Showing 1 - 20 results of 287 for search '(( via ((site decrease) OR (step decrease)) ) OR ( ct ((larger decrease) OR (marked decrease)) ))', query time: 0.56s Refine Results
  1. 1
  2. 2
  3. 3
  4. 4
  5. 5
  6. 6
  7. 7
  8. 8
  9. 9
  10. 10
  11. 11
  12. 12
  13. 13

    How Do Zn<sup>2+</sup> Ions Promote Methane Activation on Zinc-Modified Zeolites? A Hybrid Quantum-Chemical Study by Zoya N. Lashchinskaya (8102741)

    Published 2025
    “…It was earlier established that Zn<sup>2+</sup> species loaded in zeolites promoted alkane C–H bond activation by Brønsted acid sites (BAS). It was found that the rate of H/D hydrogen exchange between alkane and zeolite BAS increased dramatically, and the activation barrier decreased for Zn<sup>2+</sup>-modified zeolite compared to H-form zeolite. …”
  14. 14
  15. 15
  16. 16
  17. 17
  18. 18

    Modeling the Shape and Stability of Co Nanoparticles as a Function of Size and Support Interactions through DFT Calculations and Monte Carlo Simulations by Enrico Sireci (12127349)

    Published 2025
    “…We make use of a lattice model where the energy of Co atoms is estimated based on their first-shell coordination number (CN), an approach that was validated via DFT calculations. We report a marked increase in step and kink sites at the expense of terraces with increasing particle size, which we linked to the experimentally observed increase in turnover frequency (TOF). …”
  19. 19
  20. 20