Manuela Mura's thesis is devoted to ab initio studies of self-assembled organic molecules on a gold surface. This area of research is particularly vibrant because of the various applications such studies have in nanoscience and surface chemistry and physics. In this thesis Manuela Mura uses theory to suggest atomistic models for the observed assembled and she proposes an assembly mechanism. The methods and results developed as part of this work will be of wide interest to physicists and chemists working on the assemblies of organic molecules on crystal surfaces.
Author(s): Manuela Mura (auth.)
Series: Springer Theses 121
Edition: 1
Publisher: Springer-Verlag Berlin Heidelberg
Year: 2012
Language: English
Pages: 169
Tags: Theoretical and Computational Chemistry;Surface and Interface Science, Thin Films;Surfaces and Interfaces, Thin Films
Front Matter....Pages i-xvi
Introduction....Pages 1-22
Theoretical Methods....Pages 23-39
Hydrogen-Bonding Templates in the Gas Phase....Pages 41-90
Molecules on the Au(111) Surface....Pages 91-113
Influence of Dynamics of Melamine with Au ad-Atom on the Au(111) Surface on Self Assembled Structures: Bright Spots....Pages 115-136
Modelling of DNA Derivatives and Comparison with Experimental Results....Pages 137-160
Conclusions....Pages 161-165
Back Matter....Pages 167-169
