Dynamics of VLS-Grown Si Nanowires: Insights from Molecular Dynamics Simulations on Facet Evolution, Twinning, Nucleation, and Impurity Dynamics
A clear understanding of the mechanisms governing the growth of nanowires is crucial to achieving control over their structures and properties. Here, we employ molecular dynamics (MD) simulations to investigate several important phenomena in Au-catalyzed Si nanowires (SiNWs) grown via the vapor–liquid–solid method. MD simulation serves as a complementary tool for uncovering the mechanisms of nanow