Materials Literature
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Density functional theory is used to investigate the complexation ability of dendrimer outer pockets--in both tertiary amine protonated and unprotonated scenarios--toward molecular guests, particularly tetrachloroplatinate(II) and its mono- and diaquated derivatives as well as competing counterions. The effect of the…
The mechanisms of the reactions of W and W+ with COx (x=1, 2) were studied at the CCSD(T)/[SDD+6-311G(d)]//B3LYP/[SDD+6-31G(d)] level of theory. It was shown that the gas-phase reaction of W with CO2 proceeds with a negligible barrier via an insertion pathway, W(7S)+CO2(1A1)-->W(eta2-OCO)(6A')-->OW(eta1-CO)(1A)-->WO (…
We report an efficient diode-pumped Nd-doped Gadolinium gallium garnet (GGG) continuous-wave (CW) laser operating at 938 nm. Laser action of 1.6at.% Nd-doped GGG crystals with different lengths and temperatures are also investigated. The maximum output power of 620 mW is obtained at the incident pump power of 5.0 W wi…
OCEANA, a new genetic algorithm-based program for structure elucidation from non-indexed X-ray powder diffraction data, uses Lamarckian evolution to search for the best molecular position and orientation over a range of cell parameters for a given space group. As OCEANA does not require an indexed powder pattern, it i…
Abstract The crystal structure of a thiophene/phenylene co-oligomer of 2,5-bis(4′-methoxybiphenyl-4-yl)thiophene has been investigated. The crystals are orthorhombic with space group Cmc21. The crystal structure is characterized by that the molecular long axis is rigorously perpendicular to the bottom crystal plane (t…
Nylon-0,2 was prepared from hydrazine hydrate and phenyl oxalate in dimethyl sulfoxide in the presence of lithium chloride. Nylon-0,2 was decomposed rapidly by the action of oxidants such as sodium hypochlorite and bromine; nylon-0,2, however, is stable to oxygen. The products of the oxidative degradation were only ga…
The present work examines the chemical absorption of carbon dioxide (CO 2 ) gas in aqueous calcium hydroxide (Ca(OH) 2 ) slurries, which leads to the precipitation of calcium carbonate. Carbonation of the Ca(OH) 2 slurry is an important method for the industrial manufacture of precipitated calcium carbonate (PCC), whe…
The determination of the crystal orientation of regenerated cellulose fibers produced under different drawing regimes is presented. Orientation is determined by using wide-angle X-ray diffraction from a synchrotron source and by measuring the azimuthal width of equatorial reflections. The orientation parameter <sin2>…
Superoxide species were detected on activated carbon (AC) after H 2 treatment at high temperatures (>300 °C) and subsequent oxygen adsorption at 80 °C. The introduction of Ag onto the carbon surface promoted the formation of superoxide species. For Ag/AC catalysts, the superoxide species may be able to spill over from…
Octahedral CdS hollow microcages were synthesized on the basis of the ion interface reaction process by using CdMoO 4 crystals as in situ sacrificial templates. The products were characterized by X-ray powder diffraction, transmission electron microscopy, field-emission scanning electron microscopy, and a Brunauer−Emm…
Abstract Submicron‐scaled cagelike polymer microspheres with hollow core/porous shell were synthesized by self‐assembling of sulfonated polystyrene (PS) latex particles at monomer droplets interface. The swelling of the PS latex particles by the oil phase provided a driving force to develop the hollow core. The latex…
The rate of the selective catalytic reduction of NO with ammonia (NH 3 −SCR) on Ag/Al 2 O 3 at 473 K increased by a factor of 630, when H 2 (1%) was added to the reaction gas mixture. The mechanistic cause of this dramatic activity improvement was investigated by kinetic and spectroscopic studies. Kinetic studies indi…
We consider single two-dimensional aggregates containing glass particles trapped at a water/oil or water/air interface. Two modes for aggregate break-up are observed: break-up by fragmentation into a few parts and break-up by erosion of single particles. We have studied the critical shear rate for these modes as a fun…
The demonstration of stereoselective habit modification in molecular crystals using “tailor-made” (or structurally related) additives, over the last two decades, has been a milestone in understanding the phenomenon of molecular recognition at crystal interfaces. The centrosymmetric α-glycine crystal has provided a cla…
We report on photon-assisted tunneling (PAT) experiments in a carbon nanotube quantum dot using microwave frequencies between 20 and 60 GHz. In addition to the basic PAT effect, revealed by the appearance of two extra resonances in the current through the dot, we use PAT for spectroscopy of excited states. The experim…
A room temperature, template-free, wet chemical synthesis of ceria nanoparticles and their long term ageing characteristics are reported. High resolution transmission electron microscopy and UV-visible spectroscopy techniques are used to observe the variation in size, structure and oxidation state, respectively as a f…
The reactions of CO, NO, and NO with CO have been studied on Pt, Rh, and bimetallic Pt−Rh clusters deposited on TiO 2 (110). The following four cluster surfaces were investigated: 4 ML of Rh, 4 ML of Pt, 2 ML of Rh + 2 ML of Pt (Rh + Pt), and 2 ML of Pt + 2 ML of Rh (Pt + Rh). Scanning tunneling microscopy studies dem…
Heat treatment of various compositions of AgNO(3)-doped polyvinylpyrrolidone (PVP) composite nanofibres fabricated by electrospinning produced two kinds of silver species: (i) Ag nanoparticles dispersed in PVP nanofibres, when the loading of AgNO(3) was 5 wt%, and (ii) a net-like silver nanofibre film when the loading…
Cyclic voltammetry on the octahedral rhodium clusters with 12 bridging hydride ligands, [Rh6(PR3)6H12][BArF4]2 (R = Cy Cy-[H12]2+, R = iPr iPr-[H12]2+; [BArF4]- = [B{C6H3(CF3)2}4]-) reveals four potentially accessible redox states: [Rh6(PR3)6H12]0/1+/2+/3+. Chemical oxidation did not produce stable species, but reduct…
Colloidal particles that interact through strong, short-range, secondary attractions in liquids form irreversible "slippery" bonds that are not shear-rigid. Through event-driven simulations of slippery attractive spheres, we show that space-filling fractal clusters still emerge from the process of "slippery" diffusion…