Divide and protect: Capping gold nanoclusters with molecular gold-thiolate rings

Article Abstract:

Density functional theory calculations are used to examine phosphine- and thiolate-protected gold nanoclusters ([Au.sub.39]([P[H.sub.3].sub.14])[Cl.sub.6] and [Au.sub.38]([SC[H.sub.3].sub.24])). The calculated optical spectrum of this species features a large optical gap (about 1.5 eV) and a prominently peaked structure, correlating with experimental findings of 'molecular-like spectra' of thiolate-protected 1.1 nm gold nanoparticles.

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Gold Compounds, Density functionals, Density functional theory, Molecular spectroscopy

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Size control of semimetal bismuth nanoparticles and the UV-visible and IR absorption spectra

Article Abstract:

A study introduces a simple chemical method to synthesize semimetal bismuth nanoparticles in N,N-dimethylformamide (DMF) by reducing Bi(super 3+) with sodium borohydride (NaBH4) in the presence of poly(vinylpyrroldone) (PVP) at room temperature. The results indicate that PVP serves as an effective capping ligand, which prevents the nanoparticles from aggregation.

Infrared spectroscopy

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Water molecule adsorption properties on the BiVO4 (100) surface

Article Abstract:

The first principles molecular dynamics study of the adsorption properties of H2O molecules on the surface of BiVO4 is presented in order to investigate the promising candidate photocatalysts. The results have provided some good hints that can be used to pioneer new visible light response photocatalysts that is able to generate both O2 and H2.

Molecular dynamics, Adsorption

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