Abstract
With first-principles methods, we investigate the stability of isolated Ptn clusters from Sutton-Chen model and close-packed model, and their adsorption on defected graphene. The single-vacancy in graphene is found to enhance obviously the adsorption energy of Pt cluster on graphene due to the introduction of localized states near Fermi level. It is found that the close-packed model is more stable than Sutton-Chen model for the adsorption of Ptn cluster on single-vacancy graphene, except the magic number n=13. The cluster Pt13 may be the richest one for small Pt clusters on defected graphene due to the strong adsorption on single-vacancy. The larger cluster adsorbed on defected graphene is predicted with the close-packed crystal structure. The charge is found to transfer from the Pt atom/cluster to graphene with the charge accumulation at the interface and the charge polarization on Pt cluster. The strong interaction between Pt cluster and single vacancy can anchor effectively the Pt nanoparticles on graphene and is also expected that the new states introduced near Fermi level can enhance the catalytic characteristic of Pt cluster.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.