Exploring the Self-Assembly Behaviors of an Organic
Molecule Functionalized by Terminal Alkyne and Aldehyde Groups on
Au(111)
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Abstract
On-surface self-assembly from molecular
building blocks directed
by supramolecular interactions has been widely reckoned as an efficient
method for controllable construction of low-dimensional nanostructures
and nanomaterials. Numerous efforts have been devoted to exploring
the self-assembled behaviors of molecular precursors on different
surfaces and unravelling the underlying mechanism. Generally, the
molecular precursors are functionalized with one kind of functional
groups for directing the self-assembly. In this study, by combining
real-space direct visualization and DFT calculations, we have investigated
the self-assembly behaviors of an organic molecule functionalized
by two different functional groups: terminal alkyne and aldehyde groups
on Au(111). An ordered racemic island nanostructure is formed on Au(111),
which results from the hybrid interactions between the two functional
groups. Detailed DFT calculations have been performed to compare the
different binding ways and binding strengths between the organic molecules