Atomic Scale Identification of Coexisting Graphene Structures on Ni(111).
J Phys Chem Lett
; 5(3): 467-73, 2014 Feb 06.
Article
em En
| MEDLINE
| ID: mdl-26276594
ABSTRACT
Through a combined scanning tunneling microscopy (STM) and density functional theory (DFT) approach, we provide a full characterization of the different chemisorbed configurations of epitaxial graphene coexisting on the Ni(111) single crystal surface. Top-fcc, top-hcp, and top-bridge are found to be stable structures with comparable adsorption energy. By comparison of experiments and simulations, we solve an existing debate, unambiguously distinguishing these configurations in high-resolution STM images and characterizing the transitions between adjacent domains. Such transitions, described in detail through atomistic models, occur not only via sharp domain boundaries, with extended defects, but predominantly via smooth in-plane distortions of the carbon network, without disruption of the hexagonal rings, which are expected not to significantly affect electron transport.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Tipo de estudo:
Diagnostic_studies
Idioma:
En
Ano de publicação:
2014
Tipo de documento:
Article