Cyclohexane dehydrogenation catalyst design based on spin polarization effects
We investigate and discuss spin polarization effects on cyclohexane (C 6H12) dehydrogenation using a Ni atom as a test catalyst, by performing total energy calculations based on the density functional theory (DFT). We compare the results with those of the well known catalyst Pt. We consider the proc...
Saved in:
Main Authors: | , , , , |
---|---|
Format: | text |
Published: |
Animo Repository
2004
|
Subjects: | |
Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/3807 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4809/type/native/viewcontent/035.html |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | De La Salle University |