Abstract
We present Density Functional Theory (DFT) calculations for COads adsorption and COads + OHads ➔ CO2 + Hads reactions on a Pt(111) slab with, and without, adsorbed RuCl5. CO stretching frequencies and bond distances between CO and PtC were calculated. The derived activation energies and reaction energies provide strong evidence that the OHads on the Pt(111) surface oxidatively remove COads in a kinetically more facile manner in the presence of co-adsorbed RuCl5. Methanol catalytic activation by cocatalytic RuCl5 ions offers a promising and convenient route to implementing a methanol-feed with trace levels of Ru ions under fuel cell operating conditions.
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.
