This thesis is focused on the computational characterization of the atomic scale properties of supramolecular structures at surfaces by means of ab-initio density-functional theory (DFT) techniques, and proceed in parallel with the experimental activity of the Low Temperature Scanning Tunneling Microscopy (LT-STM) group at the IOM-CNR TASC Laboratory. In particular, the different roles played by native gold adatoms in the self-assembly of various molecular structures has been deeply analysed.
The role of gold adatoms in the electronic and structural properties of supramolecular architectures at Au(111) surfaces / Velari, Simone. - (2016 Mar 22).
The role of gold adatoms in the electronic and structural properties of supramolecular architectures at Au(111) surfaces
VELARI, SIMONE
2016-03-22
Abstract
This thesis is focused on the computational characterization of the atomic scale properties of supramolecular structures at surfaces by means of ab-initio density-functional theory (DFT) techniques, and proceed in parallel with the experimental activity of the Low Temperature Scanning Tunneling Microscopy (LT-STM) group at the IOM-CNR TASC Laboratory. In particular, the different roles played by native gold adatoms in the self-assembly of various molecular structures has been deeply analysed.| File | Dimensione | Formato | |
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PhD_Thesis_Velari.pdf
Open Access dal 22/03/2017
Descrizione: tesi di dottorato
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