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Accueil du site > Actualités > HDR Hans-Christian Weissker

HDR Hans-Christian Weissker

Hans-Christian Weissker a défendu ses travaux de recherche lors de son habilitation à diriger des recherches, ce lundi 4 Juin. L’occasion de découvrir l’ensemble des collaborations fructueuses qu’il a développées autour de son sujet sur la spectroscopie théorique.

Title : "Theoretical Spectroscopy of Noble-Metal Clusters"

Abstract :

The peculiar optical properties of noble-metal clusters and nanoparticles are mostly governed by the localized surface-plasmon resonance (LSPR). The strong absorption arising from the LSPR in the visible and the near-UV parts of the spectrum of many clusters enables a multitude of applications. Here, we review the physical effects that dominate and influence the optical properties of noble-metal clusters in different size ranges, focusing in particular on the emergence phenomenon of the LSPR in gold clusters and on the presence of individual structure in the spectra which provide information on the cluster’s quantum nature. Basic difficulties arising for experimental measurements of the optical properties are mentioned.

Atomistic Time-Dependent Density-Functional Theory (TDDFT) is widely used for the description of noble-metal clusters of intermediate size, viz., between the molecule-like structures comprising but a few atoms and sizes of about 2 nm. We discuss the basics of these ab initio TDDFT calculations, with a particular focus on the time-evolution approach. Subsequently, we show and discuss examples that highlight the strengths of the present TDDFT methods. In particular, we look at the emergence of the localized surface plasmon resonance depending on the geometry, at the effects of allowing, and at the role of ligand molecules in wet-chemically produced clusters that stabilize and influence the properties of the latter.

JPG - 122.4 ko