G5 Doctoral dissertation (article)
Analysis and applications of electronic structure in gold and silver nanoclusters (2019)
Kaappa, S. (2019). Analysis and applications of electronic structure in gold and silver nanoclusters [Doctoral dissertation]. Jyväskylän yliopisto. JYU dissertations, 120. http://urn.fi/URN:ISBN:978-951-39-7833-4
JYU authors or editors
Publication details
All authors or editors: Kaappa, Sami
eISBN: 978-951-39-7833-4
Journal or series: JYU dissertations
eISSN: 2489-9003
Publication year: 2019
Number in series: 120
Number of pages in the book: 1 verkkoaineisto (68 sivua, 56 sivua useina numerointijaksoina, 32 numeroimatonta sivua) :
Publisher: Jyväskylän yliopisto
Place of Publication: Jyväskylä
Publication country: Finland
Publication language: English
Persistent website address: http://urn.fi/URN:ISBN:978-951-39-7833-4
Publication open access: Openly available
Publication channel open access: Open Access channel
Abstract
consist of a metal core of more than 2 atoms that are usually protected and stabilized by a monolayer of organic molecules; these molecules are called ligands.
In this thesis, gold and silver nanoclusters are examined through their electronic
structure at the level of density functional theory. New analytical methods are
developed and applied by considering the symmetry of the clusters more thoroughly than before. Gold clusters incorporating a new type type of ligand, Nheterocyclic carbenes, are studied with computational methods to explain the experimental findings. The scanning tunnelling microscope image of a large ligandprotected, atomically precise silver cluster is analyzed with the help of density
functional theory and a pattern recognition algorithm that has been developed
for this study. The results and the new methods both produce a wider understanding of metal nanoclusters and pave the way for research of new types of
ligand-protected metal nanoclusters and their applications.
Keywords: nanoparticles; gold; silver; density functional theory; symmetry; nanoparticles; gold; silver; density functional theory; symmetry
Free keywords: nanoclusters; density functional theory; scanning tunnelling microscopy; N-heterocyclic carbenes
Contributing organizations
Ministry reporting: Yes
Reporting Year: 2019
