AI Article Synopsis
- Molecular dynamics simulations were conducted to study the effects of 10 keV C60 particles bombarding an octane molecular solid, focusing on molecular motions and the depth profile of a δ-layer.
- The sputtering yield of the octane system was around 150 nm³, with 85% comprising intact molecules and 15% consisting of fragmented species.
- Displacement of molecules occurs primarily around the crater edge, while deeper layer mixing is challenging due to the large size and shape of octane molecules needing proper alignment for movement.
Article Abstract
Molecular dynamics (MD) simulations have been performed for 10 keV C60 bombardment of an octane molecular solid at normal incidence. The results are analyzed using the steady-state statistical sputtering model (SS-SSM) to understand the nature of molecular motions and to predict a depth profile of a δ-layer. The octane system has sputtering yield of ~150 nm(3) of which 85% is in intact molecules and 15% is fragmented species. The main displacement mechanism is along the crater edge. Displacements between layers beneath the impact point are difficult because the nonspherically shaped octane molecule needs a relatively large volume to move into and the molecule needs to be aligned properly for the displacement. Since interlayer mixing is difficult, the predicted depth profile is dominated by the rms roughness and the large information depth because of the large sputtering yield.
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| http://dx.doi.org/10.1021/ac403035a | DOI Listing |
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