First, we discuss our modeling of binary systems of nanoparticles (NPs) which self-assemble at liquid surfaces. Our modeling reveals that NPs-liquid coupling energies form about 40% of the total lattice energy, which means that this coupling largely controls the types of NP-superlattices formed. We explain why different superlattices form and show why similar solvents can provide very different NPs self-assembly conditions. Next, we present our modeling of supercharged NPs that self-assemble in bulk solvents, and clarify the conditions under which different superionic lattices form.

Atomistic modeling of nanoparticles self-assembly with complex coupling

2019 Spring National Meeting

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