Jump to main content
Jump to site search

Issue 37, 2018
Previous Article Next Article

Single atom detachment from Cu clusters, and diffusion and trapping on CeO2(111): implications in Ostwald ripening and atomic redispersion

Author affiliations

Abstract

Ostwald ripening is a key mechanism for sintering of highly dispersed metal nanoparticles in supported catalysts. However, our microscopic understanding of such processes is still primitive. In this work, the atomistic mechanism of the Ostwald ripening of Cu on CeO2(111) is examined via density functional theory calculations. In particular, the detachment of a single Cu atom from ceria supported Cun (n = 2–10, 12, 14, 16, 18, and 20) clusters and trapping on the CeO2(111) surface is investigated in the absence and presence of CO adsorption. It is shown that the adsorption of CO on Cu reduces its detachment energy, which helps in the formation of single atom species on CeO2(111). In addition, the Cu1–CO species is found to diffuse on the CeO2(111) surface with a much lower barrier than a Cu atom. These observations suggest an efficient mechanism for the Ostwald ripening of Cu clusters supported on ceria in the presence of CO. It is further predicted that the Cu1–CO species can eventually migrate to a step site on ceria, generating a stable single-atom motif with a relatively larger binding energy. Finally, the single Cu atom catalyst is shown to possess high activity for the oxygen reduction reaction.

Graphical abstract: Single atom detachment from Cu clusters, and diffusion and trapping on CeO2(111): implications in Ostwald ripening and atomic redispersion

Back to tab navigation

Supplementary files

Publication details

The article was received on 02 Aug 2018, accepted on 23 Aug 2018 and first published on 23 Aug 2018


Article type: Paper
DOI: 10.1039/C8NR06232C
Citation: Nanoscale, 2018,10, 17893-17901
  •   Request permissions

    Single atom detachment from Cu clusters, and diffusion and trapping on CeO2(111): implications in Ostwald ripening and atomic redispersion

    Q. Wan, F. Wei, Y. Wang, F. Wang, L. Zhou, S. Lin, D. Xie and H. Guo, Nanoscale, 2018, 10, 17893
    DOI: 10.1039/C8NR06232C

Search articles by author

Spotlight

Advertisements