Multiscale Theory for Designing Hierarchical Organic Materials formed by Self-assembly

Project Personnel

Amar Flood

Principal Investigator

Email: [email protected]

Mu-Hyun Baik

Peter Ortoleva

Krishnan Raghavachari

Steven Tait

Funding Divisions

Division of Materials Research (DMR), Division of Chemistry (CHE), Office of Multidisciplinary Activities (OMA)

We explored new hierarchical assemblies of molecules as 2D and 3D crystalline materials. Using an integrated approach that unites synthesis, characterization and simulation together, we showed how molecule-scale dynamics impacts large-scale assembly of molecules at interfaces. We learned how macrocycle assembly depends on rigidity, cooperativity, sidechains, monomer sequence, dynamics, processing, ions and stacking.

            We also created a totally new class of fluorescent materials that are the brightest reported. They are called small-molecule ionic-isolation lattices (SMILES). The simplicity, generality, and superior properties of SMILES enables a new platform for programming optical properties seamlessly from molecules to materials.