DECODING NUCLEATION AND GROWTH IN ORGANIC SEMICONDUCTOR FILMS
Abstract
The objective of this proposal is to develop a multi-scale, first-principles understanding of the nucleation and growth of organic semiconductors. Optoelectronic devices where the active media are comprised of semi-conducting materials derived from ??-conjugated molecules and polymersoffer the possibility of light-weight, flexible, and shock-resistant electronics and mobile power generation during Navy and Marine Corps operations. When considering organic semiconductor films, the nucleation and growth of ??-conjugated molecules and polymers dictates the film morphology and topology that in part determines semiconductor performance during deviceoperation. While there is considerable knowledge concerning how to modulate the electronic and optical characteristics of individual molecules and polymers on the atomic-scale, and solution processing protocols have been developed to improve molecular- and microscopic-scale morphological and topological properties, there remain considerable disconnects in knowledgeacross these scales that prevents the synthetic control required to optimize semiconductor function. With a focus on organic semiconductors that are of interest for organic photovoltaic applications, this proposal will develop a multi-scale theoretical materials chemistry approach to make direct connections between the chemical composition and molecular architecture of ??-conjugatedmolecules and polymers, solution-based processing conditions, and classical models of the kinetics and thermodynamics of nucleation and growth. To accomplish this goal, we will: (i) determine the relationships between the structural rigidity of ??-conjugated polymer backbones and solutioncomposition on chain configurations and aggregation dynamics; (ii) establish connections between the chemical compositions and architectures of alkyl chains appended to ??-conjugated polymer backbones and their impact on chain structure and dynamics and interchain interactions; and (iii) develop a first-principles physical model for nucleation and growth of ??-conjugated molecularsystems. The fundamental understanding derived through this investigation will build a foundation for creating the capacity to synthetically control the multiscale morphology of organic semiconductors. Given the vast utility of organic semiconductors across a range of technologies of interest to the Navy ??? including field-effect transistors, light-emitting diodes, supercapacitors,batteries, bioelectronics, and electrochromics ???it is expected that the results of this program will have wide-ranging consequence beyond the photovoltaic applications considered here.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jul 10, 2018
- Source ID
- N000141812448
Entities
People
- Chad Risko
Organizations
- Office of Naval Research
- United States Navy
- University of Kentucky