Multifunctional Exoskeletons from Robust and Responsive 2D Molecular Frameworks
Abstract
This project focuses on the assembly of multifunctional exoskeletons from layered 2D molecular frameworks. The 2D building blocks are bottom-up designed to ensure high strength and high functionality. A closed-loop process linking chemical design principles with a machine learning algorithm based on Bayesian optimization will accelerate discovery of new materials. Current engineering-based approaches that impart function to an inert structural material through the addition of coatings, components, and interfaces present limitations and challenges, including (i) increased design complexity and fabrication costs, (ii) difficulty in achieving highly optimized materials where strength and function are in synergy, and (iii) emergent/exceptional properties are rarely accessible. To overcome these technical challenges we will use rational chemical design principles, advanced gas-phase syntheses (e.g., chemical vapor deposition) to prepare high-quality materials, in situ characterization methods (e.g., reflection-absorption IR spectroscopy, Raman spectroscopy, and in situ transmission electron microscopy) to monitor material evolution in real-time, and machine learning to accelerate discovery of new 2D molecular frameworks and exoskeletons. Our specific objectives include: (1) define key chemical design principles and build a structured database of 2D molecular frameworks, (2) build high strength exoskeletons from designer 2D molecular frameworks, (3) build multifunctional exoskeletons based on 2D molecular frameworks with tunable reactive sites, tribological properties, and lattice constants, and (4) develop in-situ spectroscopies and machine learning algorithms to accelerate 2D molecular framework discovery and optimization. Our efforts have the potential to define frontier concepts and technologies for the preparation of strong, lightweight, and functional materials. The functional exoskeletons will have highly advanced features, including the ability to self-decontaminate, to adjust their friction characteristics, and to dynamically camouflage. Materials scientists, polymer chemists, condensed matter physicists, and energy researchers will reap the rewards of fundamental insights stemming from our work. The DoD and public will benefit from advanced technologies capable of protecting, cleaning, and cloaking surfaces and structures.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jul 28, 2023
- Source ID
- W911NF2110351
Entities
People
- Thomas J Kempa
Organizations
- Army Contracting Command
- Defense Advanced Research Projects Agency
- Johns Hopkins University