Gold atoms and dimers on amorphous SiO2: Calculation of optical properties and cavity ringdown spectroscopy measurements
Article Abstract:
The optical adsorption spectra of gold atoms and dimers deposited on amorphous silica in size-selected fashion is reported. 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 surface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Electronic structure of defect centers P1, P2, and P4 in P-doped SiO2
Article Abstract:
The ground-state properties of phosphorous-related dia- and paramagnetic point defects in P-doped silica and alpha-quartz are studied. Density functional theory calculations are performed to determine the structure, charge and spin distribution of the P1, P2, and P4 centers.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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Charging of Au atoms on TiO2 thin films from CO vibrational spectroscopy and DFT calculations
Article Abstract:
The gold binding sites and the occurrence of Au-TiO2 charge transfer were identified by measuring infrared spectra as a function of temperature and substrate preparation. The results were interpreted by slab model DFT calculations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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