Abstract
The vibrational properties of the three ordered metallic surface alloys, Cu(100) -c(2 × 2)- Pd , Cu(100)-(2 × 1)-Pd , and Cu(100)-(2 × 2)-Pd , are presented. The phonon dispersions of vibrational modes as well as the local density of phonon states (LDOS) are calculated using matching theory associated with Green's function formalism. The calculated results are discussed and interpreted. In particular, the transfer of charge between the Pd and Cu atoms in the surface alloys modifies the surface boundary force constants, with resultant remarkable differences for the vibrational LDOS on the Pd and Cu atomic sites at the Pd/Cu(100) surface, compared to the LDOS at the pure Cu(100) surface. This may favor new Pd -catalyzed reactions at such surface alloys systems.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: 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.
