Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated biphenyls

Based on nine quantum chemical descriptors computed by PM3 Hamiltonian, using partial least squares analysis, a significant quantitative structure-property relationship for the logarithm of octanol-air partition coefficients (log K-OA) of polychlorinated biphenyls (PCBs) was obtained. The cross-validated Q(cum)(2) value of the model is 0.962, indicating a good predictive ability. The intermolecular dispersive interactions and thus the size of the PCB molecules play a key role in governing log K-OA. The greater the size of PCB molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) values of the PCBs leads to decreasing log K-OA values, indicating possible interactions between PCB and octanol molecules. Increasing Q(Cl)(+) (the most positive net atomic charges on a chlorine atom) and Q(C)(-) (the largest negative net atomic charge on a carbon atom) values of PCBs results in decreasing log K-OA values, implying possible intermolecular electrostatic interactions between octanol and PCB molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

Quantitative structure-property relationship studies on n-octanol/water partitioning coefficients of PCDD/Fs

Based on some fundamental quantum chemical descriptors computed by PM3 Hamiltonian, by the use of partial least-squares (PLS) analysis, a significant quantitative structure-property relationship (QSPR) model for logK(ow) of polychlorinated dibenzo-p-dioxins and dibenzo-p-furans (PCDD/Fs) was obtained. The QSPR can be used for prediction. The intermolecular dispersive interactions and thus the bulkness of the PCDD/Fs are the main factors affecting the logK(ow). The more chlorines in the PCDD/F molecule, the greater the logK(ow) values. (C) 2001 Elsevier Science Ltd. All rights reserved.

A column method for determination of soil organic partition coefficients of eight pesticides

A column method was developed to conveniently and reliably determine the soil organic partition coefficients (K-oc) of three insecticides (methiocarb, azinphos-methyl, fenthion), four fungicides (triadimenol, fuberidazole, tebuconazole, pencycuron), and one herbicide (atrazine), in which real soil acted as a stationary phase and the water solution of pesticide as an eluent. The processes of sorption equilibrium were directly shown through a breakthrough curve(BTC). The log K-oc values are 1.69, 1.95, 2.25, 2.55, 2.69, 2.67, 3.10, and 3.33 for atrazine, triadimenol, methiocarb, fuberidazole, azinphos-methyl, tebuconazole, fenthion and pencycuron, respectively.

Fiber Dispersion and Nonlinearity Influences on Transmissions of AM and FM Data Modulation Signals in Radio-Over-Fiber System

Transmission properties of data amplitude modulation (AM) and frequency modulation (FM) in radio-over-fiber (RoF) system are studied numerically. The influences of fiber dispersion and nonlinearity on different microwave modulation schemes, including double side band (DSB), single side band (SSB) and optical carrier suppression (OCS), are investigated and compared. The power penalties at the base station (BS) and the eye opening penalties of the recovered data at the end users are both calculated and analyzed. Numerical simulation results reveal that the power penalty of FM can be drastically decreased due to the larger modulation depth it can achieve than that of AM. The local spectrum broadening around subcarrier microwave frequency of AM due to fiber nonlinearity can also be eliminated with FM. It is demonstrated for the first time that the eye openings of the FM recovered data can be controlled by its modulation depths and the coding formats. Negative voltage encoding format was used to further decrease the RF frequency thus increase the fluctuation period considering their inverse relationship.

Dispersion-compensating photonic crystal fibers with special characteristics

Based on the modified dual core structure, three kinds of special photonic crystal fibers are presented, which are extremely large negative dispersion, super-broad bond, and large area made field dispersion-compensating photonic crystal fibers (DCPCF). For extremely large negative dispersion DCPCF, the peak of negative dispersion reaches -5.9 x 10(4) ps/(mn km). Super-broad bond DCPCF has broadband large negative dispersion and the dispersion value varies linearly from -380 ps/(nm km) to -420 ps/(nm km) in the C band. The designed large area made field DCPCF has a peak dispersion of -1203 ps/(nm km) with the inner core mode area of 47 mu m(2) and outer core mode area of 835 mu m(2). Furthermore, for the large area mode field DCPCF, the experimental result is also obtained. (C) 2008 Wiley Periodicals, Inc.

