Interaction of CO with Gold in an Electrochemical Environment
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acs.jpcc.1c04013.pdf
Description
Published version
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2.9 MB
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Author(s)
Vijay, Sudarshan
Hogg, Thomas V
Ehlers, Johan
Kristoffersen, Henrik H
Katayama, Yu
Shao Horn, Yang
Chorkendorff, Ib
Chan, Karen
Seger, Brian
Date Issued
2021
Journal
Journal of Physical Chemistry C
Publisher
American Chemical Society (ACS)
Citation
Vijay, Sudarshan, Hogg, Thomas V, Ehlers, Johan, Kristoffersen, Henrik H, Katayama, Yu et al. 2021. "Interaction of CO with Gold in an Electrochemical Environment." Journal of Physical Chemistry C, 125 (32).
Version
Final published version
Abstract
We present a joint theoretical–experimental study of CO coverage and facet selectivity on Au under electrochemical conditions. With in situ attenuated total reflection surface-enhanced IR spectroscopy, we investigate the CO binding in an electrochemical environment. At 0.2 V versus SHE, we detect a CO band that disappears upon facet-selective partial Pb underpotential deposition (UPD), suggesting that Pb blocks certain CO adsorption sites. With Pb UPD on single crystals and theoretical surface Pourbaix analysis, we eliminate (111) terraces as a possible adsorption site of CO. Ab initio molecular dynamics simulations of explicit water on the Au surface show the adsorption of CO on (211) steps to be significantly weakened relative to the (100) terrace due to competitive water adsorption. This result suggests that CO is more likely to bind to the (100) terrace than (211) steps in an electrochemical environment, even though Au steps under gas-phase conditions bind CO* more strongly. The competition between water and CO adsorption can result in different binding sites for CO* on Au in the gas phase and electrochemical environments.
MIT Department
Massachusetts Institute of Technology. Research Laboratory of Electronics
Massachusetts Institute of Technology. Department of Mechanical Engineering
Massachusetts Institute of Technology. Department of Materials Science and Engineering
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Creative Commons Attribution-NonCommercial-NoDerivs License
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DOI of Published Version
https://doi.org/10.1021/ACS.JPCC.1C04013
