Materials Literature
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Raman scattering experiments have been performed on Na_xCoO_2 as function of temperature at the composition x=0.5 where a structural instability and a metal-insulator transition have been observed. Three additional phonon modes are observed compared to samples with larger x. An in-situ annealing study (T_max=550 K) wi…
The pseudobond approach offers a smooth connection at the quantum mechanical/molecular mechanical interface which passes through covalent bonds. It replaces the boundary atom of the environment part with a seven-valence-electron atom to form a pseudobond with the boundary atom of the active part [Y. Zhang, T. S. Lee,…
A new type of hierarchical structure, a core-shell structure with spherically aligned nanorods, was prepared via a simple room-temperature solution-based catalytic route in the case of alpha-MnO2.
We argue that many properties of the half-doped manganites may be understood in terms of a new two-(eg electron)-fluid description, which is energetically favorable at intermediate Jahn-Teller (JT) coupling. This emerges from a competition between canting of the core spins of Mn promoting mobile carriers and polaronic…
Angular-dependent channeling Rutherford backscattering spectroscopy (c-RBS) has been used to quantify the fraction of Cr atoms on substitutional, interstitial, and random sites in epitaxial Ga1−xCrxN films grown by reactive molecular-beam epitaxy. The morphology of these films and correlation with their magnetic prope…
Thin films of iron and permalloy Ni80Fe20 were prepared using an Ar+N2 mixture with magnetron sputtering technique at ambient temperature. The nitrogen partial pressure, during sputtering process was varied in the range of 0 to 100%, keeping the total gas flow at constant. At lower nitrogen pressures RN2<33% both Fe a…
With discrete states, several-atom Ag(n) nanoclusters exhibit molecule-like behavior with strong visible fluorescence and robust optical properties. This new class of single-molecule fluorophores has been created and electrically contacted in thin films to produce the first electroluminescent single molecules. A direc…
We describe the design of a magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly insulating ferromagnets are circumvented by incorporating the magnetism through ferrimagnetic beha…
Protein-protein interactions are essential for life. Yet, our understanding of the general principles governing binding is not complete. In the present study, we show that the interface between proteins is built in a modular fashion; each module is comprised of a number of closely interacting residues, with few intera…
Micropatterned fluoroalkylsilane monolayer surfaces with liquidphilic/liquidphobic area (line width 1-20 microm) were prepared with few defects by vacuum ultraviolet (VUV) photolithography. The anisotropic wetting of a macroscopic droplet with a 0.5-5 mm diameter on the micropatterned surfaces was investigated. The st…
Peroxotungstate immobilized on ionic liquid-modified SiO2 is capable of heterogeneously epoxidizing a wide range of olefins with the maintenance of the catalytic activity of homogeneous analogue. The epoxidation was immediately stopped by the removal of the catalyst, and no tungsten species could be found in the filtr…
We report the synthesis of single-crystalline VO2 nanowires with rectangular cross sections using a vapor transport method. These nanowires have typical diameters of 60 (+/-30) nm and lengths up to >10 mum. Electron microscopy and diffraction measurements show that the VO2 nanowires are single crystalline and exhibit…
The plastic deformation of nanoporous Au under compressive stress was studied by depth-sensing nanoindentation combined with scanning electron microscope characterization. The nanoporous Au investigated in the current study exhibits a relative density of 42%, and a spongelike morphology of interconnecting ligaments on…
Transport properties have been studied for a perovskite heterojunction consisting of SrRuO3 (SRO) film epitaxially grown on SrTi0.99Nb0.01O3 (Nb:STO) substrate. The SRO/Nb:STO interface exhibits rectifying current–voltage (I–V) characteristics agreeing with those of a Schottky junction composed of a deep work-function…
A simple, one-step method for fabricating single biologically functionalized conducting-polymer (polypyrrole) nanowire on prepatterned electrodes and its application to biosensing was demonstrated. The biologically functionalized polypyrrole was formed by the electropolymerization of an aqueous solution of pyrrole mon…
We investigated newly designed photo acid generators (PAGs) based on a layer-controlled supramolecular polymer N-substituted with camphor or toluenesulfonyloxy units to achieve better conductivity of polyaniline array patterns via microstructure control. Synthesis and properties of these PAGs containing sulfonyloxymal…
The conformational space of the most biologically significant backbone folds of a suitable methionine peptide model was explored by density functional computational method. Using a medium [6-31G(d)] and a larger basis set [6-311++G(2d,2p)], the systematic exploration of low-energy backbone structures restricted for th…
Dissolution and removal of photoresist films is performed numerous times during the fabrication of electronic, optical, and mechanical devices and integrated circuits. Information regarding changes in refractive index and film thickness is of interest for the design and modeling of such processes. Spectroscopic reflec…
We review how molecular dynamics computer simulations are providing a comprehensive picture of the behaviour of silica, as modelled by the van Beest-Kramer-van Santen (BKS) potential. We have recently evaluated a number of key properties of this model system: the phase diagram, including melting lines of three crystal…
A tunable blue to blue-white phosphor was prepared with a solid-state reaction method by varying the composition concentration of source materials. The decomposition temperature and weight loss of and were evaluated by thermogravimetric analysis. The deficiency of Ga in phosphor can be compensated by increasing the mo…