H2 dissociative adsorption on Mg, Ti, Ni, Pd and La surfaces

• Main Authors: Nobuhara, Kunihiro, Kasai, Hideaki, Diño, Wilson Agerico, Nakanishi, Hiroshi
• Format: text
• Published: Animo Repository 2004
• Subjects: Hydrogen—Absorption and adsorption; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1415; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2414/type/native/viewcontent
• Institution: De La Salle University

We calculate the corresponding two-dimensional (2D) potential energy surfaces (PESs) for one fixed lateral H2 center of mass position and one H2 orientation on Mg(0001), Ti(0001) Ni(111), Pd(111) and La(0001) surfaces within the density functional theory. From the results, on the Ti, Ni, Pd and La s...