Science.gov

Sample records for absorption band shifts

  1. Solvatochromic Shifts on Absorption and Fluorescence Bands of N,N-Dimethylaniline.

    PubMed

    Fdez Galván, Ignacio; Elena Martín, M; Muñoz-Losa, Aurora; Aguilar, Manuel A

    2009-02-10

    A theoretical study of the absorption and fluorescence UV/vis spectra of N,N-dimethylaniline in different solvents has been performed, using a method combining quantum mechanics, molecular mechanics, and the mean field approximation. The transitions between the three lowest-lying states have been calculated in vacuum as well as in cyclohexane, tetrahydrofuran, and water. The apparent anomalies experimentally found in water (a blue shift in the absorption bands with respect to the trend in other solvents, and an abnormally high red shift for the fluorescence band) are well reproduced and explained in view of the electronic structure of the solute and the solvent distribution around it. Additional calculations were done with a mixture of cyclohexane and tetrahydrofuran as solvent, which displays a nonlinear solvatochromic shift. Results, although not conclusive, are consistent with experiment and provide a possible explanation for the nonlinear behavior in the solvent mixture.

  2. Band gap shift and the optical nonlinear absorption of sputtered ZnO-TiO2 films.

    PubMed

    Han, Yi-Bo; Han, Jun-Bo; Hao, Zhong-Hua

    2011-06-01

    ZnO-TiO2 composite films with different Zn/Ti atomic ratios were prepared with radio frequency reactive sputtering method. The Zn percentage composition (f(Zn)) dependent optical band gap and optical nonlinear absorption were investigated using the transmittance spectrum and the Z-scan technique, respectively. The results showed that composite films with f(Zn) in the range of 23.5%-88.3% are poor crystallized and their optical properties are anomalous which exhibit adjustable optical band gap and large optical nonlinear absorption. The optical absorption edge shifted to the blue wavelength direction with the increasing of f(Zn) and reached the minimum value of 285 nm for the sample with f(Zn) = 70.5%, which has the largest direct band gap of 4.30 eV. Further increasing of f(Zn) resulted in the red-shift of the optical absorption edge. The maximum optical nonlinear absorption coefficient of 1.5 x 10(3) cm/GW was also obtained for the same sample with f(Zn) = 70.5%, which is more than 40 times larger than those of pure TiO2 and ZnO films.

  3. Would the solvent effect be the main cause of band shift in the theoretical absorption spectrum of large lanthanide complexes?

    NASA Astrophysics Data System (ADS)

    Freire, Ricardo O.; Rodrigues, Nailton M.; Rocha, Gerd B.; Gimenez, Iara F.; da Costa Junior, Nivan B.

    2011-06-01

    As most reactions take place in solution, the study of solvent effects on relevant molecular properties - either by experimental or theoretical methods - is crucial for the design of new processes and prediction of technological properties. In spite of this, only few works focusing the influence of the solvent nature specifically on the spectroscopic properties of lanthanide complexes can be found in the literature. The present work describes a theoretical study of the solvent effect on the prediction of the absorption spectra for lanthanide complexes, but other possible relevant factors have been also considered such as the molecular geometry and the excitation window used for interaction configuration (CI) calculations. The [Eu(ETA) 2· nH 2O] +1 complex has been chosen as an ideal candidate for this type of study due to its small number of atoms (only 49) and also because the absorption spectrum exhibits a single band. Two Monte Carlo simulations were performed, the first one considering the [Eu(ETA) 2] +1 complex in 400 water molecules, evidencing that the complex presents four coordinated water molecules. The second simulation considered the [Eu(ETA) 2·4H 2O] +1 complex in 400 ethanol molecules, in order to evaluate the solvent effect on the shift of the maximum absorption in calculated spectra, compared to the experimental one. Quantum chemical studies were also performed in order to evaluate the effect of the accuracy of calculated ground state geometry on the prediction of absorption spectra. The influence of the excitation window used for CI calculations on the spectral shift was also evaluated. No significant solvent effect was found on the prediction of the absorption spectrum for [Eu(ETA) 2·4H 2O] +1 complex. A small but significant effect of the ground state geometry on the transition energy and oscillator strength was also observed. Finally it must be emphasized that the absorption spectra of lanthanide complexes can be predicted with great accuracy

  4. Water-vapor absorption line measurements in the 940-nm band by using a Raman-shifted dye laser

    NASA Technical Reports Server (NTRS)

    Chu, Zhiping; Wilkerson, Thomas D.; Singh, Upendra N.

