| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5422953 | Surface Science | 2012 | 5 Pages |
Abstract
⺠DFT calculations on hydrogen diffusion on 23 close-packed transition metal surfaces. ⺠2D potential energy surfaces (PES) for the interaction of H with these metals. ⺠The PESs are compared with nudged elastic band calculations for H diffusion. ⺠The activation energies are low (from 0.04 eV for Pt to 0.28 eV for Y and Zr). ⺠The tunneling temperature is low (from 26 K for Au to 115 for Ti).
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Authors
Lilja Kristinsdóttir, Egill Skúlason,