(Photo)Electrocatalytic CO2 Reduction at the Defective Anatase TiO2 (101) Surface

Excessive carbon dioxide (CO2) emissions by combustion of fossil fuels are linked to global warming and rapid climate change. One promising route to lowering the concentration of CO2 in the atmosphere is to reduce it to useful small molecules via photoelectrocatalytic hydrogenation, which would enable solar energy storage with a zero-carbon emission cycle and perform a more efficient separation of the photogenerated electron and hole pair than pure photocatalysis. Indeed, photoelectrocatalytic CO2 reduction has been an intense focus of research. Using the density functional theory (DFT), we studied the CO2 reduction reaction on the defective anatase TiO2 (101) surface, at both the solvent/catalyst and the electrolyte/catalyst interfaces. The analysis of the electronic structure of the surface shows a contrast between the solvent/catalyst and the electrolyte/catalyst interfaces, which results in the two corresponding catalytic cycles being distinct. Our study explains at the electronic and mechanistic levels why methanol is the main product in the presence of the electrolyte and why the overpotential is not only controlled by the reaction process but also by the diffusion process

Direct laser acceleration of electrons assisted by strong laser-driven azimuthal plasma magnetic fields.

A high-intensity laser beam propagating through a dense plasma drives a strong current that robustly sustains a strong quasistatic azimuthal magnetic field. The laser field efficiently accelerates electrons in such a field that confines the transverse motion and deflects the electrons in the forward direction. Its advantage is a threshold rather than resonant behavior, accelerating electrons to high energies for sufficiently strong laser-driven currents. We study the electron dynamics via a test-electron model, specifically deriving the corresponding critical current density. We confirm the model's predictions by numerical simulations, indicating energy gains two orders of magnitude higher than achievable without the magnetic field

Rock-salt SnS and SnSe: Native Topological Crystalline Insulators

Unlike time-reversal topological insulators, surface metallic states with Dirac cone dispersion in the recently discovered topological crystalline insulators (TCIs) are protected by crystal symmetry. To date, TCI behaviors have been observed in SnTe and the related alloys Pb$_{1-x}$Sn$_{x}$Se/Te, which incorporate heavy elements with large spin-orbit coupling (SOC). Here, by combining first-principles and {\it ab initio} tight-binding calculations, we report the formation of a TCI in the relatively lighter rock-salt SnS and SnSe. This TCI is characterized by an even number of Dirac cones at the high-symmetry (001), (110) and (111) surfaces, which are protected by the reflection symmetry with respect to the ($\bar{1}$10) mirror plane. We find that both SnS and SnSe have an intrinsically inverted band structure and the SOC is necessary only to open the bulk band gap. The bulk band gap evolution upon volume expansion reveals a topological transition from an ambient pressure TCI to a topologically trivial insulator. Our results indicate that the SOC alone is not sufficient to drive the topological transition.Comment: 5 pages, 5 figure

Recursive-Based PCG Methods for Toeplitz Systems with Nonnegative Generating Functions

In this paper, we consider the solutions of symmetric positive definite, but ill-conditioned, Toeplitz systems An x = b. Here we propose to solve the system by the recursive-based preconditioned conjugate gradient method. The idea is to use the inverse of Am (the principal submatrix of An with the Gohberg--Semencul formula as a preconditioner for An. The inverse of Am can be generated recursively by using the formula until m is small enough. The construction of the preconditioners requires only the entries of An and does not require the explicit knowledge of the generating function f of An. We show that if f is a nonnegative, bounded, and piecewise continuous even function with a finite number of zeros of even order, the spectra of the preconditioned matrices are uniformly bounded except for a fixed number of outliers. Hence the conjugate gradient method, when applied to solving the preconditioned system, converges very quickly. Numerical results are included to illustrate the effectiveness of our approach.published_or_final_versio

Long non-coding RNAs: The key players in glioma pathogenesis

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Comparison of methods for solving vibration response of Plate Girder Bridge

2004-2005 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

The influence of particle type on the mechanics of sand-rubber mixtures

Triaxial and oedometer tests were used to demonstrate that a critical state framework can be applied to sand–rubber mixtures of similar soil grain and rubber sizes. It described well the behavior of a crushable sand and a quartz sand with either rubber fibers or granules of a variety of quantities, from small to large strains. Together with additional oedometer tests on soils of a wider variety of gradings, the work enabled the influences of sand particle type, grading, and rubber shape to be established. The sand particle type, specifically whether the grains were weak or strong, was found to be a key factor. It affected the yield in compression, even when large quantities of rubber were added. It controlled the critical state stress ratio, except for those mixtures with the highest content of rubber fibers, as well as the stress strain behavior. Sand particle type also determined the critical state line (CSL) location in the volumetric plane for lower rubber contents, but at higher rubber contents the behavior tended to converge for the two sand types. The grading and rubber type were not found to affect the compression or swelling indices significantly, which were mainly controlled by rubber content. Gradings that had nonconvergent compression paths without added rubber tended to retain this feature with rubber. The addition of both types of rubber led to higher volumetric compression in isotropic or one-dimensional compression but reduced volumetric strain during shear, altering the shapes of the state boundary surfaces

Dead space effect in space-charge region of collector of AlGaAs/InGaAs p-n-p heterojunction bipolar transistors

Hole-initiated avalanche multiplication is investigated using an AlGaAs/InGaAs p-n-p heterojunction bipolar transistor (HBT). Both experimental measurements and theoretical calculation are used to determine the avalanche multiplication factor. A large departure is observed at low electric field when comparison is made between the measured data and theoretical results obtained from the standard ionization model. The comparison shows that the conventional impact ionization model, based on local electric field, substantially overestimates the hole avalanche multiplication factor Mp - 1 in the AlGaAs/InGaAs p-n-p HBT, where a significant dead space effect occurs in the collector space-charge region. A simple correction model for the dead space is proposed, that allows the multiplication to be accurately predicted, even in a heavily doped structure. Based on this model, multiplication characteristics for different threshold energy of the hole are calculated. A threshold energy of 2.5 eV was determined to be suitable for describing the hole-initiated impact ionization process. © 2001 American Institute of Physics.published_or_final_versio