Materials Literature
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Novel supramolecular amphiphilic multiarm hyperbranched copolymers were successfully constructed through the molecular recognition of nucleobases. First, adenine-terminated H40-star-poly(ε-caprolactone)-adenine (H40-star-PCL-A) and uracil-terminated poly(ethylene glycol) (PEG-U) were successfully prepared. Due to the…
We map out the possible ordered states in bilayer graphene at the neutrality point by extending the previous renormalization group treatment of many-body instabilities to finite temperature, trigonal warping and externally applied perpendicular electric field. We were able to analytically determine all outcomes of the…
Reaction of [MoO(2)(η(2)-tBu(2)pz)(2)] with Schiff base ligands HL(X) (X = 1-5) gave molybdenum(VI) dioxo complexes of the type cis-[MoO(2)(L(X))(2)] as yellow to light brown solids in moderate to good yields. All ligands coordinate via its phenolic O atom and the imine N atom in a bidentate manner to the metal center…
A density functional theory study of substitutional carbon impurities in ZnO has been performed, using both the generalized gradient approximation (GGA) and a hybrid functional (HSE06) as exchange-correlation functional. It is found that the nonspinpolarized C${}_{\mathrm{Zn}}$ impurity is under almost all conditions…
This work revisits the physics giving rise to the carbon nanotube phonon bands in the midinfrared. Our measurements of doped and undoped samples of single-walled carbon nanotubes in Fourier transform infrared spectroscopy show that the phonon bands exhibit an asymmetric line shape and that their effective cross sectio…
Based on state-of-the-art density-functional-theory methods we calculate the stacking-fault energy of the prototypical high-Mn steel Fe-22.5 at$%$ Mn between 300 and 800 K. We estimate magnetic thermal excitations by considering longitudinal spin fluctuations. Our results demonstrate that the interplay between the mag…
We evaluate the efficiency of the pH replica exchange molecular dynamics (pH-REMD) method proposed by Itoh et al. (Proteins2011, 79, 3420-3436) by using it to predict the pKa values of the titratable residues in hen egg white lysozyme (HEWL). pKa values predicted using pH-REMD converge significantly faster than those…
This study provides a histological comparison of the mature regenerated and original tail of the lizard Anolis carolinensis. These data will provide a framework for future studies of this emerging model organism whose genome was recently published. This study demonstrated that the cartilage skeleton of the regenerated…
The V2O5–WO3/Fe2O3/TiO2 microsphere catalysts were prepared by an impregnation method. The catalytic test results showed that the Fe2O3 additives in V2O5–WO3/Fe2O3/TiO2 improved the NO decomposition in the temperature range of 200–400 °C. The characterization results indicated that the iron oxides mainly existed in th…
Superhydrophobicity of multiscale hierarchical structures and bouncing phenomenon of a water droplet on the superhydrophobic surface were studied. The multiscale hierarchical structures of carbon nanotube/ZnO and ZnO/carbon nanofiber were produced by the hydrothermal method. The multiscale hierarchical structure showe…
We present the observation of glass-like dynamic correlations of mobile mercury ions in the ionic conductor Cu2HgI4, detected in both NMR and nonlinear conductivity experiments. The results show that dynamic cooperativity appears in systems seemingly unrelated to glassy and soft arrested materials. A simple kinetic tw…
We present measurements of the growth rates of the principal facet surfaces of ice from water vapor as a function of supersaturation over the temperature range -2 C > T > -40 C. Our data are well described by a dislocation-free layer-nucleation model, parameterized by the attachment coefficient as a function of supers…
The filler size-dependent elastic stiffness of nanosilica (α-quartz)-reinforced polyimide(s-BPDA/1,3,4-APB) composites under the same volume fraction and grafting ratio conditions was investigated via molecular dynamics(MD) simulations. To enhance the interfacial load transfer efficiency, we treated the surface oxygen…
Ceria (CeO2) hollow fibers with Pt nanoparticles (Pt NPs) embedded in their inner surfaces were prepared by sequentially depositing Pt NPs and CeO2 sheaths on electrospun fibers of polystyrene, followed by calcination in air at 400 °C. Despite a relatively low Pt loading in this system, the turnover frequency for CO o…
Atomically controlled crystal growth of thin films has established foundations of nanotechnology aimed at the development of advanced functional devices. Crystallization under non-equilibrium conditions allows engineering of new materials with their atomically-flat interfaces in the heterostructures exhibiting novel p…
Complementary diffuse and inelastic synchrotron x-ray scattering measurements of lead zirconate-titanate single crystals with composition near the morphotropic phase boundary (x=0.475) are reported. In the temperature range 293 K<T<400 K a highly anisotropic quasielastic diffuse scattering is observed. Above 400 K thi…
We assess the performances of the transition voltage spectroscopy (TVS) method to determine the energies of the molecular orbitals involved in the electronic transport though molecular junctions. A large number of various molecular junctions made with alkyl chains but with different chemical structure of the electrode…
The Fe^{4+}-containing cubic perovskite phase SrFeO_3-x is of interest both for its high-temperature, oxygen-conducting properties as a solid oxide fuel cell component, and at low temperatures, where it exhibits a plethora of helical magnetic phases and a candidate Skyrmion lattice. However, a sequence of structural p…
We used tip-enhanced Raman spectroscopy to study the diameter-dependent Raman modes in a contacted carbon nanotube rope. We show that with the near-field tip enhancement a large number of nanotubes within a rope can be identified, even if the nanotube modes can not be distinguished in the far-field signal. Several met…
The perovskite crystal BaTiO3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response. The electrocaloric temperature change, \DeltaT, is calculated for different temperatures and externally applied electric fields. It is fo…