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HL: Fachverband Halbleiterphysik
HL 21: Graphene: Electronic Structure and Excitations (joint session O/HL)
HL 21.6: Vortrag
Dienstag, 18. März 2025, 11:45–12:00, H6
Facet-dependent growth and properties of graphene on Al2O3 surfaces from first principles — •Armin Sahinovic and Rossitza Pentcheva — Department of Physics, University of Duisburg-Essen
The direct growth of graphene on functional substrates such as sapphire (Al2O3) enables the use in optoelectronic devices without the necessity of sample transfer. We explore the role of the surface orientation of Al2O3 on the growth of graphene [1] using density functional theory. The stoichiometric terminations are identified as the most stable surface terminations of the C-, R- and A-plane facets in the framework of ab initio thermodynamics. Next, we consider the adsorption of carbon atoms on the different surface facets, varying their position and concentration. The adsorption energy shows the weakest binding at the R-plane and the most favorable at the A-plane. We associate this with the more unsaturated oxygen bonds at the A-plane compared to the R- and C-plane. Furthermore, we explore the graphene - Al2O3 interaction and its impact on the electronic properties of graphene. Our results provide a deeper understanding of the role of the surface facets of the substrate in the scalable graphene growth on Al2O3.
Funding by GRK2803 2D-MATURE (Project P4) and computational time at the supercomputers MagnitUDE and AmplitUDE are gratefully acknowledged
[1] Y. Ueda et al., Appl. Phys. Lett. 1, 115 (1), 013103 (2019)
Keywords: Density Functional Theory; Sapphire; Growth; Graphene; Adsorbtion