http://www.cnr.it/ontology/cnr/individuo/prodotto/ID40352
Size-dependent selectivity and activity of silver nanoclusters in the partial oxidation of propylene to propylene oxide and acrolein: A joint experimental and theoretical study (Articolo in rivista)
- Type
- Label
- Size-dependent selectivity and activity of silver nanoclusters in the partial oxidation of propylene to propylene oxide and acrolein: A joint experimental and theoretical study (Articolo in rivista) (literal)
- Anno
- 2011-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1016/j.cattod.2010.08.022 (literal)
- Alternative label
Molina L. M., Lee S., Sell K., Barcaro G., Fortunelli A., Lee B., Seifert S., Winans R. E., Elam J. W., Pellin M. J., Barke I., von Oeynhausen V., Lei Y., Meyer R. J., Alonso J. A., Fraile-Rodriguez A., Kleibert A., Giorgio S., Henry C. R., et al. (2011)
Size-dependent selectivity and activity of silver nanoclusters in the partial oxidation of propylene to propylene oxide and acrolein: A joint experimental and theoretical study
in Catalysis Today; ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, AMSTERDAM (Paesi Bassi)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Molina L. M., Lee S., Sell K., Barcaro G., Fortunelli A., Lee B., Seifert S., Winans R. E., Elam J. W., Pellin M. J., Barke I., von Oeynhausen V., Lei Y., Meyer R. J., Alonso J. A., Fraile-Rodriguez A., Kleibert A., Giorgio S., Henry C. R., et al. (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
- 10.1016/j.cattod.2010.08.022 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- IPCF-CNR,ViaGiuseppeMoruzzi1,PisaI56124,Italy
ArgonneNationalLaboratory,9700SouthCassAvenue,Argonne,IL60439,USA (literal)
- Titolo
- Size-dependent selectivity and activity of silver nanoclusters in the partial oxidation of propylene to propylene oxide and acrolein: A joint experimental and theoretical study (literal)
- Abstract
- Model silvernanocatalystsbetween9and23nminsizewerepreparedbysize-selectedclusterdeposition
from afreeclusterbeamonamorphousaluminafilmsandtheirsize-dependentcatalyticperformance
studied inthepartialoxidationofpropyleneunderrealisticreactionconditions.Smallerclusterspref-
erentially producedacrolein,whilethe23nmparticleswereconsiderablymoreselectivetowardsthe
formation ofpropyleneoxide,atreactionratesfarexceedingthosepreviouslyreportedforlargersilver
particles. Theactivityofclustersdroppedsignificantlywithincreasingparticlesize.First-principlecalcu-
lations, oftheactivationenergiesforoxygenadsorptionanditsdissociation,atvariablesurfacecoverage
yielded surfaceenergieswhichresultedinparticleshapesresemblingtheexperimentallyobservedshapes
of partiallyoxidizedsilverclusters.Thecalculatedactivationbarriersforpropyleneoxideandacrolein
formation onvariousfacetsandontheedgesofthenanoparticlesprovideddetailedinformationabout
the energeticsofthecompetingreactionpathways.Thesize-andcorrespondingmorphology dependent
theoretical activityandselectivity are in good accord with experimental observations. (literal)
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