Materials Literature
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An analysis of glass formation for polymer melts that are diluted by structured molecular additives is derived by using the generalized entropy theory, which involves a combination of the Adam-Gibbs model and the direct computation of the configurational entropy based on a lattice model of polymer melts that includes…
Homogeneously dispersed ceria nanocatalyst can be synthesized and stabilized with ordered mesoporous alumina by a one-step sol–gel method. This novel material possesses high thermal stability and exhibits 100% conversion at room temperature for CO oxidation when loaded with Au. This established approach can be expande…
In inversion asymmetric semiconductors, spin-orbit interactions give rise to very effective relaxation mechanisms of the electron spin. Recent work, based on the dimensionally constrained D'yakonov Perel' mechanism, describes increasing electron-spin relaxation times for two-dimensional conducting layers with decreasi…
The Hall effect is investigated for eight superconducting $\text{Fe}({\text{Se}}_{0.5}{\text{Te}}_{0.5})$ thin films grown on MgO and ${\text{LaSrAlO}}_{4}$ substrates with different transition temperatures $({T}_{c})$. The normal Hall coefficients $({R}_{H})$ have positive values with magnitude of $1\ensuremath{\sim}…
The electronic properties of two-dimensional hexagonal germanium, so called germanene, are investigated using first-principles simulations. Consistent with previous reports, the surface is predicted to have a “poor” metallic behavior, i.e., being metallic with a low density of states at the Fermi level. It is found th…
Multifunctional Au nanoshells with tunable optical properties and fast magnetic response have been fabricated through a sequence of sol–gel, surface-protected etching, and seed-mediated growth processes. The use of a porous silica layer enhances the uniformity of nanoshell growth, the reproducibility of the synthesis,…
We calculate Root Mean Square (RMS) deviations from equilibrium for atoms in a two dimensional crystal with local (e.g. covalent) bonding between close neighbors. Large scale Monte Carlo calculations are in good agreement with analytical results obtained in the harmonic approximation. When motion is restricted to the…
Uniform polyaniline nanofibers (PANI NFs) and chemically doped sulfamic acid (SFA) PANI NFs, synthesized via template free interfacial polymerization process, were used as new counter electrodes materials for the fabrication of the highly efficient dye-sensitized solar cells (DSSCs). The PANI NFs-based fabricated DSSC…
The origin of the cooperative Jahn-Teller distortion and orbital order in ${\mathrm{LaMnO}}_{3}$ is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and ${\mathrm{GdFeO}}_{3}$-type distortions and the strong Hund's rule coupling between ${e}_{g}$ and ${t}…
Environmental context. The fate and bioavailability of engineered nanoparticles in natural aquatic systems are strongly influenced by their ability to remain dispersed in water. Consequently, understanding the colloidal properties of engineered nanoparticles through rigorous characterisation of physicochemical propert…
Molecular dynamics simulations have been performed to study the mechanical properties of methyl (CH(3)) functionalized graphene. It is found that the mechanical properties of functionalized graphene greatly depend on the location, distribution and coverage of CH(3) radicals on graphene. Surface functionalization exhib…
Density-functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results show that applying stress to the graphene substrate can lower the barrier to dis…
Using the recently developed technique of microsoldering, we perform systematic transport studies of the influence of polymethylmethacrylate on graphene revealing a doping effect with a n-type dopant density Δn of up to Δn=3.8×1012 cm−2 but negligible influence on mobility and hysteresis. Moreover, we show that micros…
We present a systematic study of electron backscattering phenomena during conduction for graphene nanoribbons with single-vacancy scatterers and dimensions within the capabilities of modern lithographic techniques. Our analysis builds upon an ab initio parameterized semiempirical model that breaks electron-hole symmet…
Electrically detected magnetic resonance (EDMR) is applied to mm size devices with implanted leads and a 50 micron square gap laid down on bulk phosphorus doped silicon. Devices with a range of phosphorus concentrations and surface types were prepared and measured to examine the interplay between donor and charge trap…
A purpose built millikelvin pulsed x-band ESR system is used to measure spin decoherence times of phosphorus donor spins in 99.92% isotopically pure 28 silicon. The isolated P spin T2 is estimated at 260 (50) ms at 4.2 K and 330 (100) ms at 0.9 K.
Small Ag clusters incorporating both the pH-sensitive Raman probe molecule 4-mercaptobenzoic acid and a fluorescent dye are used to determine the local pH from the spatially mapped surface-enhanced Raman spectra correlated with the fluorescence, allowing simultaneous single-particle tracking and local pH sensing.
Metal hydrides are likely candidates for the solid state storage of hydrogen. NaAlH 4 is the only complex metal hydride identified so far that combines favorable thermodynamics with a reasonable hydrogen storage capacity (5.5 wt %) when decomposing in two steps to NaH, Al, and H 2 . The slow kinetics and poor reversib…
Environmental context. It cannot be assumed that nanomaterials entering aquatic environments will have the same impacts on aquatic biota as their macroscopic particle equivalents. If their toxicities are different, this will have implications for the way in which nanomaterial usage is regulated. Algae, at the bottom o…
Abstract Chemical modifications of wood fibers (Lignocel® C120) were performed for biocomposite applications, and chemically modified wood fibers were analyzed by FTIR spectroscopy. NaOH treatment showed band shifts from Cell‐I to Cell‐II in FTIR spectra from 2902 cm −1 , 1425 cm −1 , 1163 cm −1 , 983 cm −1 , and 897…