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Midcareer, Computationally Designed: MOF for Ambient O, Separations from Air. (TRL 1-7...)
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Classroom Contents
Design, Realization, and Applications of Gas and Ion Separation Materials
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- 1 AVS e-Talk Series
- 2 Disclaimers & Copyright
- 3 Nanoporous Gas Adsorption Materials
- 4 Background: Nanoscale Materials for bulk scale applications
- 5 Early Career, Geo-Inspired: CSTS for Rad Ion High Selectivity and Capture (TRL 1-9)
- 6 Midcareer, Computationally Designed: MOF for Ambient O, Separations from Air. (TRL 1-7...)
- 7 Computationally Driven, Experimentally Validated, Rapid Materials Discovery.
- 8 Y-DOBDC: IR and thermal data showing nanopore adsorption of NO, species
- 9 Emission data per unique metal centers, Quenching with NO, adsorption
- 10 Use of DFT modeling to explain structure-property UNCAGE/ME relationships of RE-DOBDC MOF
- 11 Binding energies calculated indicating framework connectivity defines preferential gas binding
- 12 III. Enhanced Framework Stability via Cluster Fluorination
- 13 Calculated Changes of Fluorine incorporation into MOF Structures
- 14 19F Experiments on Y-DOBDC
- 15 F-cluster in Y-DOBDC MOFs: no anticipated effect on Acid Gas Binding Energies and MOF Selectivities
- 16 Custom Test Fixtures for Multiple & Simultaneous Long-Term Exposures and Electrical Testing
- 17 RE-DOBDC MOF: Conclusions, Highlights and Future Research
- 18 Questions? Thank you
- 19 Technical Meetings (cont.)
- 20 REMINDER
