Atomistic simulation of Si-Al nanosponge structure features produced by laser printing method

AI Zelenina and IS Gordeev and LN Kolotova, JOURNAL OF NON-CRYSTALLINE SOLIDS, 606, 122215 (2023).

DOI: 10.1016/j.jnoncrysol.2023.122215

Plasmonic nanoobjects have many applications from biosensors to electronic device components. The most promising method for obtaining such objects is the laser printing method due to the possibility of controlling the resulting structure by experimental conditions. In this work, the influence of laser printing initial param-eters and Al content on silicon-aluminum nanoparticles (NPs) structure were investigated by a combination of theoretical model and atomistic simulations. Si-Al NPs available sizes and metal fractions were calculated for nanosponge according to the typical experimental conditions. Moreover, structure features of nanoporous Si-Al NPs were systematized first. The nature of dependencies in local composition and pure silicon grain radii were analyzed. The obtained results can be used as recommendations for the production of not only silicon-aluminum nanoparticles, but also other silicon-based non-compound binary.

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