Magnetized/charged MgH2-based hydrogen storage materials
We propose two methods to facilitate the Mg-H bond cleavage of magnesium hydride Mg H2. We found via density functional calculations that Mn (or Fe), when inserted between two Mg H2, exhibits a much higher catalytic activity than the other 3d transition metal elements because of the induced spin pol...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | text |
| Published: |
Animo Repository
2005
|
| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/3267 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Institution: | De La Salle University |
| Summary: | We propose two methods to facilitate the Mg-H bond cleavage of magnesium hydride Mg H2. We found via density functional calculations that Mn (or Fe), when inserted between two Mg H2, exhibits a much higher catalytic activity than the other 3d transition metal elements because of the induced spin polarization of the Mg H2. We also found that an ionized Mg H2 (Mg H2+) has considerably softer Mg-H bonds. We can thus significantly reduce the H2 desorption temperatures from Mg H2 to practical levels, ~400 K, by forming an alloy hydride with Mn (or Fe), and/or ionizing the Mg H2. © 2005 American Institute of Physics. |
|---|