Chemically-resolved determination of hydrogenated graphene-substrate interaction

Autor: Albert Bruix, Zeyuan Tang, Anders L. Jørgensen, David A. Duncan, Liv Hornekær, Tien-Lin Lee, Richard Balog, Bjørk Hammer, Mie Andersen, Claus F. P. Kastorp, Line Kyhl
Jazyk: angličtina
Rok vydání: 2019
Předmět:
Zdroj: Jorgensen, A L, Duncan, D A, Kastorp, C F P, Kyhl, L, Tang, Z, Bruix, A, Andersen, M, Hammer, B, Lee, T-L, Hornekaer, L & Balog, R 2019, ' Chemically-resolved determination of hydrogenated graphene-substrate interaction ', Physical Chemistry Chemical Physics, vol. 21, no. 25, pp. 13462-13466 . https://doi.org/10.1039/c9cp02059d
Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp02059d
Popis: 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.
Databáze: OpenAIRE