First, we discuss the modeling of dynamical in situ experiments revealing the growth and self-assembly of nanoparticles in liquid cells. Dynamical observations reveal important details about the self-assembly mechanisms which allow us to develop more precise models and overall understanding of these systems. In this manner we can disclose almost in each experimental setup a different balance of forces guiding the self-assembly, often contradicting simple expectations from mean-field models.  Second, we model the self-assembly of nanoparticles at liquid interfaces, also done in the presence of external magnetic fields. Here, our precise modeling reveals a highly significant role of the liquid in guiding the self-assembly of nanoparticle superlattices. The NP-liquid binding energies are very large, so they fully control the formation of bottom layers in the formed superstructures. We show why very similar solvents can provide very different self-assembly conditions. Finally, we also present the magnetic properties of the self-assembled nanoparticles (hysteresis curves), showing the importance of disorder for these properties. Recently observed superstructures, self-assembled in bulk and at liquid interfaces, will be discussed.

Atomistic modeling of nanoparticle self-assembly in liquid cells and at liquid interfaces

256th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.