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BEGIN:VEVENT
DTSTAMP:20260310T090211Z
DTSTART;VALUE=DATE-TIME:20180516T130000
DTEND;VALUE=DATE-TIME:20180516T140000
SUMMARY:Graeme Henkelman (UT Austin)
TZID:Europe/London
UID:20180516-8a17841b62afe66d0162be03a02b0c4a@warwick.ac.uk
CREATED:20180413T075851Z
DESCRIPTION:Correlating structure and function for nanoparticle catalysts
  Please note the change of time - seminar will take place on WED at 1pm 
 in D2.02 Special seminar to be held jointly with Physics Theory seminar 
 series Metal nanoparticles of only 100-200 atoms are synthesized using a
  dendrimer encapsulation technique to facilitate a direct comparison wit
 h density functional theory (DFT) calculations in terms of both structur
 e and catalytic function. Structural characterization is done using elec
 tron microscopy\, x-ray scattering\, and electrochemical methods. Combin
 ing these tools with DFT calculations is found to improve the quality of
  the structural models. DFT is also successfully used to predict trends 
 between structure and composition of the nanoparticles and their catalyt
 ic function for reactions including the reduction of oxygen and selectiv
 e hydrogenation. This investigation demonstrates some remarkable propert
 ies of the nanoparticles\, including facile structural rearrangements an
 d nanoscale tuning parameters which can be used to optimize catalytic ra
 tes. In this presentation I will focus on a pair of random alloy bimetal
 lic nanoparticles which have complete different trends in hydrogenation 
 activity as a function of composition. Pd/Au is found to be tunable as a
  function of composition whereas Pt/Au is not. The reason behind these d
 ifferent behaviors will be discussed.
LOCATION:D2.02
CATEGORIES:
LAST-MODIFIED:20180512T083241Z
ORGANIZER;CN=James Kermode:
END:VEVENT
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