Quantum efficiency and temperature coefficients of GaInP/GaAs dual-junction solar cell

GaInP/GaAs dual-junction solar cell with a conversion efficiency of 25.2% has been fabricated using metalorganic chemical vapor deposition (MOCVD) technique. Quantum efficiencies of the solar cell were measured within a temperature range from 25 to 160A degrees C. The results indicate that the quantum efficiencies of the subcells increase slightly with the increasing temperature. And red-shift phenomena of absorption limit for all subcells are observed by increasing the cell's work temperature, which are consistent with the viewpoint of energy gap narrowing effect. The short-circuit current density temperature coefficients dJ (sc)/dT of GaInP subcell and GaAs subcell are determined to be 8.9 and 7.4 mu A/cm(2)/A degrees C from the quantum efficiency data, respectively. And the open-circuit cell voltage temperature coefficients dV (oc)/dT calculated based on a theoretical equation are -2.4 mV/A degrees C and -2.1 mV/A degrees C for GaInP subcell and GaAs subcell.

High speed 2x2 optical switch in silicon-on-insulator based on plasma dispersion effect

Based on free carrier plasma dispersion effect, a 2 x 2 optical switch is fabricated in a silicon-on-insulator substrate by inductively coupled-plasma technology and ion implantation. The device has a Mach-Zehnder interferometer structure, in which two directional couplers serve as the power splitter and combiner. The switch presents an insertion loss of 3.04 dB and a response time of 496 ns.

Photoluminescence pressure coefficients of InAs/GaAs quantum dots

We have investigated the ground exciton energy pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 21 systems with different quantum dot shape, size, and alloying profile using the atomistic empirical pseudopotential method. Our results confirm the experimentally observed significant reductions of the exciton energy pressure coefficients from the bulk values. We show that the nonlinear pressure coefficients of the bulk InAs and GaAs are responsible for these reductions, and the percentage of the electron wave function on top of GaAs atoms is responsible for the variation of this reduction. We also find a pressure coefficient versus exciton energy relationship which agrees quantitatively with the experimental results. We find linear relationships which can be used to get the information of the electron wave functions from exciton energy pressure coefficient measurements.

Effect of incorporating nonlanthanoidal indium on optical properties of ferroelectric Bi4Ti3O12 thin films

Bi4Ti3O12 (BTO) and Bi3.25In0.75Ti3O12 (BTO:In) thin films were prepared on fused quartz and LaNiO3/Si (LNO) substrates by chemical solution deposition (CSD). Their microstructures, ferroelectric and optical properties were investigated by X-ray diffraction, scanning electron microscope, ferroelectric tester and UV-visible-NIR spectrophotometer, respectively. The optical band-gaps of the films were found to be 3.64 and 3.45 eV for the BTO and BTO:In films, respectively. Optical constants (refractive indexes and extinction coefficients) were determined from the optical transmittance spectra using the envelope method. Following the single electronic oscillator model, the single oscillator energy E-0, the dispersion energy E-d, the average interband oscillator wavelength lambda(0), the average oscillator strength S-0, the refractive index dispersion parameter (E-0/S-0), the chemical bonding quantity beta, and the long wavelength refractive index n(infinity) were obtained and analyzed. Both the refractive index and extinction coefficient of the BTO:In films are smaller than those of the BTO films. Furthermore, the refractive index dispersion parameter (E-0/S-0) increases and the chemical bonding quantity beta decreases in the BTO and BTO:In films compared with those of bulk. (C) 2007 Published by Elsevier B.V.

Tunable ultra-narrow band-gap of anomalous dispersion photonic crystals

We use the transfer-matrix method to research the band structures in one-dimensional photonic crystals composed of anomalous dispersion material ( saturated atomic cesium vapor). Our calculations show that that type of photonic crystal possesses an ultra-narrow photonic band gap and this band gap is tunable when altering the electron population in the atomic ground state of the anomalous dispersion material by the optical pumping method. Copyright (C) EPLA, 2007.

