We report on the optical absorption spectra of gold atoms and dimers deposited on amorphous silica in size-selected fashion. Experimental spectra were obtained by cavity ringdown spectroscopy. Issues on soft-landing, fragmentation, and thermal diffusion are discussed on the basis of the experimental results. in parallel, cluster and periodic supercell density functional theory (DFT) calculations were performed to model atoms and dimers trapped on various defect sites of amorphous silica. Optically allowed electronic transitions were calculated, and comparisons with the experimental spectra show that silicon dangling bonds {[equivalent to Si-center dot], nonbridging oxygen [equivalent to Si-O-center dot], and the silanolate group [equivalent to Si-O-] act as trapping centers for the gold particles. The results are not only important for understanding the chemical bonding of atoms and clusters on oxide surfaces, but they will also be of fundamental interest for photochemical studies of size-selected clusters on surfaces.}

DEL VITTO, A., Pacchioni, G., Lim, K., Rosch, N., Antonietti, J., Michalski, M., et al. (2005). Gold atoms and dimers on amorphous SiO2: Calculation of optical properties and cavity ringdown spectroscopy measurements. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 109(42), 19876-19884 [10.1021/jp054794l].

Gold atoms and dimers on amorphous SiO2: Calculation of optical properties and cavity ringdown spectroscopy measurements

DEL VITTO, ANNALISA;PACCHIONI, GIANFRANCO;
2005

Abstract

We report on the optical absorption spectra of gold atoms and dimers deposited on amorphous silica in size-selected fashion. Experimental spectra were obtained by cavity ringdown spectroscopy. Issues on soft-landing, fragmentation, and thermal diffusion are discussed on the basis of the experimental results. in parallel, cluster and periodic supercell density functional theory (DFT) calculations were performed to model atoms and dimers trapped on various defect sites of amorphous silica. Optically allowed electronic transitions were calculated, and comparisons with the experimental spectra show that silicon dangling bonds {[equivalent to Si-center dot], nonbridging oxygen [equivalent to Si-O-center dot], and the silanolate group [equivalent to Si-O-] act as trapping centers for the gold particles. The results are not only important for understanding the chemical bonding of atoms and clusters on oxide surfaces, but they will also be of fundamental interest for photochemical studies of size-selected clusters on surfaces.}
Articolo in rivista - Articolo scientifico
oxide surfaces, DFT
English
2005
109
42
19876
19884
none
DEL VITTO, A., Pacchioni, G., Lim, K., Rosch, N., Antonietti, J., Michalski, M., et al. (2005). Gold atoms and dimers on amorphous SiO2: Calculation of optical properties and cavity ringdown spectroscopy measurements. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 109(42), 19876-19884 [10.1021/jp054794l].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/45249
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