000520351 001__ 520351
000520351 005__ 20240927184055.0
000520351 0247_ $$aG:(GEPRIS)166525201$$d166525201
000520351 035__ $$aG:(GEPRIS)166525201
000520351 040__ $$aGEPRIS$$chttp://gepris.its.kfa-juelich.de
000520351 150__ $$aOptische Eigenschaften und ultraschnelle Dynamik in Metall-Cluster-Hybriden mit Diamantoiden und konjugierten pi-Systemen$$y2010 - 2017
000520351 371__ $$aProfessor Dr. Roland Mitric
000520351 450__ $$aDFG project G:(GEPRIS)166525201$$wd$$y2010 - 2017
000520351 5101_ $$0I:(DE-588b)2007744-0$$aDeutsche Forschungsgemeinschaft$$bDFG
000520351 550__ $$0G:(GEPRIS)120401550$$aFOR 1282: Controlling the electronic structure of semiconductor nanoparticles by doping and hybrid formation$$wt
000520351 680__ $$aIn this project we will investigate structural and electronic properties of hybrid systems consisting of metal atoms and clusters interacting with silicon and carbon structures. Our aim is to propose novel hybrid systems with new optical properties such as enhanced absorption and emission in the visible regime by combining the optical response of metal clusters with those of fullerenes, silicon, nanodiamonds and graphene. For controlling of the electronic structure of silicon and carbon subunits by doping and hybrid formation two directions will be pursued: i) the possibility of formation of endohedrally trapped metal atoms and clusters within carbon and silicon cages and ii) interaction of metal clusters with three-dimensional and two-dimensional carbon nanostructures such as nanodiamonds and graphene. For this purpose we will use and advance the combination of time-dependent density functional theory (TDDFT) and its tight binding version (TDDFTB) with nonadiabatic dynamics for description of coupled electronnuclear dynamics. The ultimate goal is to propose building blocks for sensing and photonic materials based on metal cluster chromophores stabilized through hybridization with carbon and silicon structures, in close cooperation with experimental groups.
000520351 909CO $$ooai:juser.fz-juelich.de:946082$$pauthority$$pauthority:GRANT
000520351 909CO $$ooai:juser.fz-juelich.de:946082
000520351 980__ $$aG
000520351 980__ $$aAUTHORITY