Chemically-resolved determination of hydrogenated graphene-substrate interaction

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DOI

  • Anders L. Jorgensen
  • David A. Duncan, Diamond Light Source Ltd
  • ,
  • Claus F. P. Kastorp
  • Line Kyhl
  • Zeyuan Tang
  • Albert Bruix, Tech Univ Munich, Technical University of Munich, Chair Theoret Chem, Tech Univ Munich, Technical University of Munich, Catalysis Res Ctr
  • ,
  • Mie Andersen, Tech Univ Munich, Technical University of Munich, Chair Theoret Chem, Tech Univ Munich, Technical University of Munich, Catalysis Res Ctr
  • ,
  • Bjork Hammer
  • Tien-Lin Lee, Diamond Light Source Ltd
  • ,
  • Liv Hornekaer
  • Richard Balog

Functionalization of graphene on Ir(111) is a promising route to modify graphene by chemical means in a controlled fashion at the nanoscale. Yet, the nature of such functionalized sp(3) nanodots remains unknown. Density functional theory (DFT) calculations alone cannot differentiate between two plausible structures, namely true graphane and substrate stabilized graphane-like nanodots. These two structures, however, interact dramatically differently with the underlying substrate. Discriminating which type of nanodots forms on the surface is thus of paramount importance for the applications of such prepared nanostructures. By comparing X-ray standing wave measurements against theoretical model structures obtained by DFT calculations we are able to exclude the formation of true graphane nanodots and clearly show the formation graphane-like nanodots.

Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume21
Issue25
Pages (from-to)13462-13466
Number of pages5
ISSN1463-9076
DOIs
Publication statusPublished - Jul 2019

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