Berlin 2012 – scientific programme

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DS: Fachverband Dünne Schichten

DS 37: Poster II: Focused electron beam induced processing for the fabrication of nanostructures (focused session, jointly with O); Nanoengineered thin films; Layer properties: electrical, optical, and mechanical properties; Thin film characterization: structure analysis and composition (XRD, TEM, XPS, SIMS, RBS,..); Application of thin films

DS 37.3: Poster

Thursday, March 29, 2012, 15:00–17:00, Poster E

Theoretical modelling of EBID precursors on a substrate — Kaliappan Muthukumar, Ingo Opahle, •Juan Shen, Harald O. Jeschke, and Roser Valenti — Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Straße 1, 60438 Frankfurt am Main

Among the many unknowns in the microscopic processes underlying the electron beam induced deposition of nanostructures are the details of the adhesion of the precursor molecules on the substrate. The mechanism of adsorption for a single molecule will be the starting point for the simulation of the dynamical processes during the initial stages of the growth of a metallic nanodeposit. By means of density functional theory (DFT) calculations with and without inclusion of long range van der Waals (vdW) interactions, we have studied the interaction of tungsten hexacarbonyl W(CO)₆ and trimethyl methylcyclopentadienyl platinum (MeCpPtMe₃) as precursor molecules with partially hydroxylated and fully hydroxylated SiO₂ substrates corresponding to different experimental conditions.