Investigation of Potential Active Sites for the Methane Oxidation Reaction on Pd/SSZ-13
- Type: Conference Presentation
- Conference Type: AIChE Annual Meeting
- Presentation Date: November 18, 2020
- Duration: 15 minutes
- Skill Level: Intermediate
- PDHs: 0.30
Figure 1: (A) Relative energies of 25 distinct dual aluminum placements on SSZ-13 versus distance between aluminum atoms (energies referenced to the lowest energy structure). PBE optimized structures evaluated at single point with HSE06 functional for energy. (B) Dissociative adsorption of methane on a âbridgedâ dual palladium oxide site.
- Gannouni, A.; Albela, B.; Zina, M. S.; Bonneviot, L., Applied Catalysis A: General 2013, 464-465, 116-127.
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