Dynamics of Nanoscale Self-Assembled Porous Materials
Abstract
(a) Research Objectives The goal of this research program is to gain mechanistic understanding of the dynamics and assembly of porous, self-assembled materials, specifically metal-organic frameworks (MOFs). A variety of in situ transmission electron microscopy (TEM) techniques including environmental (ETEM), liquid cell (LCTEM), and other related methods will allow for the study of these materials in real time. These in situ TEM methods are highly innovative and cutting-edge, such that the methods developed and used in this program will enable the study of other porous materials. The data obtained in these experiments will be performed in parallel with theoretical simulations to identify the structure of the materials, determine molecular driving forces, and elucidate underlying molecular mechanisms. (b) Methods and Specific Aims The methods to be employed in this program involve the use of in situ TEM methods to monitor the nucleation, growth, and phase transitions of MOFs and polyMOFs. These methods are suitable for the proposed studies and will allow us to achieve the following specific aims: 1. Specific Aim 1. To observe and theoretically model the formation of MOFs. 2. Specific Aim 2. To observe and develop theoretical models for the expansion of MOFs by postsynthetic exchange (PSE). 3. Specific Aim 3. To observe and develop theoretical models for the formation and morphology of polyMOFs. (c) Significance of Proposed Activities The proposed initiative will focus on the fundamental science around MOFs to better understand growth, postsynthetic exchange processes, and the formation of polymer hybrids (i.e. polyMOFs). MOFs show great potential as advanced materials. They have been heavily investigated as sorbents for gases, supports for catalysts, and for use as porous conductors. The use of advanced in situ TEM methods will permit characterization of these materials in real time with unprecedented resolution. The team we have assembled has is interdisciplinary, with a strong track record of collaboration and publication together, using both theory and experiment. This approach has so far provided for a productive research team focused on the development of new methods, and new porous materials. Ultimately, the experimental and theoretical methods developed in this program will enable our team to study other, high-value porous materials, including covalent-organic frameworks (COFs), porous aromatic frameworks (PAFs), and polymers of intrinsic microporosity (PIMs).
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Feb 14, 2019
- Source ID
- W911NF1810359
Entities
People
- Seth M Cohen
Organizations
- Army Contracting Command
- United States Army
- University of California, San Diego