Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001)
Kuhness, D., Pal, J., Yang, H. J., Mammen, N., Honkala, K., Häkkinen, H., Schneider, W.-D., Heyde, M., & Freund, H.-J. (2020). Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001). Topics in Catalysis, 63(15-18), 1578-1584. https://doi.org/10.1007/s11244-020-01290-3
Published inTopics in Catalysis
© The Author(s) 2020
The adsorption behavior of single CO molecules at 4 K bound to Au adatoms on a Ag(001) metal surface is studied with scanning tunneling microscopy (STM) and inelastic electron tunneling spectroscopy (IETS). In contrast to earlier observations two different binding configurations are observed—one on top of a Au adatom and the other one adsorbed laterally to Au on Ag(001). Moreover, IETS reveals different low-energy vibrational energies for the two binding sites as compared to the one for a single CO molecule bound to Ag(001). Density functional theory (DFT) calculations of the adsorption energies, the diffusion barriers, and the vibrational frequencies of the CO molecule on the different binding sites rationalize the experimental findings.
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Related funder(s)Academy of Finland
Funding program(s)Academy Project, AoF; Research costs of Academy Professor, AoF
Additional information about fundingOpen access funding provided by Projekt DEAL. The theoretical work was supported by the Academy of Finland through Projects 319208 (H.H.) and 277222 (K.H.). Computations were made at the Barcelona Supercomputing Center as part of a PRACE Project 2018194723 and at the JYU Node of the FGCI Infrastructure (Persistent Identifier urn:nbn:fi:research-infras-2016072533).
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