Abstract
The effect of the rare earth elements and alloy composition on the hydrogenation properties and crystal structures of hydrides in Mg 2-xRE xNi 4 (RE = La, Pr, Nd, Sm, and Gd; x = 0.6 and 1.0) was investigated. All Mg 2-xRE xNi 4 alloys had a C15b Laves phase before hydrogenation. Mg 1.4RE 0.6Ni 4 (RE = Pr, Sm, and Gd) alloys were hydrogenated through one plateau to form Mg 1.4RE 0.6Ni 4H ∼3.6 while maintaining the C15b structure. Mg 1.0RE 1.0Ni 4 (RE = La, Pr, and Nd) alloys were hydrogenated to ∼1.0 H/M proceeding through two plateaus, and Mg 1.0RE 1.0Ni 4 (RE = Sm and Gd) alloys were hydrogenated to 0.6-0.7 H/M through one plateau. Mg 1.0RE 1.0Ni 4 alloys initially transformed into Mg 1.0RE 1.0Ni 4H ∼4 with an orthorhombic structure. In addition it was experimentally confirmed that Mg 1.0RE 1.0Ni 4H ∼4 with La, Pr, and Nd transformed into Mg 1.0RE 1.0Ni 4H ∼6 with a C15b structure, while no formation of Mg 1.0RE 1.0Ni 4H ∼6 (RE = Sm and Gd) was observed at 40 MPa at 250 K. Theoretical calculations suggest that Mg 1.0RE 1.0Ni 4H ∼4 with Sm and Gd also transform to Mg 1.0RE 1.0Ni 4H ∼6 at higher pressures than those used in our experiments (264 MPa for Mg 1.0Sm 1.0Ni 4 and 8.5 GPa for Mg 1.0Gd 1.0Ni 4 at 253 K). It was found that the hydrogenation properties and crystal structure of the hydrides in Mg 2-xRE xNi 4 are dependent on the alloy composition, i.e., the ratio of Mg to RE in the alloy phase, but independent of the choice of rare earth element.
| Original language | English |
|---|---|
| Pages (from-to) | 19156-19163 |
| Number of pages | 8 |
| Journal | Journal of Physical Chemistry C |
| Volume | 116 |
| Issue number | 36 |
| DOIs | |
| Publication status | Published - Sept 13 2012 |
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Energy(all)
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films