Electro-optic coefficients of Si0.75Ge0.25/Si/Si0.5Ge0.5 asymmetric superlattice measured by polarization-maintaining fiber-optic Mach-Zehnder interferometer

Ten-period 5.5 nm Si0.75Ge0.25/10.3 nm Si/2.5 nm Si0.5Ge0.5 trilayer asymmetric superlattice was prepared on Si (001) substrate by ultrahigh vacuum chemical vapor deposition at 500 degrees C. The stability of Mach-Zehnder interferometer was improved by utilizing polarization-maintaining fibers. According to the electro-optic responses of the superlattice with the light polarization along [110] and [-110], respectively, both electro-optic coefficients gamma(13) and gamma(63) of such asymmetric superlattice were measured. gamma(13) and gamma(63) are 2.4x10(-11) and 1.3x10(-11) cm/V, respectively, with the incident light wavelength at 1.55 mu m. (c) 2006 American Institute of Physics.

A 2x2 optical switch based on plasma dispersion effect in silicon-on-insulator

Based on Mach-Zehnder interferometer (MZI) structure, a 2 x 2 optical switch is fabricated on SOI wafer. Modulation of the refractive index of MZI arms is achieved through free carriers plasma dispersion effect of silicon. The device presents an insertion loss as low as 3.44 dB and a response time as small as 300 ns. The crosstalk and extinction ratio are -15.54 and 14.9 dB, respectively. Detailed analysis and explanation of the operating behaviors are also presented. (C) 2005 Elsevier B.V. All rights reserved.

Large excitation-power dependence of pressure coefficients of InxGa1-xN/InyGa1-yN quantum wells

Excitation-power dependence of hydrostatic pressure coefficients (dE/dP) of InxGa1-xN/InyGa1-yN multiple quantum wells is reported. When the excitation power increases from 1.0 to 33 mW, dE/dP increases from 26.9 to 33.8 meV/GPa, which is an increase by 25%. A saturation behavior of dE/dP with the excitation power is observed. The increment of dE/dP with increasing carrier density is explained by an reduction of the internal piezoelectric field due to an efficient screening effect of the free carriers on the field.

Determination of the interdiffusion coefficients of liquid Zn and Sn using Ta/Zn-Sn/Si trilayers

In this paper we present a new method for measuring diffusion coefficients in liquid metals under convection-less conditions with solid/liquid-liquid/solid trilayer. The advantage of this kind of trilayer is that effects from gravity-induced convection and Marangoni-convection can be omitted, so that the diffusion coefficient is determined more accurately. The Ta/Zn-Sn/Si trilayer were prepared with a multi-target ion-beam sputtering deposition technique and annealed in an electric furnace under an argon atmosphere. The interdiffusion of liquid zinc and tin at 500 degrees degree C was investigated. The diffusion concentration profiles were determined by energy dispersive spectroscopy. The interdiffusion coefficients range from 1.0x10(-6)cm(2)/s to 2.8x10(-6)cm(2)/s, which is less than previous values measured by capillary reservoir technique under 1g-environment where various convection exist. The precise interdiffusion coefficients of liquid zinc and tin result from the removing of disturbances of various kinds of convection.

Determination of the values of hole-mixing coefficients due to interface and electric field in GaAs/AlxGa1-xAs superlattices

Numerical calculations within the envelope function framework have been performed to analyze the relations between the magnitude of in-plane optical anisotropy and the values of the additional hole-mixing coefficients due to interface and electric field in (001) symmetric GaAs/AlxGa1-xAs superlattices for light propagating along the [001] direction. It is found that the heavy- and light-hole states are mixed independently by interface and electric field. The numeric results demonstrate that the line shape of the in-plane anisotropic spectrum is determined by the ratio of the two hole-mixing coefficients. Theoretical analysis shows that with the help of simple calculation of the anisotropy at k=0, reliable values of the hole-mixing coefficients can be determined by reflectance-difference spectroscopy (IDS) technique, demanding no tedious fitting of experimental curves. The in-plane optical anisotropy measured by RDS provides a new method of getting the information on buried interfaces through the Value of the hole-mixing coefficient due to interface.