Semiconducting Nanoparticles (SNP)

Semiconducting Nanoparticles (SNP)
Lead PIsGiulia Galli [for BB] & Sharon Glotzer [for BB assembly]
Atomistic structure of building blocks (BB)To be determined for:
  • core of the NPs
  • ligands/core interfaces
Strategy to determine structural model of BB : work in progress
BB properties to validateIonization potentials; electronic gaps; absorption coefficient; polarizability (*)
Methods & techniques to validate for BBTheoretical accuracy:
  • interatomic interactions (including type of DFT)
  • approximations chosen for spectroscopic properties (e.g. DFT vs GW)
Numerical precision.
Structural properties of assembled BB blocksStructure of solids of nanoparticles

Ordered vs disordered phases; ligand arrangements
Binary mixtures assembly
Properties of assembled BB to validateSame as (*) for the assembled solid
Phase diagram of binary assembly
ExperimentalistDmitri Talapin