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Density functional approximations fail to provide a consistent description of weak molecular interactions arising from small electron density overlaps. A simple remedy to correct for the missing interactions is to add a posteriori an attractive energy term ...
A novel approach based on the Stober method allows breaking of the symmetry of core-shell systems based on metallic core and metal oxide shell. By adjusting the proportion of the TiO2 precursor with regard to the silica precursor, different morphologies of ...
Synchrotron X-ray diffraction (XRD) measurements of Pb-Ti-O fine acicular crystals (nanowires) of the so-called PX-phase have been performed. The theta-2 theta patterns of the nanowires dispersed on substrates with two different geometries indicated that t ...
Diluted magnetic semiconductors (DMS), semiconductors in which a fraction of non-magnetic sites have been replaced with their magnetic counterparts, have been in the limelight of the scientific community since the turn of the 21st century. The interest in ...
The electrochemical oxidation of acidic solutions of phenol on a Ti/IrO2 anode has been investigated by cyclic voltammetry and bulk electrolysis in a single-compartment cell. In the potential region of oxygen evolution, anodic oxidation resulted in electro ...
We report on the acid ethylenedithiotetrathiafulvaleneamidoglycine (EDT-TTF-CO-NH-CH2-CO2H; 1; EDT-TTF=ethylenedithiotetrathiafulvalene) and the 1:1 adduct [(EDT-TTF)(center dot+) -CO-NH-CH2-(CO2H)(-)][(EDT-TTF)-CO-NH-CH2-(CO2H)]center dot CH3OH (2), a new ...
The reaction mechanism on the formation of the hydrosulfido complex [Re(SH)(CO)(3)(bipy)] via the reaction of [Re(OH)(CO)(3)(bipy)] with carbon disulfide was theoretically investigated at the B3LYP/6-31+G(d, p) (LANL2DZ+f for Re) level of theory taking int ...
A series of 10 different mesomorphic semidendrimeric tridentate ligands L5-L14 grafted with terminal cyanobiphenyl groups have been synthesized. Upon reaction with Ln(NO3)(3) (Ln = trivalent lanthanide), the central 2,6-bis(N-ethylbenzimidazol-2-yl)pyridin ...
Electrochemical oxidation of ammonia (NH3 and NH4+) on boron-doped diamond (BDD) electrode was studied using differential electrochemical mass-spectrometry (DEMS) and chronoamperometry. Electro-oxidation of ammonia induces inhibition of the oxygen evolutio ...
A new copper selenite chloride Cu-5(SeO3)(4)Cl-2 has been prepared by chemical vapor transport reactions. Its crystal structure was determined by single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group P2(1)/c with t ...
