Substituent effects on the ring‐opening mechanism of gem‐dibromospiropentanes to related allenes: a theoretical study

Density functional theory computations at B3LYP and X3LYP levels were performed for ring openings of substituted gem‐dibromospiropentanes (R = ―H, ―Cl, ―Br, ―CH₃, ―SiH₃, ―OH, ―OCH₃, ―CF₃, ―BF₂, and ―SH) to related allenes. The conversion of spiropentanoids 5a , 5b , 5c , 5d , 5e , 5f , 5g , 5h , 5i , 5j to the corresponding allenes 7a , 7b , 7c , 7d , 7e , 7f , 7g , 7h , 7i , 7j can proceed in both concerted and stepwise mechanism except for R = ―H. Both ring‐opening mechanisms have similar activation energy barriers to open the spiropentanylidene ring and generate the structure of allene at all theoretical levels used herein. Generally the π electron‐donating group (―OH or ―SH) decreases the activation barrier for the follow‐up reaction of 1‐bromo‐1‐lithiospiropentanoid and free spiropentanylidene. Hence, both bearing electron‐donating substituents are more reactive than those with electron‐withdrawing group, and the first one to open the ring to the LiBr–allene complex does so more readily than the second. The sEDA index used to measure sigma‐electron excess/deficiency of the cyclopropylidene ring is mutually correlated for the studied systems. Copyright © 2015 John Wiley & Sons, Ltd.     

Fiber Optic Excitation of Silicon Microspheres in Amorphous and Crystalline Fluids

ABSTRACT

This study investigates the optical resonance spectra of free-standing monolithic single crystal silicon microspheres immersed in various amorphous fluids, such as air, water, ethylene glycol, and 4-Cyano-4’-pentylbiphenyl nematic liquid crystal. For the various amorphous fluids, morphology-dependent resonances with quality factors on the order of 10⁵ are observed at 1428 nm. The mode spacing is always on the order of 0.23 nm. The immersion in various amorphous fluids affects the spectral response of the silicon microsphere and heralds this technique for use in novel optofluidics applications. Even though the nematic liquid crystal is a highly birefringent, scattering, and high-index optical medium, morphology-dependent resonances with quality factors on the order of 10⁵ are observed at 1300 nm in the elastic scattering spectra of the silicon microsphere, realizing a liquid-crystal-on-silicon geometry. The relative refractive index and the size parameter of the silicon microsphere are the parameters that affect the resonance structure. The more 4-Cyano-4’-pentylbiphenyl interacting with the silicon microsphere, the lower the quality factor of the resonances is. The more 4-Cyano-4’-pentylbiphenyl is interacting with the silicon microsphere, the lower the mode spacing Δλ of the resonances is. The silicon microspheres wetted with nematic liquid crystal can be used for optically addressed liquid-crystal-on-silicon displays, light valve applications, or reconfigurable optical networks.     

Multi‐crystalline silicon solar cells with metal‐assisted nano‐texturing using HNO3 as hole injection agent

In this study, metal‐assisted etching (MAE) with nitric acid (HNO₃) as a hole injecting agent has been employed to texture multi‐crystalline silicon wafers. It was previously proven that addition of HNO₃ enabled control of surface texturing so as to form nano‐cone shaped structures rather than nanowires. The process parameters optimized for optically efficient texturing have been applied to multi‐crystalline wafers. Fabrication of p‐type Al:BSF cells have been carried out on textured samples with thermal SiO₂/PECVD‐SiN_x stack passivation and screen printed metallization. Firing process has been optimized in order to obtain the best contact formation. Finally, j_sc enhancement of 0.9 mA/cm² and 0.6% absolute increase in the efficiency have been achieved. This proves that the optimized MAE texture process can be successfully used in multi‐crystalline wafer texturing with standard passivation methods.

J –V curves and SEM images of the nano and iso‐textured samples. j_sc enhancement of 0.9 mA/cm² together with 0.6% absolute efficiency gain was observed on nano‐textured samples.     

Meson-baryon s-wave resonances with strangeness -3

Starting from a consistent SU(6) extension of the Weinberg-Tomozawa (WT) meson-baryon chiral Lagrangian ( Phys. Rev. D 74, 034025 (2006)), we study the s-wave meson-baryon resonances in the strangeness S = - 3 and negative-parity sectors. Those resonances are generated by solving the Bethe-Salpeter equation with the WT interaction used as kernel. The considered mesons are those of the 35-SU(6)-plet, which includes the pseudoscalar (PS) octet of pions and the vector (V) nonet of the rho-meson. For baryons we consider the 56-SU(6)-plet, made of the 1/2⁺ octet of the nucleon and the 3/2⁺ decuplet of the Delta. Quantum numbers I(J ^P) = 0(3/2^-) are suggested for the experimental resonances Ω ^*(2250)^- and Ω ^*(2380)^-. Among other, resonances with I = 1 are found, which minimal quark content is sssˉl', being s the strange quark and l, l' any of the the light up or down quarks. A clear signal for such a pentaquark would be a baryonic resonance with strangeness -3 and electric charge -2 or 0, in proton charge units. We suggest looking for K ^- Ξ ^- resonances with masses around 2100 and 2240MeV in the sector 1(1/2^-), and for π ^± Ω ^- and K ^- Ξ ^*- resonances with masses around 2260MeV in the sector 1(3/2^-).     

