Abstract
We propose K1–xMo3P2O14 as a promising support for single-atom catalysts. A novel single-atom catalyst, Pt/K1–xMo3P2O14, was then designed for CO oxidation and its catalytic activity was investigated by means of first-principles computations. The agglomeration of Pt atoms is effectively inhibited by K1–xMo3P2O14. Eley–Rideal (ER), Langmuir–Hinshelwood (LH), and oxygen vacancy mechanism were considered for CO oxidation, and the results indicate that Pt/K1–xMo3P2O14 exhibits ultrahigh activity with a low energy barrier of 0.49 eV for low-temperature CO oxidation via LH mechanism. The computations would shed new light on the design of novel single-atom catalysts and widen the applications of mixed-valent molybdenum monophosphates.
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.
