Heptagons in the Basal Plane of Graphene Nanoflakes Analyzed by Simulated X-ray Photoelectron Spectroscopy.

ABSTRACT: The performance of graphene-based electronic devices depends critically on the existence of topological defects such as heptagons. Identifying heptagons at the atomic scale is important to completely understand the electronic properties of these materials. In this study, we report an atomic-scale analysis of graphene nanoflakes with two to eight isolated or connected heptagons, using simulated C 1s X-ray photoelectron spectroscopy (XPS) to estimate the XPS profiles depending on the density and the position of the heptagons. The introduction of up to 24% of isolated heptagons shifted the peak position toward high binding energies (284.0 to 284.3 eV), whereas the introduction of up to 39% of connected heptagons shifted the calculated peak position toward low binding energies (284.0 to 283.5

SUBMITTER: Kim J 

PROVIDER: S-EPMC7841947 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature