Materials Literature
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Temporal fluctuations of spectral shapes have been observed in tip-enhanced Raman scattering (TERS) spectra of adenine molecules. The TERS spectra of a nanocrystalline cluster of adenine molecules showed distinct temporal changes including fluctuations of peak frequencies and peak intensities and extraordinary enhance…
Capacitance-voltage (C-V) characteristics are important for understanding fundamental electronic structures and device applications of nanomaterials. The C-V characteristics of graphene nanoribbons (GNRs) are examined using self-consistent atomistic simulations. The results indicate strong dependence of the GNR C-V ch…
Exploitation of the remarkable kinetic inertness and ability of chiral aggregates built with opposite charged porphyrins to self-replicate leads to a system able to cycle between a chiral and an “achiral” state.
We use molecular dynamics simulations to shed light on polymorph selection during the crystallization of the Lennard-Jones fluid. By varying pressure at fixed supercooling, we form large crystallites either of the stable face centered cubic form or of the metastable body centered cubic form and even fine-tune the frac…
The electronic properties of supported gold nanoparticles were determined using X-ray absorption near-edge spectroscopy (XANES) at the gold L III -edge. The whiteline intensity decreased with decreasing particle size, suggesting that smaller particles contained more d electrons. No change in the whiteline intensity, h…
Reactive oxygen species (ROS) play important roles in multiple physiological processes such as cellular signalling and stress responses, whereas, the hydrogen peroxide (H(2)O(2)) scavenging enzyme ascorbate peroxidase (APX) participates in the regulation of intracellular ROS levels. Here, a cotton (Gossypium hirsutum)…
Surface x-ray diffraction has been employed to elucidate the surface structure of $\mathrm{Ti}{\mathrm{O}}_{2}(110)(1\ifmmode\times\else\texttimes\fi{}1)$. The atomic coordinates emerging from this study are in excellent agreement with those derived in other recent quantitative structure determinations of this surface…
The objective of this study was to overcome drug resistance upon systemic administration of combination paclitaxel (PTX) and the apoptotic signaling molecule C(6)-ceramide (CER) in biodegradable poly(ethylene oxide)-modified poly(epsilon-caprolactone (PEO-PCL) nanoparticles. Subcutaneous sensitive (wild-type) and mult…
We report the results of a detailed investigation of sol-gel-synthesized nanoscale Zn(1-x)Co(x)O powders processed at 350 °C with 0≤x≤0.12 to understand how the structural, morphological, optical and magnetic properties of ZnO are modified by Co doping, in addition to searching for the theoretically predicted ferromag…
A novel nanocomposite device, which consists of liquid crystals and semiconductor nanorods, has been designed and fabricated. It reveals a very unique and useful behavior in that the polarization of the emission from semiconductor nanorods can be controlled by an external bias. The large magnitude of polarization anis…
The authors present a generalized theory of microphase separation for charged-neutral diblock copolymer melt. The stability limit of the disordered phase for salt-free melt has been calculated using random phase approximation (RPA) and self-consistent-field theory (SCFT). Explicit analytical free energy expressions fo…
We have performed polarization-dependent ultrafast pump-probe spectroscopy of a film of aligned single-walled carbon nanotube bundles. By taking into account imperfect nanotube alignment, as well as anisotropic absorption cross sections, we quantitatively determined distinctly different photobleaching dynamics for pol…
We present a general computational scheme based on molecular dynamics (m.d.) simulation for calculating the chemical potential of adsorbed molecules in thermal equilibrium on the surface of a material. The scheme is based on the calculation of the mean force in m.d. simulations in which the height of a chosen molecule…
We report ab initio calculations of the melting curve of molybdenum for the pressure range 0-400 GPa. The calculations employ density functional theory (DFT) with the Perdew-Burke-Ernzerhof exchange-correlation functional in the projector augmented wave (PAW) implementation. We present tests showing that these techniq…
We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0-400 GPa, using density functional theory (DFT) in the projector augmented wave (PAW) implementation. We use the ``reference coexistence'' technique to overcome uncertainties inherent in earlier DFT calculations of…
Thermal response functions of strongly correlated electron systems are of appreciable interest to the larger scientific community both theoretically and technologically. Here we focus on the infinitely correlated t-J model on a geometrically frustrated two-dimensional triangular lattice. Using exact diagonalization on…
The self-modulation of waves propagating in nonlinear magnetic metamaterials is investigated. Considering the propagation of a modulated amplitude magnetic field in such a medium, we show that the self-modulation of the carrier wave leads to a spontaneous energy localization via the generation of localized envelope st…
Multiarmed CdS nanorods have been used as the electron acceptors to fabricate efficient hybrid solar cells. It was demonstrated that when pyridine was used as a solvent for spin coating an active layer consisting of MEH-PPV/CdS blend instead of chlorobenzene, short-circuit current of the device can typically be increa…
Size dependent electron and hole relaxation dynamics were measured in colloidal CdSe quantum dots with state-to-state specificity. These experiments reveal the electron and hole state-to-state relaxation dynamics with a precision of $\ensuremath{\sim}10\phantom{\rule{0.3em}{0ex}}\mathrm{fs}$, allowing quantitative eva…
A laser-based angle resolved photoemission (APRES) system utilizing 6 eV photons from the fourth harmonic of a mode-locked Ti:sapphire oscillator is described. This light source greatly increases the momentum resolution and photoelectron count rate, while reducing extrinsic background and surface sensitivity relative…