Understanding Assembly Pathways of Conjugated Polymers, Small Molecules, and their Blends: A Multi-s
Abstract
The University of Arizona proposes a four-year multi-scale computational research project, to be carriedout in strong collaboration, with experimental groups at the Georgia Institute of Technology, University of Illinois Urbana-Champaign, and Purdue University, in, order to advance significantly our understanding of how (i) the chemical structure of the active components, solvents, and additive,s; (ii) the temperature dependent aggregation of the active components in solution; and (iii) the post-deposition processing steps,, combine to determine the eventual thin-film morphology and stability of binary and ternary active layersand impact device operation,. The results will aid in the design of materials and the determination of processing conditions for more efficient and stable organ,ic photovoltaic devices, which offers the possibility of lightweight, flexible, and shock-resistant mobile power generation during N,avy and Marine Corps operations.Rapid advancement of conjugated polymer-based opto-electronics is poisedto change how we generate en,ergy, control our environment, interact with machines, and maintain the security of our nation. The compatibility of organic opto-el,ectronics with solution-based additive manufacturing approaches represents a major advantage that promises agile and low-cost manufa,cturing at scale and on demand. However, a critical gap exists to attain high device performance duringscalable manufacturing such a,s solution printing. The printing process poses a highly complex environment coupling fluid flow, multiphase interface, and spatial, confinement; these factors act in synergy to drive polymer assembly far from equilibrium. The resulting thin film morphology and de,vice performance often significantly deviate from those prepared by spin coating the dominant lab-scale processing technique. Addin,g to the printing complexity is the ink composition. Besides conjugated polymer and solvent(s), the inkcan entail dopant molecules,, and/or a second and even a third electrically active conjugated-molecule component, and/or electrically inert processing additives., In fact, even the equilibrium structure of the ink solution is poorly understood, let alone the non-equilibrium assembly pathway it, traverses during printing.It is the overarching goal of our joint program, combining the theoretical/computational expertise of the, Arizona group with the experimental expertise of the Georgia Tech, Illinois, and Purdue groups, to elucidate the precise structures, of conjugated-polymer solutions at equilibrium, the non-equilibrium assembly pathways during solution printing, and their relations, with molecular design, thin-film morphology, and printed device performance.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 05, 2022
- Source ID
- N000142212178
Entities
People
- Jean-Luc Brédas
Organizations
- Office of Naval Research
- United States Navy
- University of Arizona