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Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001)

MPS-Authors
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Kuhness,  David
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Pal,  Jagriti
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Yang,  Hyun Jin
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Schneider,  Wolf-Dieter
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Heyde,  Markus
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Freund,  Hans-Joachim
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Kuhness, D., Pal, J., Yang, H. J., Mammen, N., Honkala, K., Häkkinen, H., et al. (2020). Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001). Topics in Catalysis, 63(15-18), 1578-1584. doi:/10.1007/s11244-020-01290-3.


Cite as: http://hdl.handle.net/21.11116/0000-0006-AF82-2
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 observa-tions 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 ener-gies, the diffusion barriers, and the vibrational frequencies of the CO molecule on the different binding sites rationalize the experimental findings.