2D hexagonal tessellations sustained by Br···Br/H contacts: From regular to semiregular to k-uniform tilings

Abstract

Achieving seamless tiling through the self-assembly of organic species has long fascinated scientists for its potential applications across various fields. However, constructing periodic nanostructures with high-order tessellation remains challenging, particularly in achieving precise control at the supramolecular level. In this study, we present the successful creation of multiple seamless 2D tessellations on Au (111) surface using versatile hexagonal tiles derived from a singular molecular unit, namely 2,6,10-tribromotricycloquinazoline. Through scanning tunneling microscopy imaging, seven distinct 2D tessellations, ranging from regular to semiregular to k-uniform tilings, are unveiled at the molecular level. Density functional theory calculations provide a theoretical basis for the formation of these complex 2D tessellation, highlighting the important role of the variability of Br···Br/H contacts in facilitating complex seamless 2D tessellations on surface. This work opens avenues for exploring possibilities in constructing intricate tiling patterns with diverse applications.