An interaction-site model can a priori predict molecular self-organisation on a new substrate in Monte Carlo simulations. This is experimentally confirmed with scanning tunnelling microscopy on Fréchet dendrons of a pentacontane template. Local and global ordering motifs, inclusion molecules and a rotated unit cell are correctly predicted.

Two flexible multivalent molecular units are employed to self-assemble highly regular supramolecular porous networks at the solid/liquid interface. Scanning tunnelling microscopy imaging corroborated with molecular dynamics simulations make it possible to elucidate the conformational freedom behind the binding motif, which identify the architecture as a highly regular soft network.

Based on a combined scanning tunnelling microscopy and X-ray photoelectron spectroscopy study we present detailed insights into pronounced changes of long-range order and intramolecular conformation during the self-metalation of 2H-5,10,15,20-tetrakis-(3,5-di-tert-butyl)-phenylporphyrin (2HTTBPP) to CuTTBPP on Cu(111). Upon metalation, the porphyrin literally "pops up" from the surface, due to ...

We report an electrochemical gating approach with ∼100% efficiency to tune the conductance of single-molecule 4,4'-bipyridine junctions using scanning-tunnelling-microscopy break junction technique. Density functional theory calculation suggests that electrochemical gating aligns molecular frontier orbitals relative to the electrode Fermi-level, switching the molecule from an off resonance stat...

A liquid-liquid interfacial synthesis using 1,2,4,5-benzenetetrathiol and nickel(II) ions produced a thin black film of a π-conjugated polymer featuring the nickel bis(dithiolene) motif. Its ordered structure was not originally identified due to its amorphicity; however, it was observed to align regularly on a highly oriented pyrolytic graphite substrate using scanning tunnelling microscopy.

Scanning tunnelling microscopy/spectroscopy reveals significant electronic communications between edge-on biphenyl moieties of a benzene core derivatised biaxially with four ethynyl-biphenyls. The key to the successful assembly of conjugated 1D nanowires is the rotatable features of ethynyls, which allow dual adaptability of edge-on and face-on orientations for the aromatic rings.

A photoresponsive self-assembly on a 2-D surface was investigated by scanning tunnelling microscopy (STM). The open-ring isomer of a diarylethene derivative showed an abrupt ordering formation at a critical concentration, which was successfully reproduced by a cooperative model based on Langmuir-type adsorption.