Pathways for SO2 dissociation on Cu(100): Density functional theory

• Main Authors: Mozo, Romel, Agusta, Mohammad Kemal, Rahman, Md Mahmudur, Diño, Wilson A., Rodulfo, Emmanuel T., Kasai, Hideaki
• Format: text
• Published: Animo Repository 2007
• Subjects: Copper compounds; Dissociation; Decomposition (Chemistry); Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3801; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4803/type/native/viewcontent/365244.html
• Institution: De La Salle University

The dissociation of SO2 on Cu(100) and the diffusion of the co-adsorbed decomposition products S and O were investigated using density functional theory-based calculations. Two dissociation pathways were considered: (P1) and (P2) , the difference being in the formation of the intermediate product SO...