Materials Literature
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ZnO doped with Co2+ has been prepared by a Pechini process and investigated in terms of crystallographic structure and UV-visible properties. We emphasize for the first time a splitting of the ZnO band gap in two "sub-band gaps" (never clearly mentioned until now) which is fully interpreted basing on the iono-covalent…
Structural and compositional changes in the Li−Mg−N−H system have been studied by probing the pressure composition isotherms at different hydrogenation/dehydrogenation stages. The results of X-ray diffractometry and Fourier transform infrared spectroscopy show that LiNH 2 and a ternary imide with the composition Li 2…
Abstract Single crystals of L‐Tyrosine hydrochloride were grown by using the submerged seed solution method. The grown crystals were characterized by using single crystal X‐ray diffraction. Functional groups and the modes of vibrations were identified by FTIR spectroscopy. The TGA/DTA studies showed that the crystal i…
We report a joint experimental/theoretical study of a series of group IV atom-doped gold anion clusters MAu 16 - (M = Si, Ge, Sn). We find that their global minima possess exohedral structures, which are dominated by the strong M−Au local interactions reminiscent of the MAu 4 clusters. In particular, a dangling Au ato…
A hydrophobic compound, which we name 3C18-Azo, containing an azo head and three 18 C alkyl chains has the capacity to form an amphiphile by capping it with a cyclodextrin (CD) by inclusion complexation. The amphiphilic compound self-assembles into vesicles in water. Optical switching of the assembly and disassembly i…
Review of techniques for characterizing piezoelectric/electrostrictive material for transducer applications.
An unprecedented asymmetrically modified bivanadium-capped Keggin polyoxometalate (POM), {AsMo12O40(VO)[VO(H2O)]}.[Cu(4,4'-bipy)]5.H2O (1) (bipy = bipyridine), has been hydrothermally synthesized and structurally characterized by a routine technique. Single-crystal X-ray diffraction analysis reveals that compound 1 ex…
In situ transmission electron microscopy observations are reported of the dynamic process of twin boundary migration in Cu with nanoscale twins. The experiment provides the first direct evidence of twin boundary migration via Shockley partial dislocation emission from the twin boundary/grain boundary intersections, an…
Implant-mediated fibrotic reactions are detrimental to the performance of encapsulated cells, implanted drug release devices, and sensors. To improve the implant function and longevity, recent research has emphasized the need for inducing alterations in cellular responses. Although material surface functional groups h…
The crystal structure of triclinic hen egg-white lysozyme (HEWL) has been refined against diffraction data extending to 0.65 A resolution measured at 100 K using synchrotron radiation. Refinement with anisotropic displacement parameters and with the removal of stereochemical restraints for the well ordered parts of th…
In this work, a chitosan/alginate multilayer film was constructed via layer-by-layer self-assembly and studied by in situ surface plasmon resonance monitoring and contact angle measurements. The results demonstrate that the surface composition of the self-assembled multilayer film can be simply tailored through pH con…
New devices may be possible once we understand the interface between oxide materials such as superconductors and ferromagnets.
We implement an adaptive mesh algorithm for calculating the space and time dependence of the atomic density field in microscopic material processes. Our numerical approach uses the systematic renormalization-group formulation of a phase-field crystal model of a pure material to provide the underlying equations for the…
Coupled and shape-tailored metallic nanoparticles are known to exhibit hybridized plasmon resonances. This Letter discuss the optical properties of a complementary system formed by overlapped nanovoid dimers buried in gold and filled with silica. This is an alternative route for plasmon engineering that benefits from…
A dynamical formulation of the dimer method for the determination of transition states is presented. The method is suited for ab-initio molecular dynamics using the fictitious Lagrangian formulation. The method has been applied to the con-rotatory ring opening of chloro-cyclo-butadiene, an example, where the applicati…
We have used polarized neutron reflectometry to study the structural and magnetic properties of the individual layers in a series of $\mathrm{Al}\mathrm{Ga}\mathrm{As}:\mathrm{Be}∕{\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x}\mathrm{As}∕\mathrm{Ga}\mathrm{As}∕{\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x}\mathr…
We use energy minimization principles to predict the structure of a decagonal quasicrystal–d(AlCoNi)–in the cobalt-rich phase. Monte Carlo methods are then used to explore configurations while relaxation and molecular dynamics are used to obtain a more realistic structure once a low-energy configuration has been found…
In equilibrium, graphene nanostrips, with hydrogens sp2-bonded to carbons along their zigzag edges, are expected to exhibit a spin-polarized ground state. However, in the presence of a ballistic current, we find that there exists a voltage range over which both spin-polarized and spin-unpolarized nanostrip states are…
A time-dependent density functional theory (TDDFT) approach coupled with 14 different exchange-correlation functionals was used for the prediction of vertical excitation energies in zinc phthalocyanine (PcZn). In general, the TDDFT approach provides a more accurate description of both visible and ultraviolet regions o…
The cytotoxicity and time-dependent membrane disruption by polypropylenimine dendrimer conjugates on cultured human umbilical vein endothelial cells (HUVEC) is reported. Fluorescently labeled derivatives of generation 5 polypropylenimine dendrimers were prepared via conversion of amines to acetamides or through the co…