Thermal Stability of Corrugated Epitaxial Graphene Grown on Re(0001)

Miniussi, E.; Pozzo, M.; Baraldi, A.; Vesselli, E.; Zhan, R. R.; Comelli, G.; Menteş, T. O.; Niño, M. A.; Locatelli, A.; Lizzit, S.; Alfè, D.

doi:10.1103/physrevlett.106.216101

Title: Thermal Stability of Corrugated Epitaxial Graphene Grown on Re(0001)

Journal Article · Sun May 01 00:00:00 EDT 2011 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.106.216101· OSTI ID:1564793

Miniussi, E.; Pozzo, M.; Baraldi, A.; Vesselli, E.; Zhan, R. R.; Comelli, G.; Menteş, T. O.; Niño, M. A.; Locatelli, A.; Lizzit, S.; Alfè, D.

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 Å, 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 moiré cell, though it requires the presence of diffusing graphene layer vacancies.

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Research Organization:: UT-Battelle LLC/ORNL, Oak Ridge, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1564793

Journal Information:: Physical Review Letters, Vol. 106, Issue 21; ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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