Lead-optimized design of metal–organic frameworks for trace SF <sub>6</sub> capture
A lead-optimized strategy identified an amine functionalized MOF for SF 6 capture at trace concentrations. Density functional theory studies show that the amino group on the linker lowers the pore binding site energy for effective SF 6 capture.
Authors
- Jackson Geary (ORCID: https://orcid.org/0000-0003-3489-2716)
- Nickolas Gantzler (ORCID: https://orcid.org/0000-0003-3832-4994)
- Dorina F. Sava Gallis (ORCID: https://orcid.org/0000-0001-6815-0302)
- Jason P. Sammon
- Jacob Harvey (ORCID: https://orcid.org/0000-0002-5188-9036)
- Ronald Sikma
- Raphael A. Reyes
- Caith E Mckeown
- Scott Bobbitt
Institutions
- Sandia National Laboratories (US)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-11-04
- DOI
- https://doi.org/10.1039/d5ta06940h
- Citations
- 2
- Primary Topic
- Metal-Organic Frameworks: Synthesis and Applications
- Type
- article
- Field-Weighted Citation Impact
- 1.07