Miniussi, E; Pozzo, M; Baraldi, A; Vesselli, E; Zhan, RR; Comelli, G; Mentes, TO; ... Alfe, D; + view all Miniussi, E; Pozzo, M; Baraldi, A; Vesselli, E; Zhan, RR; Comelli, G; Mentes, TO; Nino, MA; Locatelli, A; Lizzit, S; Alfe, D; - view fewer (2011) Thermal Stability of Corrugated Epitaxial Graphene Grown on Re(0001). PHYS REV LETT , 106 (21) , Article 216101. 10.1103/PhysRevLett.106.216101.

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Abstract

We report on a novel approach to determine the relationship between the corrugation and the thermal stability of epitaxial graphene grown on a strongly interacting substrate. According to our density functional theory calculations, the C single layer grown on Re(0001) is strongly corrugated, with a buckling of 1.6 angstrom, yielding a simulated C 1s core level spectrum which is in excellent agreement with the experimental one. We found that corrugation is closely knit with the thermal stability of the C network: C-C bond breaking is favored in the strongly buckled regions of the moire cell, though it requires the presence of diffusing graphene layer vacancies.

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