First-principles investigation of the dissociation and coupling of methane on small copper clusters : interplay of collision dynamics and geometric and electronic effects

• Main Authors: Varghese, Jithin John, Mushrif, Samir Hemant
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2015
• Subjects: DRNTU::Science::Chemistry::Physical chemistry
• Online Access: https://hdl.handle.net/10356/102996; http://hdl.handle.net/10220/25809
• Institution: Nanyang Technological University

Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clus...