    1993-01-01

    We report water-vapor absorption line measurements that are made by using the first Stokes radiation (930-982 nm) with HWHM 0.015/cm generated by a narrow-linewidth, tunable dye laser. Forty-five absorption line strengths are measured with an uncertainty of 6 percent and among them are fourteen strong lines that are compared with previous measurements for the assessment of spectral purity of the light source. Thirty air-broadened linewidths are measured with 8 percent uncertainty at ambient atmospheric pressure with an average of 0.101/cm. The lines are selected for the purpose of temperature-sensitive or temperature-insensitive lidar measurements. Results for these line strengths and linewidths are corrected for broadband radiation and finite laser linewidth broadening effects and compared with the high-resolution transmission molecular absorption.

  5. Absorption intensity changes and frequency shifts of fundamental and first overtone bands for OH stretching vibration of methanol upon methanol-pyridine complex formation in CCl4: analysis by NIR/IR spectroscopy and DFT calculations.

    PubMed

    Futami, Yoshisuke; Ozaki, Yasushi; Ozaki, Yukihiro

    2016-02-21

    Infrared (IR) and near infrared (NIR) spectra were measured for methanol and the methanol-pyridine complex in carbon tetrachloride. Upon the formation of the methanol-pyridine complex, the frequencies of both the fundamental and first overtone bands of the OH stretching vibration shifted to lower frequencies, and the absorption intensity of the fundamental increased significantly, while that of the first overtone decreased markedly. By using quantum chemical calculations, we estimated the absorption intensities and frequencies of the fundamental and first overtone bands for the OH stretching vibration based on the one-dimensional Schrödinger equation. The calculated results well reproduced the experimental results. The molecular vibration potentials and dipole moment functions of the OH stretching vibration modes were compared between methanol and the methanol-pyridine complex in terms of absorption intensity changes and frequency shifts. The large change in the dipole moment function was found to be the main cause for the variations in absorption intensity for the fundamental and first overtone bands.

  6. Inhomogeneous broadening and peak shift of the 7.6 eV optical absorption band of oxygen vacancies in SiO2

    NASA Astrophysics Data System (ADS)

    Kajihara, Koichi; Skuja, Linards; Hosono, Hideo

    2014-10-01

    The peak parameters of radiation-induced 7.6 eV optical absorption band of oxygen vacancies (Si-Si bonds) were examined for high-purity synthetic α-quartz and amorphous SiO2 (a-SiO2) exposed to 60Co γ-rays. The peak shape is asymmetric with the steeper edge at the lower energy side both in α-quartz and a-SiO2, and the peak energy is larger for α-quartz than that for a-SiO2. The full width at half maximum for a-SiO2 is larger by ˜40-60% than that for α-quartz, and it increases with an increase in the disorder of the a-SiO2 network, which is enhanced by raising the temperature of preannealing before irradiation, i.e., fictive temperature. These data are interpreted from the viewpoint of the site-to-site distribution of the Si-Si bond length in a-SiO2.

  7. Inhomogeneous broadening and peak shift of the 7.6 eV optical absorption band of oxygen vacancies in SiO{sub 2}

    SciTech Connect

    Kajihara, Koichi; Skuja, Linards; Hosono, Hideo

    2014-10-21

    The peak parameters of radiation-induced 7.6 eV optical absorption band of oxygen vacancies (Si-Si bonds) were examined for high-purity synthetic α-quartz and amorphous SiO{sub 2} (a‐SiO{sub 2}) exposed to {sup 60}Co γ-rays. The peak shape is asymmetric with the steeper edge at the lower energy side both in α-quartz and a‐SiO{sub 2}, and the peak energy is larger for α-quartz than that for a‐SiO{sub 2}. The full width at half maximum for a‐SiO{sub 2} is larger by ∼40-60% than that for α-quartz, and it increases with an increase in the disorder of the a‐SiO{sub 2} network, which is enhanced by raising the temperature of preannealing before irradiation, i.e., fictive temperature. These data are interpreted from the viewpoint of the site-to-site distribution of the Si-Si bond length in a‐SiO{sub 2}.

  8. Atmospheric Solar Heating in Minor Absorption Bands

    NASA Technical Reports Server (NTRS)

    Chou, Ming-Dah

    1998-01-01

    Solar radiation is the primary source of energy driving atmospheric and oceanic circulations. Concerned with the huge computing time required for computing radiative transfer in weather and climate models, solar heating in minor absorption bands has often been neglected. The individual contributions of these minor bands to the atmospheric heating is small, but collectively they are not negligible. The solar heating in minor bands includes the absorption due to water vapor in the photosynthetically active radiation (PAR) spectral region from 14284/cm to 25000/cm, the ozone absorption and Rayleigh scattering in the near infrared, as well as the O2 and CO2 absorption in a number of weak bands. Detailed high spectral- and angular-resolution calculations show that the total effect of these minor absorption is to enhance the atmospheric solar heating by approximately 10%. Depending upon the strength of the absorption and the overlapping among gaseous absorption, different approaches are applied to parameterize these minor absorption. The parameterizations are accurate and require little extra time for computing radiative fluxes. They have been efficiently implemented in the various atmospheric models at NASA/Goddard Space Flight Center, including cloud ensemble, mesoscale, and climate models.