Critical Behavior of the Blume-Emery-Griffiths Model for a Simple Cubic Lattice on the Cellular Automaton

The spin-1 Ising model with the nearest-neighbour bilinear and biquadratic interactions and single-ion anisotropy is simulated on a cellular automaton which improved from the Creutz cellular automaton (CCA) for a simple cubic lattice. The simulations have been made for several k=K/J and d=D/J in the 0≤d<3 and −2≤k≤0 parameter regions. We confirm the existence of the re-entrant and the successive re-entrant phase transitions near the phase boundary. The phase diagrams characterizing phase transitions are presented for comparison with those obtained from other calculations. The static critical exponents are estimated within the framework of the finite-size scaling theory at d=0, 1 and 2 in the interval −2≤k≤0. The results are compatible with the universal Ising critical behavior.     

Double-lepton polarization asymmetries in Λ<Subscript>b</Subscript>→Λℓ<Superscript>+</Superscript>ℓ<Superscript>-</Superscript> decay in universal extra dimension model

Double-lepton polarization asymmetries in Λ_b→Λℓ⁺ℓ^- decay are calculated in the universal extra dimension (UED) model. It is found that numerous double-lepton polarization asymmetries are very sensitive to the UED model and therefore can be a very useful tool for establishing new physics predicted by the UED model. PACS 12.60.-i; 13.30.-a; 14.20.Mr     

A particular solution of Heun equation for Hulthen and Woods‐Saxon potentials

In this article a particular solution of Heun equation is derived by making use of the Nikiforov‐Uvarov (NU) method which provides exact solutions for general hypergeometric equation and eigenvalues together with eigenfunctions of the Heun equation for this particular solution are obtained. One to one correspondence (isomorphism) of the aforesaid equation with the radial Schrödinger equation is emphasized and also physical counterparts of the parameters in this equation are put forward by introducing solutions for two different potential functions (Hulthen and Woods‐Saxon potentials).

     

Elliptic flow of charged particles in Pb-Pb collisions at sqrt[S(NN)] = 2.76 TeV

We report the first measurement of charged particle elliptic flow in Pb-Pb collisions at sqrt[S(NN)] =2.76 TeV with the ALICE detector at the CERN Large Hadron Collider. The measurement is performed in the central pseudorapidity region (|η|<0.8) and transverse momentum range 0.2

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The effect of PVA (Bi2O3-doped) interfacial layer and series resistance on electrical characteristics of Au/n-Si (110) Schottky barrier diodes (SBDs)

Two types of Schottky Barrier Diodes (SBDs) with and without PVA (Bi₂O₃-doped) polymeric interfacial layer, were fabricated and measured at room temperature in order to investigate the effects of the PVA (Bi₂O₃-doped) interfacial layer on the main electrical parameters such as the ideality factor (n), zero-bias barrier height (Φ_B0), series resistance (R_s) and interface-state density (N_ss). Electrical parameters of these two diodes were calculated from the current-voltage (I-V) characteristics and compared with each other. The values of Φ_B0, n and R_s for SBDs without polymeric interfacial layer are 0.71 eV, 1.44 and 4775 Ω, respectively. The values of Φ_B0, n and R_s for SBDs with PVA (Bi₂O₃-doped) polymeric interfacial layer are 0.74 eV, 3.49 and 10,030 Ω, respectively. For two SBDs, the energy density distribution profiles of interface states (N_ss) were obtained from forward-bias I-V measurements by taking the bias dependence of R_s of these devices into account. The values of N_ss obtained for the SBD with PVA (Bi₂O₃-doped) polymeric interfacial layer are smaller than those of the SBD without polymeric interfacial layer.     

Radioactivity measurements and risk assessments of spa waters in some areas in Turkey

The current study presents the results of the activity of radionuclides in spa waters, and evaluates their radiological influences on the population consuming these waters in the Central and Eastern Black Sea regions of Turkey. Since these waters are used for therapy and consumption purposes unconsciously, their radiological impact on the people was computed by taking into consideration the annual intake through ingestion of ²²⁶Ra, ²³²Th, ⁴⁰K, ¹³⁷Cs and ²²²Rn. The mean activities were estimated to be 11.35 for gross alpha, 6.23 for gross beta, 2.96 for ²²⁶Ra, 0.42 for ²³²Th, 0.069 for ¹³⁷Cs, 0.19 for ⁴⁰K, and 267 Bq L^–1 for ²²²Rn, respectively. The estimated effective doses from spa water were found to be 49.77 µSv a^–1 (²²⁶Ra), 5.95 µSv a^–1 (²³²Th), 0.07 µSv a^–1 (¹³⁷Cs), 0.83 µSv a^–1 (⁴⁰K) and 56.03 µSv a^–1 (²²²Rn). These values were evaluated and compared with related verified values from literature. Also, physico-chemical characterizations of spa water samples considered in the current study were investigated. This study would be useful for consumers and official authorities for the assessment of radiation exposure risk due to usage of the considered spa waters.