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).
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry