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), 096105 [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 substrates
Articolo in rivista - Articolo scientifico
Scientifica
difetti, cluster supportati, superfici di ossidi, DFT
English
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), 096105 [10.1103/PhysRevLett.92.096105].
Giordano, L; DI VALENTIN, C; Goniakowski, J; Pacchioni, G
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10281/13683
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