Materials Literature
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Gold–sulfur bonding is investigated theoretically using a variety of electronic structure methods, including the Becke–Perdew semilocal density functional, the B3LYP hybrid approach, the Hartree–Fock method, and the post Hartree–Fock approaches MP2 and QCISD(T). Particular emphasis is given to adsorption structure and…
Two procedures are presented which allow the homogeneous incorporation of silica-coated gold nanoparticles within transparent silica gels. Both UV−visible absorption spectra and transmission electron microscopy show that there is no aggregation of the metal particles during sol−gel transition. The optical properties o…
The surface structure of gold nanorods (NRs) capped with cationic surfactants in water was studied by FTIR, thermogravimetric analysis (TGA), and transmission electron microscopy (TEM). For gold nanorods, the FTIR results show the formation of new bands, which indicate binding of the surfactant headgroup to the surfac…
A novel class of complex metal oxides that have potential as transparent conducting oxides (TCOs) for the electromagnetic-interference (EMI) shielding on IR-seeker windows and missile domes has been identified. These complex metal oxides exhibit the rhombohedral (R3m) crystalline structure of naturally occurring delaf…
The crystalline and microphase-separated morphology of semicrystalline block copolymers are compared in bulk (0.5−1 mm) and thin films (5−0 μm), as characterized by transmission electron microscopy (TEM) and polarized light microscopy (PLM). Bulk films of a triblock copolymer of polystyrene, polybutadiene, and polycap…
Chemical Vapour Deposited (CVD) Diamond can now be fabricated in the form of large planar windows (up to 120mm in diameter and 2mm thick) and hemispherical domes (up to 70mm in diameter) suitable for operation as ultra-robust, aero-space infrared (IR) apertures. This paper describes the optical and IR properties of su…
A considerable amount of research has been directed towards the mechanism of oxidation of graphite as a model reaction system and because of its industrial importance. A number of recent studies have been concerned with ab initio molecular orbital calculations on graphite including model chemistry and the reactions wi…
An indented nanostructure was formed on the surface of azobenzene-functionalized polyurethane thin films by the induced migration of polymer chains using the optical near field generated around polystyrene (PS) spheres. The PS spheres, which had a diameter ranging from 98 to 990 nm, were arranged on the surface of a p…
The oxidation reactions of all of the lanthanide cations (except Pm + ) with N 2 O and O 2 have been investigated using the inductively coupled plasma selected-ion flow tube (ICP/SIFT) technique. Lanthanide cations were generated in an inductively coupled plasma (ICP) ion source. Observations are reported for the reac…
Keggin heteropolyanions [XM(12)O(40)](n-) have various isomeric structures, alpha and beta being the most common. Conventionally, the alpha structure appears to be the most stable, but calculations carried out at the DFT level for X = P(V), Si(IV), Al(III), As(V), Ge(IV), and Ga(III) and M = W(VI) and Mo(VI) show that…
We calculated the Madelung energies of both the ground state and excited states in tetrathiafulvalene - p-chloranil (TTF-CA) by taking into account intramolecular charge distribution. The distribution is found to be significant in the neutral-ionic (NI) transition. In the ionic phase, the Madelung energy depends more…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTGas-Phase Catalytic Oxidation of CO by Au2-Hannu Häkkinen and Uzi LandmanView Author Information School of Physics Georgia Institute of Technology Atlanta, Georgia 30332-0430 Cite this: J. Am. Chem. Soc. 2001, 123, 39, 9704–9705Publication Date (Web):September 7, 2001P…
Synchrotron-based high-resolution photoemission, X-ray absorption near-edge spectroscopy, and first-principles density functional (DF) slab calculations were used to study the interaction of NO(2) with a TiO(2)(110) single crystal and powders of titania. The main product of the adsorption of NO(2) on TiO(2)(110) is su…
The transition between four- and six-coordinate structures in CdSe nanocrystals displays simple transition kinetics as compared with the extended solid, and we determined activation volumes from the pressure dependence of the relaxation times. Our measurements indicate that the transformation takes place by a nucleati…
We propose a heuristic explanation for the numerous non-close-packed crystal structures observed in various colloidal systems. By developing an analogy between soap froths and the soft coronas of fuzzy colloids, we provide a geometrical interpretation of the free energy of soft spheres. Within this picture, we show th…
The synthetic routes and materials properties of polypropylene/montmorillonite nanocomposites are reviewed. The nanocomposite formation is achieved in two ways: either by using functionalized polypropylenes and common organo-montmorillonites, or by using neat/unmodified polypropylene and a semi-fluorinated organic mod…
The influence of modifications at the benzylidene protection group on the gelation ability of 1-O-methyl-4,6-O-benzylidene-monosaccharides was investigated. For α-D-glucose and α-D-mannose the ability for self-aggregation was found to be significantly extended by the introduction of a p-nitro-substituent. As a result,…
Equilibrium solubility, the profile and the rate of ibuprofen dissolution in solutions of sodium dodecyl sulfate, Tween 60 and Brij 35 were studied. It was found that the solubility of ibuprofen was enhanced by the formed micellar system. The size and shape of formed micelles depended on the used particular surfactant…
Infrared reflection-absorption spectra of ${\mathrm{TiO}}_{2}$ thin films deposited by plasma-enhanced chemical vapor deposition onto aluminum and by a sol-gel process onto platinum were obtained using s- and p-polarized light and oblique incidence angles. Prominent bands with variable reflection minima position and l…
Surface Brillouin scattering technique has been used to study the elastic properties of superhard amorphous carbon, synthesized from ${\mathrm{C}}_{60}$ under high pressure (13--13.5 GPa) and temperature $(900\ifmmode\pm\else\textpm\fi{}100\ifmmode^\circ\else\textdegree\fi{}\mathrm{C}).$ This is the first reliable det…