About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
|
Synthesis, Characterization, Modeling and Applications of Functional Porous Materials
|
Presentation Title |
Investigating Flexible Framework Materials by Combining Powder Diffraction and First-principles Calculations |
Author(s) |
Wei Zhou |
On-Site Speaker (Planned) |
Wei Zhou |
Abstract Scope |
Flexible framework materials are a fascinating subfamily of porous crystalline materials. The unique structural flexibility related to pore opening/closing makes them highly promising for many gas adsorption related applications. Single-crystal diffraction measurements, while highly valuable, are not always feasible in practice on these materials. In this talk, I will present our approach of combining x-ray or neutron powder diffraction and first-principles calculations to investigate flexible framework materials. Several recently studied flexible hydrogen-bonded organic frameworks and covalent organic frameworks will be discussed in detail. The insights obtained from our work provide useful guidance for the development of new flexible framework materials aiming for improved gas adsorption related performance. |