Charge Carrier Dynamics in Photocatalytic Hybrid Semiconductor-Metal Nanorods: Crossover from Auger Recombination to Charge Transfer.

Hybrid semiconductor-metal nanoparticles (HNPs) manifest unique, synergistic electronic and optical properties as a result of combining semiconductor and metal physics via a controlled interface. These structures can exhibit spatial charge separation across the semiconductor-metal junction upon light absorption, enabling their use as photocatalysts. The combination of the photocatalytic activity of the metal domain with the ability to generate and accommodate multiple excitons in the semiconducting domain can lead to improved photocatalytic performance because injecting multiple charge carriers into the active catalytic sites can increase the quantum yield.

Concentration Dependence of Dopant Electronic Structure in Bottom-up Graphene Nanoribbons.

Bottom-up fabrication techniques enable atomically precise integration of dopant atoms into the structure of graphene nanoribbons (GNRs). Such dopants exhibit perfect alignment within GNRs and behave differently from bulk semiconductor dopants. The effect of dopant concentration on the electronic structure of GNRs, however, remains unclear despite its importance in future electronics applications.

Optimal metal domain size for photocatalysis with hybrid semiconductor-metal nanorods.

Semiconductor-metal hybrid nanostructures offer a highly controllable platform for light-induced charge separation, with direct relevance for their implementation in photocatalysis. Advances in the synthesis allow for control over the size, shape and morphology, providing tunability of the optical and electronic properties. A critical determining factor of the photocatalytic cycle is the metal domain characteristics and in particular its size, a subject that lacks deep understanding.

Sublinear scaling for time-dependent stochastic density functional theory.

A stochastic approach to time-dependent density functional theory is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves time-propagation of a small set of stochastic orbitals which are first projected on the occupied space and then propagated in time according to the time-dependent Kohn-Sham equations. The evolving electron density is exactly represented when the number of random orbitals is infinite, but even a small number (≈16) of such orbitals is enough to obtain meaningful results for absorption spectrum and the RPA correlation energy per electron.

Molecular bandgap engineering of bottom-up synthesized graphene nanoribbon heterojunctions.

Bandgap engineering is used to create semiconductor heterostructure devices that perform processes such as resonant tunnelling and solar energy conversion. However, the performance of such devices degrades as their size is reduced. Graphene-based molecular electronics has emerged as a candidate to enable high performance down to the single-molecule scale.

Tracking the earliest pathologic changes in Alzheimer disease.

A current challenge in Alzheimer disease (AD) research is to identify the sequence of pathologic changes that occurs during preclinical stages of disease in advance of cognitive decline. The timing of appearance of the 2 pathologic hallmarks of AD-amyloid deposition and tau-mediated neurodegeneration-is a particular topic of debate, with researchers drawing on a broad range of genetic, neuroimaging, fluid biomarker, animal, and autopsy studies to piece together the series of events ultimately leading to the plaques, neurofibrillary tangles, and cognitive deficits that define AD.

Linking on-state memory and distributed kinetics in single nanocrystal blinking.

Memory effects in single nanocrystal fluorescence blinking are investigated as a function of the on-state kinetics for CdSe/ZnS quantum dots and CdSe nanorods. The on-state duration probability distributions for single nanocrystal blinking traces are characterized by an inverse power law, which crosses over to exponential decay for long on-state durations. The correlations of subsequent on-state durations (Rlog,on) are found to decrease for nanocrystals that display earlier crossover times and smaller power law coefficients.

Direct measurement of off-state trapping rate fluctuations in single quantum dot fluorescence.

Fluorescence decay times measured during the off-state of single CdSe/ZnS quantum dot blinking are found to decrease with increasing off-state duration, contradicting the charging model widely considered to explain the blinking phenomenon. The change in the nonradiative process of a short off-state duration compared to a long one is investigated here through simultaneous measurement of fluorescence decay and blinking behavior. The results are investigated in the framework of two models based on fluctuating trapping rates.

Implicit sampling for particle filters.

We present a particle-based nonlinear filtering scheme, related to recent work on chainless Monte Carlo, designed to focus particle paths sharply so that fewer particles are required. The main features of the scheme are a representation of each new probability density function by means of a set of functions of Gaussian variables (a distinct function for each particle and step) and a resampling based on normalization factors and Jacobians. The construction is demonstrated on a standard, ill-conditioned test problem.

Excitation wavelength dependence of fluorescence intermittency in CdSe/ZnS core/shell quantum dots.

Core/shell CdSe/ZnS quantum dot fluorescence-blinking statistics depend strongly on excitation wavelength. Excitation on the band gap (575 nm) results in inverse-power law "on" time distributions. However, distributions resulting from excitation above the band gap (525 nm) require a truncated power law and are 100 times less likely to display 10-s fluorescence.

Optimal prediction and the rate of decay for solutions of the Euler equations in two and three dimensions.

The "t-model" for dimensional reduction is applied to the estimation of the rate of decay of solutions of the Burgers equation and of the Euler equations in two and three space dimensions. The model was first derived in a statistical mechanics context, but here we analyze it purely as a numerical tool and prove its convergence. In the Burgers case, the model captures the rate of decay exactly, as was previously shown.

State-resolved dynamics of the CN(B2Sigma+) and CH(A2Delta) excited products resulting from the VUV photodissociation of CH3CN.

Fourier transform visible spectroscopy, in conjunction with VUV photons produced by a synchrotron, is employed to investigate the photodissociation of CH3CN. Emission is observed from both the CN(B2Sigma+-X2Sigma+) and CH(A2Delta-X2Pi) transitions; only the former is observed in spectra recorded at 10.2 and 11.

The turbulent wall jet: a triple-layered structure and incomplete similarity.

We demonstrate using the high-quality experimental data that turbulent wall jet flows consist of two self-similar layers: a top layer and a wall layer, separated by a mixing layer where the velocity is close to maximum. The top and wall layers are significantly different from each other, and both exhibit incomplete similarity, i.e.

Large disparity between gallium and antimony self-diffusion in gallium antimonide.

The most fundamental mass transport process in solids is self-diffusion. The motion of host-lattice ('self-') atoms in solids is mediated by point defects such as vacancies or interstitial atoms, whose formation and migration enthalpies determine the kinetics of this thermally activated process. Self-diffusion studies also contribute to the understanding of the diffusion of impurities, and a quantitative understanding of self- and foreign-atom diffusion in semiconductors is central to the development of advanced electronic devices.

Defects in semiconductors: some fatal, some vital.

REVIEW The role of defects as essential entities in semiconductor materials is reviewed. Early experiments with semiconductors were hampered by the extreme sensitivity of the electronic properties to minute concentrations of impurities. Semiconductors were viewed as a family of solids with irreproducible properties.