THE COMPUTATIONAL DESIGN OF OLIGOMERS FOR USE IN HIGH CONSTRAST BLACK ELECTROCHROMIC POLYMERS
Abstract
The goal of this proposed effort is to use theoretical calculations to identify electrochromic oligomeric structures that appear highly transmissive in their neutral state but switch to black upon oxidation. This work will be carried out as an active collaboration with the synthetic effort of the Reynolds group at Georgia Tech in the design of pure, blends, or copolymers for transmissive to high contrast black switching electrochromic materials. We will form a tight feedback loop between our group and the Reynolds group, such that the computational effort will narrow down the promising oligomers which will then be synthesized and characterized, then fed back to computation for continuous benchmarking. We will utilize a DFT/TDDFT set of treatments to identify the structures which have the most promise to generate neutral oligomers with little to no absorption in the visible thereby guaranteeing a nearly 100% transmissive material while the oxidized state appears black. Our approach will be to start with known materials the Reynolds group has already examined and apply modular changes to both the backbone as well as the sidechains.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 09, 2018
- Source ID
- FA95501810034
Entities
People
- Aimée L. Tomlinson
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of North Georgia