hydrous manganese dioxide nanoclusters are prepared by the oxidation of manganese (ii) ions with ammonium persulfate and used as a new sorbent for ag+ ion removal from aqueous medium. the synthesized compound is characterized using scanning electron microscopy, dynamic light scattering, energy dispersive analysis of x-rays, x-ray diffraction and bet surface measurements. scanning electron micro...

First-principle calculations were carried out to investigate the adsorption of CO over Cun nanoclusters. The structural, spectroscopic and electronic properties like optimized geometries, HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) energy levels, binding energy, adsorption energy, vibrational frequency and density of states (DOSs) of the p...

The atomic structure of inorganic nanoclusters obtained via a search for low lying minima on energy landscapes, or hypersurfaces, is reported for inorganic binary compounds: zinc oxide (ZnO)n, magnesium oxide (MgO)n, cadmium selenide (CdSe)n, and potassium fluoride (KF)n, where n = 1-12 formula units. The computational cost of each search is dominated by the effort to evaluate each sample point...

In this manuscript, density functional theory was used to explore structural, vibrational and optical properties of the (Sc2O3)n (n=1-5) cluster systems using DFT/B3LYP/LanL2DZ level of computation. Different stable isomers were obtained and numerous chemical parameters such as HOMO-LUMO gap, ionization potential and electron affinity were calculated successfully. Stability of the clusters was ...

Water-soluble, highly stable fluorescent Ag nanoclusters have been synthesized using a novel core/shell solid polymer (PMMA/PMMA-PMAA) nanoparticles as a novel template. The photoluminescence, ultraviolet-visible absorption, X-ray photoelectron (XPS), laser desorption time of flight mass spectroscopies (LDI-ToF-MS) and transmission electron microscopy (TEM) were carried out to characterize the ...

Gold nanoparticles have shown great prospective in cancer diagnosis and therapy, but they can not be metabolized and prefer to accumulate in liver and spleen due to their large size. The gold nanoclusters with small size can penetrate kidney tissue and have promise to decrease in vivo toxicity by renal clearance. In this work, we explore the in vivo renal clearance, biodistribution, and toxicit...

Ag nanoclusters consist of several to roughly a hundred atoms and possess sizes comparable to the Fermi wavelength of electrons; they exhibit molecule-like properties, including discrete electronic transitions and strong fluorescence. These nanoclusters are of significant interest because they provide the bridge between atomic and nanoparticle behavior in noble metals. Since the first observati...

It has been found that the bimetallic nanoclusters often have so-called core/shell structure if they are prepared by alcohol-reduction of two kinds of noble metal ions in the presence of a water-soluble polymer like poly(N-vinyl-2-pyrolidone)(PVP), and that the core/ shell structured bimetallic nanoclusters have much higher catalytic activity than the corresponding monometallic nanoclusters. He...