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

Project Personnel

Amar Flood

Principal Investigator

Indiana University Bloomington

Email

Mu-Hyun Baik

Indiana University Bloomington

Email

Krishnan Raghavachari

Indiana University Bloomington

Email

Steven Tait

Indiana University Bloomington

Email

Peter Ortoleva

Indiana University Bloomington

Email

Funding Divisions

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

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.

 

 

Publications

Breaking Radial Dipole Symmetry in Planar Macrocycles Modulates Edge‐to‐Edge Packing and Disrupts Cofacial Stacking
Y. Li, H. D. Castillo, J. R. Dobscha, A. R. Morgan, S. L. Tait, and A. H. Flood
12/19/2023
Ultrabright Fluorescent Organic Nanoparticles Based on Small‐Molecule Ionic Isolation Lattices**
J. Chen, S. M. A. Fateminia, L. Kacenauskaite, N. Bærentsen, S. Grønfeldt Stenspil, J. Bredehoeft, K. L. Martinez, A. H. Flood, and B. W. Laursen
3/11/2021
Plug-and-Play Optical Materials from Fluorescent Dyes and Macrocycles
C. R. Benson, L. Kacenauskaite, K. L. VanDenburgh, W. Zhao, B. Qiao, T. Sadhukhan, M. Pink, J. Chen, S. Borgi, C. Chen, B. J. Davis, Y. C. Simon, K. Raghavachari, B. W. Laursen, and A. H. Flood
8/1/2020
Solution-Mediated Annealing Pathways Are Critical for Supramolecular Ordering of Complex Macrocycles at Surfaces
H. D. Castillo, J. Yang, S. Debnath, J. R. Dobscha, C. Q. Trainor, R. D. Mortensen, K. Raghavachari, A. H. Flood, P. J. Ortoleva, and S. L. Tait
3/2/2020
Sequence-Defined Macrocycles for Understanding and Controlling the Build-up of Hierarchical Order in Self-Assembled 2D Arrays
J. R. Dobscha, H. D. Castillo, Y. Li, R. E. Fadler, R. D. Taylor, A. A. Brown, C. Q. Trainor, S. L. Tait, and A. H. Flood
9/10/2019
Surface Self-Assembly, Film Morphology, and Charge Transport Properties of Semiconducting Triazoloarenes
D. L. Wisman, S. Kim, T. W. Morris, J. Choi, C. D. Tempas, C. Q. Trainor, D. Lee, and S. L. Tait
4/12/2019
Supramolecular Assemblies on Surfaces: Nanopatterning, Functionality, and Reactivity
D. P. Goronzy, M. Ebrahimi, F. Rosei, Y. Fang, S. De Feyter, S. L. Tait, C. Wang, P. H. Beton, A. T. S. Wee, P. S. Weiss, and D. F. Perepichka
6/22/2018
Multiscale Molecular Dynamics Approach to Energy Transfer in Nanomaterials
J. M. Espinosa-Duran, Y. V. Sereda, A. Abi-Mansour, and P. Ortoleva
2/2/2018
Amphiphile self-assembly dynamics at the solution-solid interface reveal asymmetry in head/tail desorption
H. D. Castillo, J. M. Espinosa-Duran, J. R. Dobscha, D. C. Ashley, S. Debnath, B. E. Hirsch, S. R. Schrecke, M. Baik, P. J. Ortoleva, K. Raghavachari, A. H. Flood, and S. L. Tait
1/1/2018
Ionic manipulation of charge-transfer and photodynamics of [60]fullerene confined in pyrrolo-tetrathiafulvalene cage
S. Bähring, K. R. Larsen, M. Supur, K. A. Nielsen, T. Poulsen, K. Ohkubo, C. W. Marlatt, E. Miyazaki, K. Takimiya, A. H. Flood, S. Fukuzumi, and J. O. Jeppesen
1/1/2017
ProtoMD: A prototyping toolkit for multiscale molecular dynamics
E. Somogyi, A. A. Mansour, and P. J. Ortoleva
5/1/2016

View All Publications

Research Highlights

Ultrabright Fluorescent Organic Nanoparticles
Amar Flood (Indiana U.)
2/12/2021

Designing Materials to Revolutionize and Engineer our Future (DMREF)