| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381591 | Chemical Physics Letters | 2013 | 7 Pages |
Abstract
- Energy barriers for H2 release from XH3PH3, XÂ =Â B, Al are higher than bond energies.
- Small hydrides (borane, alane, galane) act as bifunctional catalysts for H2 release.
- Alane reduces the energy barrier for H2 release in BH3PH3 down to 20Â kcal/mol.
- In AlH3PH3Â +Â AlH3, the TS for H2 release is located even below the starting reactants.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Vinh Son Nguyen, D. Majumdar, Jerzy Leszczynski, Minh Tho Nguyen,