Research Article
Titanium as a Potential Addition for High-Capacity Hydrogen Storage Medium
Table 4
Comparison of SWNT and C6H6 supports for H2 adsorption on Ti.
| Support | C6H6 | SWNT [10] |
| preferred configuration | TiH2 + 3H2 | Ti + 4H2 | adsorption energy per H2 molecule | 0.23 eV | 0.54 eV | first dissociative H2 addition energy | 0.37 eV | 0.83 eV | Ti + 4H2: H–H distance | 0.82 Å | 0.84 Å |
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