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SUMMARY:Periodic Trends in Adsorption Energies around the Single-Atom Allo
 y Active Site - Julia Schumann
DTSTART:20210217T113000Z
DTEND:20210217T123000Z
UID:TALK156004@talks.cam.ac.uk
CONTACT:Chuck Witt
DESCRIPTION:Single-Atom Alloys (SAAs) are a special class of alloy surface
  catalysts that offer well defined\, isolated active sites in a more inert
  metal host. The dopant sites are generally assumed to have little or no i
 nfluence on the properties of the host\, and transport of chemical reactan
 ts and products to and from the dopant sites is generally assumed to be fa
 cile. Here\, by performing density functional theory calculations and surf
 ace science experiments\, we identify a new physical effect on SAA surface
 s\, whereby adsorption is destabilised on the host around the perimeter of
  the reactive dopants. In my talk I will present periodic trends within th
 is class of surfaces\, and demonstrate a zone of repulsion around the reac
 tive sites for a range of adsorbates and combinations of host and dopant m
 etals. Evidence of this computationally observed effect was obtained in su
 rface science experiments.
LOCATION:Zoom
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