Molecular modeling of proton transfer mechanisms, energetics and rates in zeolites and proton exchange membranes
We have modeled proton transfer using quantum chemical methods in important catalytic material namely Zeolite and polymeric systems to design anhydrous proton exchange membranes for fuel cells (charge transporting materials). In the H-Y Zeolite proton transfer study, we computed the total mean rate...
| Main Author: | |
|---|---|
| Language: | ENG |
| Published: |
ScholarWorks@UMass Amherst
2011
|
| Subjects: | |
| Online Access: | https://scholarworks.umass.edu/dissertations/AAI3465230 |