Studies of structures and melting of small metal clusters
Julkaistu sarjassa
Research report / Department of Physics, University of JyväskyläTekijät
Päivämäärä
2004Oppiaine
FysiikkaJulkaisija
University of JyväskyläISBN
978-951-39-3151-3ISSN Hae Julkaisufoorumista
0075-465XMetadata
Näytä kaikki kuvailutiedotKokoelmat
- Väitöskirjat [3426]
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Density functional studies of the electronic structure and catalytic properties of small bare and ligand-protected gold clusters
Kacprzak, Katarzyna Anna (University of Jyväskylä, 2010)In this thesis, bare and thiolate-protected gold nanoclusters and thiolated polymeric gold, silver and copper complexes are computationally studied by using density functional codes GPAW (grid projector augmented wave) ... -
Electronic, structural and chemical properties of gold clusters on ultra-thin oxide films
Frondelius, Pentti (University of Jyväskylä, 2009)Two decades ago, it was found that gold is catalytically active as clusters although it is known to be inert as bulk material. In the work presented in this thesis, density functional theory calculations have been applied ... -
Electronic and structural studies of free and supported metal clusters and molecules
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Cluster Structure of 9Be by Scattering of Deuterons
Lukyanov, S.M.; Denikin, A. S.; Naumenko, M. A.; Burjan, V.; Trzaska, Wladyslaw; Harakeh, M.; Etasse, D.; Kroha, V.; Mrazek, J.; Mendibayev, K.; Sivaček, I.; Glagolev, V.; Piskoř, Š.; Penionzhkevich, Yu.E.; Skobelev, N.K.; Stefan, I.; Verney, D.; Kuterbekov, K.; Zholdyvayev, T. (IOP Publishing, 2018)Angular distributions of protons, deuterons, tritons and alpha particles emitted in the reaction 2H+9Be at Elab=19.5 MeV were measured with an aim to shed light on the internal cluster structure of 9Be and to study ... -
Electronic structure calculations of aluminum and sodium clusters
Akola, Jaakko (2000)This thesis is a review of five publications, where small and medium-sized (N ≤ 102) aluminum and sodium clusters and their electronic structure are studied using a first-principles simulation method. The initial motivation ...
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