• 文献标题:   Chemically-resolved determination of hydrogenated graphene-substrate interaction
  • 文献类型:   Article
  • 作  者:   JORGENSEN AL, DUNCAN DA, KASTORP CFP, KYHL L, TANG ZY, BRUIX A, ANDERSEN M, HAMMER B, LEE TL, HORNEKAER L, BALOG R
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Aarhus Univ
  • 被引频次:   2
  • DOI:   10.1039/c9cp02059d
  • 出版年:   2019

▎ 摘  要

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.