Materials Literature
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The present study describes the rational design and synthesis of amino acid-based amphiphilic hydrogelators, which were systemically fine-tuned at the head group to develop pH-responsive hydrogels. To understand the basic structural requirements of a low molecular weight amphiphilic hydrogelator, 10 analogous amphiphi…
Surface-enhanced infrared absorption spectroscopy (SEIRA) was used to examine the adsorption state of nitrogen monoxide (nitric oxide, NO) and the reduction of the adsorbed species. The SEIRA spectra gave two distinct bands at 1723-1733 and 1575-1607 cm-1 with an additional weak band at 1656-1676 cm-1 at 0.20 V, the f…
A general method to produce self-assembled metal oxides with hollow structures is developed by controlling the net redox potentials. Nanostructured CoOOH and CeO2 hollow microspheres have been successfully prepared by this method. The synthesized CoOOH hollow spheres are versatile precursors for nanomaterials of cobal…
Superhydrophobic surfaces were successfully prepared on Ti/Si substrates via the fabrication of conductive polyaniline (PANI) nanowire film. The PANI nanowire film was synthesized by electrodeposition of aniline into the pores of an anodic aluminum oxide (AAO) template on Ti/Si substrate followed by the removal of the…
A convenient and simple route to functionalized multiwall carbon nanotubes (MWNTs) using the reaction of the amine (NH) groups of polyethyleneimine (PEI) with MWNTs in N,N-dimethylformamide (DMF) at 50 degrees C is described. The product functionalized MWNTs (MWNT-NH-PEI) contain 6-8% by weight PEI based on elemental…
High degree of preservation of spin states during energy relaxation processes mediated by optical phonons is demonstrated in a single quantum dot. Optical-phonon resonance and relevant suppression of spin relaxation are clearly identified as dip structures in photoluminescence excitation spectra probed by the positive…
We report first-principles calculations on the normal and superconducting state of CaBe(x)Si(2-x) (x=1), in the framework of density functional theory for superconductors (SCDFT). CaBeSi is isostructural and isoelectronic to MgB2 and this makes possible a direct comparison of the electronic and vibrational properties…
Quantum-dot (QD) nanocrystals are promising fluorescent probes for multiplexed staining assays in biological applications. However, nonspecific QD binding to cellular membranes and proteins remains a limiting factor in detection sensitivity and specificity. Here we report a new class of hydroxyl (-OH)-coated QDs for m…
Single crystalline nanoneedles of polyaniline (PANI) and polypyrrole (PPY) were synthesized using an interfacial polymerization for the first time. The interfacial crystallization of conductive polymers at the liquid/liquid interface allowed PANI and PPY polymers to form single crystalline nanocrystals in a rice-like…
The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms depends on grasping the role of grain boundaries on dislocation motion. Here th…
The Kondo lattice antiferromagnet YbNiSi3 was investigated by neutron scattering. The magnetic structure of YbNiSi3 was determined by neutron diffraction on a single-crystalline sample. Inelastic scattering experiments were also performed on a pulverized sample to study the crystalline electric field (CEF) excitations…
We have used diffusion Monte Carlo (DMC) calculations to study the structural properties of magnesium hydride $(\mathrm{Mg}{\mathrm{H}}_{2})$, including the pressure-volume equation of state, the cohesive energy, and the enthalpy of formation from magnesium bulk and hydrogen gas. The calculations employ pseudopotentia…
General microscopic mechanism of ferroelectric ordering in chiral smectic-C* liquid crystals is considered. It is shown that if the mesogenic molecules have a sufficiently low symmetry, the spontaneous polarization is proportional to one of the biaxial vector order parameters of the smectic-C phase. This order paramet…
gamma-Butyrolactone, unlike delta-valerolactone, does not polymerize despite a strain energy of approximately 8 kcal mol-1 which could be relieved by opening the s-cis lactone ester bond to an s-trans ester bond in the polymer. To explain this anomaly, we have applied quantum mechanical methods to study the thermochem…
The $ΔH(M, ΔM)$ method and its ability to determine intrinsic switching field distributions of perpendicular recording media are numerically studied. It is found that the presence of dipolar interactions in the range of typical recording media substantially enhances the reliability of the $ΔH(M,ΔM)$ method. In additio…
The bending of a nonconducting piezoelectric ZnO nanowire is simulated by finite element method calculations. The top part is bent by a lateral force, which could be applied by an atomic force microscope (AFM) tip. The generated electrical potential is 0.3 V. This relatively high signal is, however, difficult to measu…
Phonon modes found in low frequency Raman scattering from $CdS_{1-x}Se_x$ nanocrystals embedded in borosilicate glass arising from confined acoustic phonons are investigated. In addition to the breathing modes and quadrupolar modes, two additional modes are found in the spectra. In order to assign the new modes, confi…
We report the discovery of a complete suppression of ferroelectricity in $\mathrm{Mn}\mathrm{W}{\mathrm{O}}_{4}$ by 10% iron substitution and its restoration in external magnetic fields. The spontaneous polarization in ${\mathrm{Mn}}_{0.9}{\mathrm{Fe}}_{0.1}\mathrm{W}{\mathrm{O}}_{4}$ arises below $12\phantom{\rule{0.…
A Lagrangian generalization of time-reversible Born-Oppenheimer molecular dynamics [Niklasson et al., Phys. Rev. Lett. vol. 97, 123001 (2006)] is proposed. The Lagrangian includes extended electronic degrees of freedom as auxiliary dynamical variables in addition to the nuclear coordinates and momenta. While the nucle…
From first-principles calculations we investigate the electronic structure and the magnetic properties of $\mathrm{EuO}$ under hydrostatic stress and the appropriate biaxial stress for epitaxial films. There is a complex interdependence of the $\mathrm{O}\phantom{\rule{0.3em}{0ex}}2p$ and $\mathrm{Eu}\phantom{\rule{0.…