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In Situ SIMS and IR Spectroscopy of Well-defined Surfaces Prepared by Soft Landing of Mass-selected Ions
Published on: June 16, 2014
Molecular dynamics simulation of the deposition process of cold Ag-clusters under different landing conditions
Philipp Thaler1, Alexander Volk1, Martin Ratschek1
1Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria.
Abstract:
We present a series of molecular dynamics simulations on the surface deposition process of initially free silver clusters (Agn) with different sizes (n = 100-2000) and morphologies. During the whole deposition process the morphology of the clusters was studied as a function of the landing conditions. These conditions include variations of the depth and range of the substrate potential as well as the thermal coupling to the surface and a variation of the impact velocity of the free clusters. Depending on the applied conditions the clusters' final form ranges from spread out fragments via deformed and restructured heaps to quasi unchanged spherical clusters sitting at the surface. Under certain landing conditions larger clusters retain their initial multiply twinned morphology upon deposition, while smaller ones undergo structural transitions to form single domain particles. Furthermore, the occurrence of a structural transition depends on the initial structure-initially decahedral clusters tend to conserve their morphology better than icosahedral ones. The same behavior can also be observed in our experiments, where silver clusters were grown in helium nanodroplets and subsequently deposited on amorphous carbon substrates.

