Graphene on Ir(111), adsorption and intercalation of Cs and Eu atoms
Affiliation: Rudjer Boskovic Institute, Zagreb, Croatia
Abstract Details: Experimental and theoretical study of Cs and Eu atoms adsorption on graphene on Ir(111) will be presented. Graphene on Ir(111) surface is an interesting system because graphene has almost pristine electronic structure in it due to its weak bonding character to Iridum surface. The bonding is almost exclusively of the van der Waals type. However adding Cs or Eu atoms graphene gets doped and and nature of binding changes - especially in the case when the atoms intercalate. Density Functional Theory calculations with standard semilocal functionals (GGA) -- fail to reproduce experimental findings even qualitatively. Only when the newly developed nonlocal correlation functional is used (vdW-DF) which includes van der Waals interactions, are the calculations in agreement with experiment, revelaing the mechanism of graphene delamination and relamination which is crucial for intercalation and trapping of atoms under the graphene.
About The Speaker: Predrag Lazic received his Ph.D. in theoretical physics - condensed matter from the University of Zagreb in 2007. As a Humboldt scholar in Forschungszentrum Juelich (Germany) he continued working on surface physics, particularly on spin transport through molecules on surfaces. During that time, he pioneered the implementations of van-der-Waals interactions within the DFT methods. In the following years, he joined Ceder group at Massachusetts Institute of Technology (USA), where he worked on predicative theory for water-splitting catalytic materials. In June 2012, he joined the Rudjer Boskovic Institute (Croatia) as a research scientist . His current research interests include surface science and material science, with particular interest in graphene, spintronics and surface catalysis for energy applications. In his spare time, he developed a novel 'Robin Hood' numerical method for fast solving boundary value problems, and commercialised it through his company Artes Calculi (http://www.artcalc.com/). He has published more than 40 journal papers.
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