Materials Literature
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C60 fullerides are uniquely flexible molecular materials that exhibit a rich variety of behavior, including superconductivity and magnetism in bulk compounds, novel electronic and orientational phases in thin films, and quantum transport in a single-C60 transistor. The complexity of fulleride properties stems from the…
The spin transfer torque (STT) can lead to steady precession of magnetization without any external applied field in magnetic spin valve where the magnetic layer have very different spin diffusion length. This effect is associated with an unusual angular dependence of the STT, called "wavy" (WAD-STT), predicted in the…
Exact-exchange energy density and energy density of a semilocal density functional approximation are two key ingredients for modeling the static correlation, a strongly nonlocal functional of the density, through a local hybrid functional. Because energy densities are not uniquely defined, the conventional (Slater) ex…
Gold(I) halides, including AuCl and AuBr, were employed for the first time as precursors in the synthesis of Au nanoparticles. The synthesis was accomplished by dissolving Au(I) halides in chloroform in the presence of alkylamines, followed by decomposition at 60 degrees C. The relative low stability of the Au(I) hali…
A new type of multifunctional silica-coated nanocomposites, detectable by their upconversion fluorescence and addressable by a magnetic field, was synthesized.
It was proposed that perfect invisibility cloaks can be constructed for hiding objects from electromagnetic illumination [J. B. Pendry, D. Schurig, and D. R. Smith, Science 312, 1780 (2006)10.1126/science.1125907]. The cylindrical cloaks experimentally demonstrated [D. Schurig, Science 314, 977 (2006)10.1126/science.1…
Molecular replacement is a powerful tool for the location of large models using structure-factor magnitudes alone. When phase information is available, it becomes possible to locate smaller fragments of the structure ranging in size from a few atoms to a single domain. The calculation is demanding, requiring a six-dim…
We report on the development and validation of a new methodology for the determination of anisotropic tracer diffusion and surface exchange coefficients of high quality epitaxial thin films in the two perpendicular directions (transverse and longitudinal), by the isotopic exchange technique. Measurements were performe…
A novel automation pipeline for macromolecular structure solution by molecular replacement is described. There is a special emphasis on the discovery and preparation of a large number of search models, all of which can be passed to the core molecular-replacement programs. For routine molecular-replacement problems, th…
The potential of graphene-based materials consisting of one or a few layers of graphite for integrated electronics originates from the large room-temperature carrier mobility in these systems (approx. 10,000 cm2/Vs). However, the realization of electronic devices such as field-effect transistors will require controlli…
Induced-charge electrophoresis (ICEP) has mostly been analyzed for asymmetric particles in an infinite fluid, but channel walls in real systems further break symmetry and lead to dielectrophoresis (DEP) in local field gradients. Zhao and Bau (Langmuir, \textbf{23}, 2007, pp 4053) recently predicted that a metal (ideal…
We report the co-assembly and adsorption properties of coacervate complexes made from polyelectrolyte-neutral block copolymers and oppositely charged nanocolloids. The nanocolloids put under scrutiny were ionic surfactant micelles and highly charged 7 nm cerium oxide (CeO2) nanoparticles. Static and dynamic light scat…
Usually microscopic electrostatic field around charged impurity ions is neglected when the ionization energy is concerned. The ionization energy is considered to be equal to that of a lonely impurity atom. Here the energy of the electrostatic field around charged impurity ions in semiconductor is taken into account. I…
Major ampullate (MAA) silks from a variety of spider species were collected by artificial silking that adjusted the samples to have similar breaking strains. Those silks are highly comparable in post-yield mechanical properties, but their supercontraction behaviors and initial moduli vary in large ranges and both corr…
Chemical chameleon: Two complementary approaches to emission color modulation are based on (Ln, P)-doped YVO4 nanoparticle systems. The emission wavelengths and intensity ratios can be controlled using different host–activator systems and dopant concentrations. This approach allows access to a wide range of colors (se…
Nanotechnology has generated tremendous hopes in recent years toward the design of advanced functional materials, especially in the bio-medical field. Nano-sized-materials such as magnetite nanoparticles display indeed fascinating physico-chemical properties that, if tuned properly, can be exploited to design new bio-…
There has been a resurgence of complex oxides of late owing to their ferroelectric and ferromagnetic properties. Although these properties had been recognized decades ago, the renewed interest stems from modern deposition techniques that can produce high quality materials and attractive proposed device concepts. In ad…
Phase-change materials are of immense importance for optical recording and computer memory, but the structure of the amorphous phases and the nature of the phase transition in the nanoscale bits pose continuing challenges. Massively parallel density functional simulations have been used to characterize the amorphous s…
Importance of pore curvature: A theoretical model is proposed for nanoporous carbon supercapacitors to replace the commonly used one for an electric double-layer capacitor (EDLC) on the basis of an electric double-cylinder capacitor (EDCC) for mesopores, which becomes an electric wire-in-cylinder capacitor (EWCC) for…
The number of macromolecular structures solved and deposited in the Protein Data Bank (PDB) is higher than 40 000. Using this information in macromolecular crystallography (MX) should in principle increase the efficiency of MX structure solution. This paper describes a molecular-replacement pipeline, BALBES, that make…