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.
Thermal Stability of Corrugated Epitaxial Graphene Grown on Re(0001) / Miniussi, E; Pozzo, M; Baraldi, A; Vesselli, E; Zhan, Rr; Comelli, G; Mentes, To; Nino, Ma; Locatelli, A; Lizzit, S; Alfe, D. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 106:21(2011). [10.1103/PhysRevLett.106.216101]
Thermal Stability of Corrugated Epitaxial Graphene Grown on Re(0001)
Alfe D
2011
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
