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Mechanism of Cu deposition on the α−Al2O3 (0001) surface

Opened Access Mechanism of Cu deposition on the α−Al2O3 (0001) surface

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Autor: Fernández Sanz, Javier
Cruz Hernández, Norge
Departamento: Universidad de Sevilla. Departamento de Química Física
Fecha: 2005-01-14
Publicado en: Physical Review Letters, 94 (1), 016104-1-016104-4.
Tipo de documento: Artículo
Resumen: 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.
Cita: 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.
Tamaño: 667.6Kb
Formato: PDF

URI: http://hdl.handle.net/11441/62630

DOI: 10.1103/PhysRevLett.94.016104

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