| About this Abstract |
| Meeting |
Materials Science & Technology 2020
|
| Symposium
|
Synthesis, Characterization, Modeling and Applications of Functional Porous Materials
|
| Presentation Title |
Porous Crystalline Porphyrinic Structures for Functional Materials Applications |
| Author(s) |
Lawrence P Cook, Greg A Brewer, Daniel W Siderius, Winnie K. Wong-Ng |
| On-Site Speaker (Planned) |
Lawrence P Cook |
| Abstract Scope |
Crystalline porphyrins comprise a group of more than 8000 compounds, several with relatively open structures which can accommodate various ions and molecules as guests. Such porphyrin hosts, although they are molecular crystals, can have relatively good thermal and chemical stability, in addition to being intrinsically semiconductive at the molecular level. In this paper, we describe our progress in research aimed at the discovery, by data-mining, of candidate porphyrinic structures with the required porosity for selected functional materials applications. Computational geometric characterization techniques are applied to estimate the surface area, porosity, pore volume, and local pore sizes from deposited crystallographic information, allowing for synthesis-free estimation of material performance characteristics. |