The hard sphere diameter of nanocrystals (nanoparticles)
Xun Zha, Alex Travesset
Abstract
The hard sphere diameter dHS of a nanocrystal (or nanoparticle) is a very important parameter that determines the nearest neighbor separation of their assembled structure, even in those situations where the nanocrystals have large deformations of the ligand shell that prevent them from being described as hard spheres. The parameter dHS is a function of the number of grafted ligands and critically depends on the maximum ligand grafting density σMax, which we calculate by three different methods for the 351 gold nanocrystals with the number of atoms between 38 and 4033. The use of dHS in the interpretation of experimental results is analyzed.
Topics & Concepts
NanocrystalNanoparticleMaterials scienceShell (structure)SPHERESHard spheresNanotechnologyInterpretation (philosophy)Function (biology)k-nearest neighbors algorithmPhysicsThermodynamicsComposite materialComputer scienceAstronomyBiologyArtificial intelligenceEvolutionary biologyProgramming languageGold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and ApplicationsQuantum Dots Synthesis And Properties