtained from experimental measurements. Calculated hydrogen hopping states in an adiabatic approximation are presented, with the lowest of these found at only 30 meV above the ground state. Effects of the presence of vacancies on the atomic migration are discussed from a potential energy surface constructed using a similar model. © 2006 The Surface Science Society of Japan.