Identification of the Scaling Relations for Binary Noble-Metal Nanoparticles
2013 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 117, no 6, 2849-2854 p.Article in journal (Refereed) Published
There exist a great many varieties of nanoparticles whose catalytic activities can be widely adjusted by changing their composition, shape, and size. Norskov's concepts to correlate the d-band center, adsorption energy, and activation energy offer an innovative approach to efficiently investigate the catalytic properties. Taking binary noble-metal polyhedral nanoparticles as representative systems, we found from first-principles simulations that the well-established scaling relations of the adsorption energies for extended surfaces can be seamlessly extended to the nanoscale. A systematic investigation of the correlation relations of the adsorption energies between the AH(x) groups and the corresponding A atoms in the binary noble-metal polyhedral nanoclusters of different compositions, shapes, and sizes clearly demonstrates the linear scaling relation. More remarkably, the scaling relation at the nanoscale can be effectively unified with the well-established scaling relations for extended surfaces. Such a description should be extremely helpful for the efficient screening of nanoparticles with superior catalytic properties.
Place, publisher, year, edition, pages
2013. Vol. 117, no 6, 2849-2854 p.
Oxygen Reduction Activity, Catalytic Co Oxidation, Colloidal Solution, Surface-Chemistry, Alloy Catalysts, Formic-Acid, Shape, Nanocrystals, Size, Clusters
IdentifiersURN: urn:nbn:se:kth:diva-119738DOI: 10.1021/jp311104wISI: 000315181800055ScopusID: 2-s2.0-84873972290OAI: oai:DiVA.org:kth-119738DiVA: diva2:612570
FunderSwedish Research Council
QC 201303222013-03-222013-03-212015-02-11Bibliographically approved