This title appears in the Scientific Report : 2018 

A Monolayer of Hexagonal Boron Nitride on Ir(111) as a Template for Cluster Superlattices
Will, Moritz (Corresponding author)
Atodiresei, Nicolae (Corresponding author) / Caciuc, Vasile / Valerius, Philipp / Herbig, Charlotte / Michely, Thomas
Quanten-Theorie der Materialien; IAS-1
JARA - HPC; JARA-HPC
JARA-FIT; JARA-FIT
Quanten-Theorie der Materialien; PGI-1
ACS nano, 12 (2018) 7, S. 6871 - 6880
Washington, DC Soc. 2018
10.1021/acsnano.8b02127
29920200
Journal Article
Hybrid 2D-based interfaces from first principles
Controlling Configuration-Based Phenomena
Please use the identifier: http://dx.doi.org/10.1021/acsnano.8b02127 in citations.
The moiré of a monolayer of hexagonal boron nitride on Ir(111) is found to be a template for Ir, C, and Au cluster superlattices. Using scanning tunneling microscopy, the cluster structure and epitaxial relation to the substrate, the cluster binding site, the role of defects, as well as the thermal stability of the cluster lattice are investigated. The Ir and C cluster superlattices display a high thermal stability, before they decay by intercalation and Smoluchowski ripening. Ab initio calculations explain the extraordinarily strong Ir cluster binding through selective sp3 rehybridization of boron nitride involving B-Ir cluster bonds and a strengthening of the nitrogen bonds to the Ir substrate in a specific, initially only chemisorbed valley area within the moiré.