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)

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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
  • 116 (literal)
Pagina fine
  • 127 (literal)
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  • 160 (literal)
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
  • 12 (literal)
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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