Article
Mechanism of Cu deposition on the α−Al2O3 (0001) surface
Author/s | Fernández Sanz, Javier
Cruz Hernández, Norge |
Department | Universidad de Sevilla. Departamento de Química Física |
Publication Date | 2005-01-14 |
Deposit Date | 2017-07-18 |
Published in |
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Abstract | The growth mechanism of the Cu/α−Al2O3 (0001) interface is studied by first-principles molecular-dynamics simulations as a function of the transition-metal coverage (θ) and the temperature of the system. On the anhydrous ... The growth mechanism of the Cu/α−Al2O3 (0001) interface is studied by first-principles molecular-dynamics simulations as a function of the transition-metal coverage (θ) and the temperature of the system. On the anhydrous surface growth of Cu(0) 3D clusters is predicted. On the partially hydroxylated surface, a Cu(I) monolayer, relatively stable upon the temperature rising, is first observed (θ<1/3 ML). Increasing Cu loading leads to Cu(I)/Cu(0) mixed phases that when heated aggregate into 3D particles increasing the number of Cu(0) atoms, in agreement with the Auger spectra of Kelber et al. |
Funding agencies | Ministerio de Ciencia y Tecnología (MCYT). España |
Citation | Fernández Sanz, J. y Cruz Hernández, N. (2005). Mechanism of Cu deposition on the α−Al2O3 (0001) surface. Physical Review Letters, 94 (1), 016104-1-016104-4. |
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