Elucidating Correlation of Morphology with Charge Transport in Polymerized Ionic Liquids
Abstract
The rising energy needs of our society provide an impetus for research and development of energy conversion and storage devices. Polymer electrolytes play a key role in many of these devices. Polymerized ionic liquids (polyILs) are a relatively new class of electrolytes that exhibit the desirable mechanical characteristics of polymers coupled with the unique physico-chemical properties of molecular ionic liquids (ILs). The key chemical structure/morphology property relationships of polyILs are not well understood. Elucidating the role of molecular structure, morphology, and polymer dynamics on charge transport should lead to the development of novel materials exhibiting superior properties. To achieve this goal, a research approach involving multiscale simulations and some characterization experiments is proposed. Multiscale modeling including mesoscale dissipative particle dynamics (DPD) simulations classical molecular dynamics (MD) simulations and first principles based electronic structure calculations will be utilized to elucidate the chemical structure and interactions, morphology, and mechanisms of charge transfer in a select series of polyILs. Broadband dielectric spectroscopy (BDS), calorimetry, and neutron and X-ray scattering will be employed to systematically probe. These experiments will provide validation and interpretation of the theoretical results. The combination of simulations and experiments is expected to lead to a molecular-level understanding of the interplay between charge transport and morphology in these materials. We envisage that the detailed fundamental understanding of the impact of morphology on the transport of ions will enable development of more efficient polymer electrolytes suitable for use in portable power sources and devices of direct relevance to the U.S. Army.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Dec 04, 2018
- Source ID
- W911NF1610402
Entities
People
- Stephen J Paddison
Organizations
- Army Contracting Command
- United States Army
- University of Tennessee