Materials Literature
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Lowe-Andersen (LA) temperature controlling method [C. P. Lowe, Europhys. Lett. 47, 145 (1999)] is applied in a series of mesoscopic polymer simulations to test its validity and efficiency. The method is an alternative for dissipative particle dynamics simulation (DPD) technique which is also Galilean invariant. It sho…
Hyperbranched poly(phenylene sulfide) was prepared from 3,4-dichlorobenzenethiol. This monomer was treated with potassium carbonate in an amide solvent, either N, N -dimethylformamide (DMF) or N -methylpyrrolidone (NMP). Polymerization for 24 h at 100 °C in DMF gave a polymer with a M w of 17 kD and a polydispersity o…
The halogen-terminated Si(111) (Si-X, X = Cl, Br) surfaces contain effective initiators for surface-initiated atom transfer radical polymerization. Well-defined polymer-Si hybrids, consisting of covalently tethered (Si-C bonded) functional polymer brushes, can be prepared directly from the Si-X surfaces.
Multilayers consisting of the periodic repetition of two layers with different refractive indices (nH and nL) may have an omnidirectional band gap, the width of which depends on the incidence medium and on the refractive index ratio nH∕nL. In porous silicon, this ratio is limited by the material and fabrication charac…
Perovskite solid solutions along the NaNbO 3 −SrTiO 3 join have been synthesized using the sol−gel and solid-state sintering methods. XRD analysis indicates that as Sr+Ti content increases, the perovskite structure changes from the orthorhombic to tetragonal and to cubic. The enthalpies of formation from the constitue…
Abstract A methodology for simple multiscale modeling of mechanical properties of polymer nanocomposites has been developed. This methodology consists of three steps: (1) obtaining from molecular dynamics simulations the viscoelastic properties of the bulklike polymer and approximating the position‐dependent shear mod…
Five new d0 transition metal iodates, BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O, have been synthesized by hydrothermal methods using Ba(OH)2.8H2O, La2O3, K2CO3, TiO2, V2O5, MoO3, and HIO3 as reagents. The structures of these compounds were determined by single-crystal X-ray diffra…
Polycarbonates (1) are an interesting and commercially successful class of polymers. Known for useful properties such as high heat capability, optical clarity, and incredible toughness, polycarbonates continue to generate academic interest as well as finding new avenues for commercial utilization. Although aromatic po…
Abstract Two different gel‐type resins have been prepared by suspension polymerization using 2 wt % divinylbenzene (DVB) with either p ‐vinylbenzyl chloride (pVBC) or a mixture of VBC isomers (∼ 70% m‐; ∼ 30% p‐). Significant difference in the chlorine content was observed, which was attributed to a more favored hydro…
We have developed fully integrated nanotube composite materials through the functionalization of multiwall carbon nanotubes (MWCNTs) by covalently attaching ferritin protein molecules onto the surface of MWCNTs. The investigation of the thermomechanical behavior was performed by dynamic mechanical thermal analysis. Re…
Indium zinc oxide thin films were deposited by radio-frequency cosputtering and characterized by x-ray photoelectron spectroscopy (XPS), x-ray diffraction, energy dispersion x-ray spectrometry, Hall-effect measurement, and spectrophotometry techniques. All the films have zinc∕(zinc+indium) atomic ratio (define as M ra…
Molecular lamps: Analogously to a lamp with a light bulb, a switch, and a plug, the fluorescent ON state of dyad 1 can be blocked by other means besides the light switch (“removing the plug”). By using flavin as a redox unit and thermal or UV-activated thiol/disulfide redox chemistry, one can switch between the oxidiz…
The coupled effect of a homemade nickel di-dodecyl sulfate precursor and a complexing base leads to beta-Ni(OH)(2) "stack of pancakes" morphology. The mean diameter and thickness of the stacks are around 300 and 200 nm, respectively. Moreover, the amount of ammonia not only monitors crystalline structure but also the…
Solution and refinement of the crystal structure of fac − Ir(ppy) 3 is severely hampered by systematic twinning and pseudo-symmetry. fac − Ir(ppy) 3 crystallizes in the centrosymmetric space group P 3̄ as has been deduced from single-crystal structure refinement and investigations of the second harmonic generation (SH…
The first in-situ two-dimensional grazing incidence small-angle X-ray scattering (2D GISAXS) study on the evolution of nanopores during the thin film formation of porous dielectrics from composite films is reported. A soluble poly(methylsilsesquioxane) (PMSSQ) precursor and a four-armed poly(ε-caprolactone) (PCL4) wer…
Molecular dynamics simulations demonstrate that there are at least two classes of quasi-two-dimensional solid water into which liquid water confined between hydrophobic surfaces freezes spontaneously and whose hydrogen-bond networks are as fully connected as those of bulk ice. One of them is the monolayer ice and the…
Abstract We discuss a phenomenological, coarse‐grained simulation scheme, single‐chain‐in‐mean‐field (SCMF) simulation, for investigating the kinetics of phase separation in dense polymer blends and mixtures of polymers and solvents. In the spirit of self‐consistent‐field calculations, we approximate the interacting m…
The recent development of MBE techniques for growth of III-V ferromagnetic semiconductors has created materials with exceptional promise in spintronics, i.e. electronics that exploit carrier spin polarization. Among the most carefully studied of these materials is (Ga,Mn)As, in which meticulous optimization of growth…
The crystal structures of ternary Ln(DBM)(3)phen complexes (DBM = dibenzoylmethane, phen = 1,10-phenanthroline, and Ln = Nd, Yb) and their in situ syntheses via the sol-gel process are reported. The properties of the Ln(DBM)(3)phen complexes and their corresponding Ln(3+)/DBM/phen-co-doped luminescent hybrid gels obta…
THz quantum cascade lasers based on a novel buried cavity geometry are demonstrated by combining double-metal waveguides with proton implantation. Devices are realised with emission at 2.8 THz, displaying ultra low threshold currents of 19 mA at 4K in both pulsed and continuous wave operation. Thanks to the semiconduc…