Point defects on oxide surfaces are presumed to be preferential nucleation sites for supported metal clusters. Under typical growth conditions, dimers constitute the first step in island nucleation. Firstprinciples calculations on the formation of Pd dimers on regular and defect sites of the MgO(100) surface show that nucleation occurs with large dimer binding energies at divacancies and charged oxygen vacancies (F+ centers), while it is less favorable on steps and neutral F centers. The extensive database of defect trapping/attachment properties gives a firm basis to rationalize recent atomic-force microscopy findings and provides guidelines valid, in general, for ionic substrates
Giordano, L., DI VALENTIN, C., Goniakowski, J., Pacchioni, G. (2004). Nucleation of Pd dimers at defect sites of the MgO(100) surface. PHYSICAL REVIEW LETTERS, 92(9), 1-96105 [10.1103/PhysRevLett.92.096105].
Nucleation of Pd dimers at defect sites of the MgO(100) surface
GIORDANO, LIVIA;DI VALENTIN, CRISTIANA;PACCHIONI, GIANFRANCO
2004
Abstract
Point defects on oxide surfaces are presumed to be preferential nucleation sites for supported metal clusters. Under typical growth conditions, dimers constitute the first step in island nucleation. Firstprinciples calculations on the formation of Pd dimers on regular and defect sites of the MgO(100) surface show that nucleation occurs with large dimer binding energies at divacancies and charged oxygen vacancies (F+ centers), while it is less favorable on steps and neutral F centers. The extensive database of defect trapping/attachment properties gives a firm basis to rationalize recent atomic-force microscopy findings and provides guidelines valid, in general, for ionic substratesFile | Dimensione | Formato | |
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