SKM 2023 – scientific programme
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O: Fachverband Oberflächenphysik
O 93: Graphene II: Electronic Structure and Growth
O 93.5: Talk
Friday, March 31, 2023, 11:30–11:45, GER 37
Quantitative measurement and first principle prediction of the adsorption structure of graphene on Cu(111) — •Matthew A. Stoodley1,2, Benedikt P. Klein1,2, Luke A. Rochford2, Tien-Lin Lee2, David A. Duncan2, and Reinhard J. Maurer1 — 1University of Warwick, Coventry, United Kingdom — 2Diamond Light Source, Didcot, United Kingdom
Copper is the dominant substrate for the industrial scale growth of graphene, and graphene-functionalised copper foils are regularly employed as electrodes and heterogeneous catalysts. Yet, little is known about the structure of the graphene-copper interface. We report a quantitative measurement of the adsorption height of graphene on Cu(111) using the x-ray standing waves technique. Using state-of-the-art dispersion-corrected density functional theory, we tested different structural models of graphene on copper. Quantitative agreement with experiment could only be achieved by accounting for the moiré superstructure of the graphene layer on the copper surface. We further investigate how lattice strain affects long-range dispersion interactions and therefore the adsorption height of graphene on Cu(111) as well as graphene bilayer interlayer distances. We use these results to assess the predictive capabilities of common dispersion-corrected density functional approximations. Exploration of the adsorption energy of aromatic molecules of varying size, from benzene to graphene enables us to explore size effects between the substrate and organic overlayer.