(615h) Simulating Growth Mechanisms for Magic-Size Nanoparticle Self-Assembly

Magic-size nanoclusters and -particles have versatile technological applications, in particular relying on their high degree of monodispersity resulting in, for example, strongly size-dependent photonic properties. The underlying mechanisms that lead to the size-limited synthesis of nano-assemblies are still often mysterious, and their growth remains difficult to study due to the short time- and length scales involved. We investigate the growth behavior and structural characteristics of particles that self-assemble into strongly monodisperse batches through numerical simulations of particles modeled via simple, isotropic interactions. We study size-selective behavior during assembly due to competing interactions that rely on different mechanisms: both short-range attraction and long-range repulsion, as well as structure-specific processes. Our model systems mimic the self-assembly of silica nanoparticles and semiconductor nanoclusters, and our studies reveal fundamental principles that we aim to generalize and transfer to new materials systems for the targeted design of size-specific nanomaterial synthesis.