| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 71429 | Journal of Natural Gas Chemistry | 2011 | 8 Pages |
Abstract
The adsorption properties of atomic and molecular species on Ir4/MgO and Ir4/γ-Al2O3 have been systematically studied by means of planewave density functional theory (DFT) calculations using the periodic boundary conditions. The binding energies of these species were ordered as follows: H2O
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