Materials Literature
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The magnetic ground state of (Sr$_{1-x}$Ca$_x$)$_3$Ru$_2$O$_7$ (0 $\leq x \leq$ 1) is complex, ranging from an itinerant metamagnetic state (0 $\leq x <$ 0.08), to an unusual heavy-mass, nearly ferromagnetic (FM) state (0.08 $< x <$ 0.4), and finally to an antiferromagnetic (AFM) state (0.4 $\leq x \leq$ 1). In this r…
Nernst effect, the transverse voltage generated by a longitudinal thermal gradient in presence of magnetic field has recently emerged as a very sensitive, yet poorly understood, probe of electron organization in solids. Here we report on an experiment on graphite, a macroscopic stack of graphene layers, which establis…
Gold nanocrystals in seven different shapes were prepared, including large nanorods, nanobipyramids, oxidized nanobipyramids, oxidized nanorods, dog-bone-like nanorods, peanut-like nanorods, and small nanorods. Their longitudinal plasmon resonance wavelengths were all synthetically controlled to be around 730 nm. Thei…
A new multiresponsive supramolecular nanogated ensemble has been developed by introducing beta-cyclodextrin (beta-CD) into polymer-grafted mesoporous silica. The cross-linked polymer produced by host-guest interaction between beta-CD and diazo-linker works as a gatekeeper to control the release of trapped molecules fr…
Density functional theory calculations are employed to calculate geometries (R = H, CH(3), CH(2)CH(3), CH(2)CH(2)Ph) and excitation energies (R = H, CH(3), CH(2)CH(3)) for the Au(25)(SR)(18)(-) nanoparticle. The splitting between the first two peaks in the optical absorption spectrum is known to arise as a result of l…
We present new data and a compact mobility model for semiconducting single-wall carbon nanotubes, with only two adjustable parameters, the elastic and inelastic collision mean free paths at 300 K. The mobility increases with diameter, decreases with temperature, and has a more complex dependence on charge density. The…
YPO 4 nano/microcrystals with multiform crystal phases and morphologies, such as hexagonal nano/submicroprisms, spherical-like nanoparticles, and nanorods with different length/diameter ratios as well as tetragonal nanospindles, have been synthesized via a facile hydrothermal route. A series of controlled experiments…
We perform histogram-reweighting Monte Carlo simulations of the ST2 model of water in the grand-canonical ensemble in order to investigate its low-temperature fluid-phase behavior. Using Ewald summation treatment of long-range electrostatic interactions, we locate the critical point of the liquid-liquid transition at…
We present a molecular coarse-graining approach applied to polystyrene which obtains both the bonded and nonbonded interactions of the coarse-grained model from the sampling of isolated atomistic chains and pairs of oligomers. Atomistic melt properties are not used in the parametrization. We show that the coarse-grain…
It was reported in our previous publication that the accumulation of short-chain fatty acids (SCFA) was significantly enhanced when waste-activated sludge (WAS) was anaerobically fermented at pH 10.0 (Yuan, et al., Environ. Sci. Technol. 2006, 40, 2025-2029). In this paper, the production of polyhydroxyalkanoate (PHA)…
The thermoelectric power factor of the narrow-gap semiconductor FeSb 2 is greatly enhanced in comparison to the isostructural homologues FeAs 2 and RuSb 2 . Comparative studies of magnetic and thermodynamic properties provide evidence that the narrow and correlated bands as well as the associated enhanced thermoelectr…
The Raman shift, broadening, and relative Raman intensities of bilayer graphene are computed as functions of the electron concentration. We include dynamic effects for the phonon frequencies and we consider the gap induced in the band structure of bilayer graphene by an external electric field. We show that from the a…
We present a theoretical description of phonon thermal transport and intrinsic lattice thermal conductivity in single-walled carbon nanotubes (SWCNTs). An exact solution of the phonon Boltzmann equation is implemented using an efficient scheme that allows consideration of SWCNTs with a wide range of radii and chiralit…
The strong non-nucleophilic base bis(dimethylamino)naphthalene (Proton Sponge, PS) has been found to promote the rate and extent of H(2)-release from ammonia borane (AB) either in the solid state or in ionic-liquid and tetraglyme solutions. For example, AB reactions in 1-butyl-3-methylimidazolium chloride (bmimCl) con…
Anodic aluminum oxide (AAO) with uniform straight nanochannels was completely coated with pure, N-doped, or B-doped carbon layer. Their electric double layer capacitances are measured in aqueous (1 M sulfuric acid) and organic (1 M Et4NBF4/polypropylene carbonate) electrolyte solutions in order to investigate the capa…
The controllable assembly behavior of diphenylalanine molecules to form nanowires (NWs) and nanotubes (NTs) and their structural details are presented (see figure). The nanoscale morphologies are closely related to molecular arrangements of diphenylalanine as revealed by Rietveld refinement of powder X-ray diffraction…
This study has investigated the wettability of forewings of 15 species of cicadas, with distinctly different wetting properties related to their nanostructures. The wing surfaces exhibited hydrophilic or weak to strong hydrophobic properties with contact angles ranging from 76.8 deg. to 146.0 deg. The nanostructures (…
As an important class of catalytic reactions, the reaction at solid/liquid interfaces is less understood at the atomic level. From a theoretical point of view, the difficulty lies at the simultaneous consideration of the extended solid surface and the dynamic liquid environment. In taking the oxidation of formic acid…
p -Mercaptoaniline (pMA, it is often called p -aminothiophenol (PATP)) can form self-assembled monolayer (SAM) through its thiol group on metal surfaces. It is also an important surface probe molecule in the surface-enhanced Raman spectroscopy (SERS). More recently, pMA has been used in molecular electronics as a sing…
Robust measurement of single quantum bits plays a key role in the realization of quantum computation and communication as well as in quantum metrology and sensing. We have implemented a method for the improved readout of single electronic spin qubits in solid-state systems. The method makes use of quantum logic operat…