Materials Literature
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We propose a theory for the effective interaction between soft dendritic molecules that is based on the shape of the monomer density profile of the macromolecules at infinite dilutions. By applying Flory-type arguments and making use of the experimentally measured density profiles, we derive a Gaussian effective inter…
The depletion interactions between two colloidal plates or between two colloidal spheres, induced by interacting polymers in a good solvent, are calculated theoretically and by computer simulations. A simple analytical theory is shown to be quantitatively accurate for the case of two plates. A related depletion potent…
The electronic behavior of gold nanoparticles (NPs) of ∼2 nm capped with dendrimer and thiol molecules was studied with Au L3,2-edge x-ray absorption near-edge structure (XANES). The results reveal the tunability of the d-electron distribution in the Au NPs by selective capping. That is, that the Au atoms in the NPs g…
We present ab initio pseudopotential--density-functional calculations for the electronic structure of the dilute magnetic semiconductor ${\mathrm{Mn}}_{x}{\mathrm{Ga}}_{1\ensuremath{-}x}\mathrm{N},$ with a realistic $x=0.063,$ in its ordered ferromagnetic phase. We find that the introduction of Mn results in the forma…
For a long time, hexagonal diamond has been formed only by static and shock wave compression of well-crystallized graphites. Here, we demonstrate that cubic diamond loses its structure stability and transforms to hexagonal diamond in massive. This transformation has been completed in nanoseconds under a shock wave com…
Previous first-principles calculations of the melting properties of Si, based on the local-density approximation (LDA) for electronic exchange-correlation energy, under-predict the melting temperature by ~ 20%. We present new first-principles results demonstrating that this problem is due to non-cancellation of exchan…
We investigate the strength of the coupling of the electronic states with the electromagnetic field in ZnO nanospheres, taking into account the retardation effect. We show that the coupling strength is particularly strong: the bulk properties are so enhanced that the radiative decay time can reach some 200 ps for quan…
The generalized mapping transformation technique is used to obtain the exact solution for the transverse Ising model on decorated planar lattices. Within this scheme, the basic thermodynamic quantities are calculated for different planar lattices with arbitrary spins of decorating atoms. The particular attention has b…
We report a detailed analysis of the optical properties of single-wall carbon nanotubes (SWCNT's) with different mean diameters as produced by laser ablation. From a combined study of optical absorption, high-resolution electron energy-loss spectroscopy in transmission, and tight-binding calculations we were able to a…
In this work we deal with doubly decorated Ising-Heisenberg models on planar lattices. Applying the generalized decoration-iteration transformation we obtain exact results for the antiferromagnetic version of the model. The existence of a new quantum dimerized phase is predicted and its physical properties are studied…
Magnetic properties of the 1D mixed spin-1/2 and spin-S (S >1/2) transverse Ising model in the presence of an external longitudinal magnetic field are calculated exactly by the use of the generalised decoration-iteration mapping transformation. By assuming that only the spin-S atoms do interact with the transverse fie…
This paper describes the preparation of air and moisture stable octanol derivatized crystalline silicon nanoparticles by room temperature sodium naphthalenide reduction of silicon halides.
Electron paramagnetic resonance (EPR), photoluminescence, and infrared optical absorption have been used to investigate a ZnO crystal before and after a thermal anneal for 1 h in air at 900 °C. The sample was an undoped high quality crystal grown by the chemical vapor transport method. In addition to shallow donor imp…
Mass production of ZnO nanowires, nanoribbons, and needle-like rods has been achieved by a simple method of thermal evaporation of ZnO powders mixed with graphite. Metallic catalysts, carrying gases, and vacuum conditions are not necessary. Temperature is the critical experimental parameter for the formation of differ…
Oscillatory convection in viscoelastic ferromagnetic and dielectric liquids of the Rivlin-Ericksen, Maxwell and Oldroyd types is studied analytically by considering free-free, isothermal boundaries with idealized conditions on the magnetic / electric potential. The linear theory reveals the stabilizing nature of the s…
We synthesized three kinds of chromophores incorporating aromatic quinoline unit as a <TEX>$\pi-conjugated$</TEX> bridge in order to prepare more thermally stable nonlinear optical (NLO) chromophores than general stilbene unit. The NLO poly(methylmethacrylate) copolymer, polyimides, and polyester were successfully syn…
PDB Goodies is a web-based graphical user interface (GUI) to manipulate the Protein Data Bank file containing the three-dimensional atomic coordinates of protein structures. The program also allows users to save the manipulated three-dimensional atomic coordinate file on their local client system. These fragments are…
The competition between dimensional and domain effects for the packing of amphiphilic passivants on CdSe quantum dot (QD) surfaces is examined using temperature-dependent attenuated total reflection infrared spectroscopy. The results indicate that at very small particle sizes ( r < 22 Å) disordered packing of the orga…
In fluidized bed combustors, the harmful pollutants NO and N 2 O are formed from fuel-nitrogen (fuel-N). The complex homogeneous and heterogeneous reaction mechanisms determine the tradeoff between N 2, NO, and N 2 O from fuel-N conversion affected by the bed temperature, fuel characteristics, residence time, and many…
Arrhenius parameters, obtained with the blackbody infrared radiative dissociation technique, are reported for the dissociation of a series of gaseous protonated complexes composed of mutants of a single chain variable fragment (scFv) of the monoclonal antibody Se155-4 and three trisaccharide ligands. Hydrogen bonding…