Atomic and electronic structure of a copper/graphene interface as prepared and 1.5 years after

• DOI: 10.1016/j.apsusc.2017.07.279
• Publication Date: 2017-07-31T18:46:04Z
• Authors: D.W. Boukhvalov; P.F. Bazylewski; A.I. Kukharenko; I.S. Zhidkov; Yu. S. Ponosov; E.Z. Kurmaev; S.O. Cholakh; Y.H. Lee; G.S. Chang
• Keywords: GRAPHENE; DFT MODELING; ELECTRONIC STRUCTURE; X-RAY SPECTROSCOPY; COPPER; FOS: Physical sciences; 02 engineering and technology; OXIDATION; Physics - Chemical Physics; CARBON DIOXIDE; Mesoscale and Nanoscale Physics (cond-mat.mes-hall); X RAY SPECTROSCOPY; DENSITY FUNCTIONAL THEORY; COPPER SUBSTRATES; INTERFACES (MATERIALS); Chemical Physics (physics.chem-ph); Condensed Matter - Materials Science; Condensed Matter - Mesoscale and Nanoscale Physics; STRUCTURAL DEFECT; Materials Science (cond-mat.mtrl-sci); FORMATION ENERGIES; SUBSTRATES; Computational Physics (physics.comp-ph); CORROSION BARRIERS; CORROSION BARRIER; METALLIC SUBSTRATE; TWO-STEP MODEL; 0210 nano-technology; RAMAN MEASUREMENTS; Physics - Computational Physics

18 pages, 6 figures, accepted to Appl. Surf. Sci<br/>We report the results of X-ray spectroscopy and Raman measurements of as-prepared graphene on a high quality copper surface and the same materials after 1.5 years under different conditions (ambient and low humidity). The obtained results were compared with density functional theory calculations of the formation energies and electronic structures of various structural defects in graphene/Cu interfaces. For evaluation of the stability of the carbon cover, we propose a two-step model. The first step is oxidation of the graphene, and the second is perforation of graphene with the removal of carbon atoms as part of the carbon dioxide molecule. Results of the modeling and experimental measurements provide evidence that graphene grown on high-quality copper substrate becomes robust and stable in time (1.5 years). However, the stability of this interface depends on the quality of the graphene and the number of native defects in the graphene and substrate. The effect of the presence of a metallic substrate with defects on the stability and electronic structure of graphene is also discussed.<br/>