Abstract
Results of a periodic density-functional theory study of the adsorption of carbon monoxide (CO), hydroxyl (OH), and carboxyhydroxyl (COOH) on Au(110) and Pt(111) surfaces are presented, including their binding energetics, binding geometry, and vibrational characteristics. The reaction pathway and activation barrier for COOH formation from CO and OH on both surfaces are also computed and compared. The relationship between our findings and previous experimental and theoretical results are discussed, particularly in connection with the striking CO electro-oxidation capability of (single-crystal) gold electrodes.
Sign-in/Register to access full text options 
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.
