First principles calculations of oxygen reduction reaction at fuel cell cathodes

The efficiency of solid oxide fuel cells (SOFC) depends critically on materials, in particular for the cathode where the oxygen reduction reaction (ORR) occurs. Typically, mixed conducting perovskite ABO₃-type materials are used for this purpose. The dominating surface terminations are (001) AO and BO₂, with the relative fractions depending on materials composition and ambient conditions.Here, results of recent large-scale first principles (ab initio) calculations for the two alternative polar (La,Sr)O and MnO₂ (001) terminations of (La,Sr)MnO₃ cathode materials are discussed. The surface oxygen vacancy concentration for the (La,Sr)O termination is more than 5 orders of magnitude smaller compared to MnO₂, which leads to drastically decreased estimated ORR rates. Thus, it is predicted for prototypical SOFC cathode materials that the BO₂ termination largely determines the ORR kinetics, although with Sr surface segregation (long-term degradation) its fraction of the total surface area decreases, which slows down cathode kinetics.     

A Unified Mechanism on the Formation of Acenes,Helicenes, and Phenacenes in the Gas Phase

A unified low‐temperature reaction mechanism on the formation of acenes, phenacenes, and helicenes—polycyclic aromatic hydrocarbons (PAHs) that are distinct via the linear, zigzag, and ortho‐condensed arrangements of fused benzene rings—is revealed. This mechanism is mediated through a barrierless, vinylacetylene mediated gas‐phase chemistry utilizing tetracene, [4]phenacene, and [4]helicene as benchmarks contesting established ideas that molecular mass growth processes to PAHs transpire at elevated temperatures. This mechanism opens up an isomer‐selective route to aromatic structures involving submerged reaction barriers, resonantly stabilized free‐radical intermediates, and systematic ring annulation potentially yielding molecular wires along with racemic mixtures of helicenes in deep space. Connecting helicene templates to the Origins of Life ultimately changes our hypothesis on interstellar carbon chemistry.     

Design and fabrication of subwavelength nanogratings based light-emitting diodes

Linearly polarized light from InGaN green light emitting diode grown on (0001) oriented sapphire is demonstrated by using subwavelength metallic nanogratings. Polarization ratio can reach 7:1 (∼88%), the highest ever reported from a single light emitting device. We discuss the design and fabrication of this device in detail.     

Routing-efficient CDS construction in Disk-Containment Graphs

In wireless networks, Connected Dominating Sets (CDSs) are widely used as virtual backbones for communications. On one hand, reducing the backbone size will reduce the maintenance overhead. So how to minimize the CDS size is a critical issue. On the other hand, when evaluating the performance of a wireless network, the hop distance between two communication nodes, which reflect the energy consumption and response delay, is of great importance. Hence how to minimize the routing cost is also a key problem for constructing the network virtual backbone. In this paper, we study the problem of constructing applicable CDS in wireless networks in terms of size and routing cost. We formulate a wireless network as a Disk-Containment Graph (DCG), which is a generalization of the Unit-Disk Graph (UDG), and we develop an efficient algorithm to construct CDS in such kind of graphs. The algorithm contains two parts and is flexible to balance the performance between the two metrics. We also analyze the algorithm theoretically. It is shown that our algorithm has provable performance in minimizing the CDS size and reducing the communication distance for routing.     

Relaxation and convexity of functionals with pointwise nonlocality

It is shown that the relaxation of the integral functional involving argument deviations

in weak topology of a Lebesgue space (where and are standard measure spaces, the latter with nonatomic measure), coincides with its convexification whenever the matrix of measurable functions : satisfies the special condition, called unifiability, which can be regarded as collective nonergodicity or commensurability property, and is automatically satisfied only if . If, however, either 1$"> or 1$">, then it is shown that as opposed to the classical case without argument deviations, for nonunifiable function matrix one can always construct an integrand so that the functional itself is already weakly lower semicontinuous but not convex.

     

Noise in miniature microphones

The internal noise spectrum in miniature electret microphones of the type used in the manufacture of hearing aids is measured. An analogous circuit model of the microphone is empirically fit to the measured data and used to determine the important sources of noise within the microphone. The dominant noise source is found to depend on the frequency. Below 40 Hz and above 9 kHz, the dominant source is electrical noise from the amplifier circuit needed to buffer the electrical signal from the microphone diaphragm. Between approximately 40 Hz and 1 kHz, the dominant source is thermal noise originating in the acoustic flow resistance of the small hole pierced in the diaphragm to equalize barometric pressure. Between approximately 1 kHz and 9 kHz, the noise originates in the acoustic flow resistances of sound entering the microphone and propagating to the diaphragm. To further reduce the microphone internal noise in the audio band requires attacking these sources. A prototype microphone having reduced acoustical noise is measured and discussed.     

Use of 9-methylfluorene as an indicator in the titration of common group IA and group IIA organometallic reagents

9-Methylfluorene was tested as an indicator in the titration of commonly used organometallic reagents. This indicator is readily prepared in three steps from fluorenone. In THF solution the deprotonated indicator is red and exhibits a sharp endpoint. The highly basic reagents sec-butyllithium and tert-butyllithium can be titrated in ether solution, where the color of the deprotonated indicator is yellow.     

Invariant Manifolds and the Long-Time Asymptotics of the Navier-Stokes and Vorticity Equations on R2

We construct finite-dimensional invariant manifolds in the phase space of the Navier-Stokes equation on R ² and show that these manifolds control the long-time behavior of the solutions. This gives geometric insight into the existing results on the asymptotics of such solutions and also allows us to extend those results in a number of ways.