Abstract
The formation of water from H and O adatoms on Rh and Pt surfaces was examined using the density functional theory based on first-principles calculations. The calculated energy barrier to OH formation on Rh(111) from adsorbed H and O atoms was 22 kcal/mol, which was in good agreement with Hickman and Schmidt results. On the other hand, the energy barrier to OH on Pt(111) was 18 kcal/mo, which was 4 kcal below than on Rh(111).
Original language | English (US) |
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Pages (from-to) | 9986-9995 |
Number of pages | 10 |
Journal | Journal of Chemical Physics |
Volume | 112 |
Issue number | 22 |
DOIs | |
State | Published - 2000 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry