Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001)
Abstract
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.
Main Authors
Format
Articles
Research article
Published
2020
Series
Subjects
Publication in research information system
Publisher
Springer
The permanent address of the publication
https://urn.fi/URN:NBN:fi:jyu-202007015192Use this for linking
Review status
Peer reviewed
ISSN
1022-5528
DOI
https://doi.org/10.1007/s11244-020-01290-3
Language
English
Published in
Topics in Catalysis
Citation
- 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
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Funder(s)
Research Council of Finland
Research Council of Finland
Funding program(s)
Academy Project, AoF
Research costs of Academy Professor, AoF
Akatemiahanke, SA
Akatemiaprofessorin tutkimuskulut, SA
Additional information about funding
Open 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).
Copyright© The Author(s) 2020