Abstract
The stability of the self-assembled RS–Au–SR (R = CH2CH3)/Au(111) interface at room temperature has been investigated using scanning tunneling microscopy (STM) in conjunction with density functional theory (DFT) and MD calculations. The RS–Au–SR staple, also known as Au-adatom-dithiolate, assembles into staple rows along the [112̅] direction. STM imaging reveals that while the staple rows are able to maintain a static global structure, individual staples within the row are subjected to constant breaking and remaking of the Au–SR bond. The C2S–Au–SC2/Au(111) interface is under a dynamic equilibrium and it is far from rigid. DFT/MD calculations show that a transient RS–Au–Au–SR complex can be formed when a free Au atom is added to the RS–Au–SR staple. The relatively high reactivity of the RS–Au–SR staple at room temperature could explain the reactivity of thiolate-protected Au nanoclusters, such as their ability to participate in ligand exchange and intercluster reactions.
Original language | English |
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Pages (from-to) | 19473−19480 |
Number of pages | 8 |
Journal | Journal of Physical Chemistry C |
Volume | 122 |
Issue number | 34 |
Early online date | 6 Aug 2018 |
DOIs | |
Publication status | Published - 30 Aug 2018 |