  9. Absorption band Q model for the Earth

    NASA Technical Reports Server (NTRS)

    Anderson, D. L.; Given, J. W.

    1981-01-01

    Attenuation in solids and liquids, as measured by the quality factor Q, is typically frequency dependent. In seismology, however, Q is usually assumed to be independent of frequency. Body wave, surface wave, and normal mode data are used to place constraints on the frequency dependence of Q in the mantle. Specific features of the absorption band model are: low-Q in the seismic band at both the top and the base of the mantle, low-Q for long-period body waves in the outer core, an inner core Q sub s that increases with period, and low Q sub p/Q sub s at short periods in the middle mantle.

  10. Varied absorption peaks of dual-band metamaterial absorber analysis by using reflection theory

    NASA Astrophysics Data System (ADS)

    Xiong, Han; Yu, Yan-Tao; Tang, Ming-Chun; Chen, Shi-Yong; Liu, Dan-Ping; Ou, Xiang; Zeng, Hao

    2016-03-01

    Cross-resonator metamaterial absorbers (MMA) have been widely investigated from microwave to optical frequencies. However, only part of the factors influencing the absorption properties were analyzed in previous works at the same time. In order to completely understand how the spacer thickness, dielectric parameter and incidence angle affect the absorption properties of the dual-band MMA, two sets of simulation were performed. It was found that with increasing incident angles, the low-frequency absorption peak showed a blue shift, while the high-frequency absorption peaks showed a red shift. However, with the increase in spacer thickness, both of the absorption peaks showed a red shift. By using the reflection theory expressions, the physical mechanism of the cross-resonator MMA was well explained. This method provides an effective way to analyze multi-band absorber in technology.

  11. e-beam irradiation effects on IR absorption bands in single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Ichida, Masao; Nagao, Katsunori; Ikemoto, Yuka; Okazaki, Toshiya; Miyata, Yasumitsu; Kawakami, Akira; Kataura, Hiromichi; Umezu, Ikurou; Ando, Hiroaki

    2017-01-01

    We have measured the absorption and Raman spectral change induced by the irradiation of e-beam. By the irradiation of e-beam on SWNTs thin films, the intensity of defect related Raman band increase, and the peak energy of IR absorption bands shift to the higher energy side. These results indicate that the origin of infrared band is due to the plasmon resonance of finite-length SWNT. We have estimated the effective tube length and defect density from IR absorption peak energy.

  12. Conformational statistics of molecules with inner rotation and shapes of their electronic absorption bands

    SciTech Connect

    Aver`yanov, E.M.

    1994-10-01

    The effect of conformational statistics of molecules with inner rotation of {pi}-conjugated fragments on the position, intensity, and electronic absorption band shapes is studied in isotropic molecular media. It is shown that the conformational disorder of molecules with one inner rotation degree of freedom exerts an appreciable effect on the shift, inhomogeneous broadening, and asymmetry of the electronic absorption bands. An interpretation of the available experimental data is give. 19 refs., 1 fig.

  13. Temperature shift of intraband absorption peak in tunnel-coupled QW structure

    NASA Astrophysics Data System (ADS)

    Akimov, V.; Firsov, D. A.; Duque, C. A.; Tulupenko, V.; Balagula, R. M.; Vinnichenko, M. Ya.; Vorobjev, L. E.

    2017-04-01

    An experimental study of the intersubband light absorption by the 100-period GaAs/Al0.25Ga0.75As double quantum well heterostructure doped with silicon is reported and interpreted. Small temperature redshift of the 1-3 intersubband absorption peak is detected. Numerical calculations of the absorption coefficient including self-consistent Hartree calculations of the bottom of the conduction band show good agreement with the observed phenomena. The temperature dependence of energy gap of the material and the depolarization shift should be accounted for to explain the shift.

  14. Triple-band metamaterial absorption utilizing single rectangular hole

    NASA Astrophysics Data System (ADS)

    Kim, Seung Jik; Yoo, Young Joon; Kim, Young Ju; Lee, YoungPak

    2017-01-01

    In the general metamaterial absorber, the single absorption band is made by the single meta-pattern. Here, we introduce the triple-band metamaterial absorber only utilizing single rectangular hole. We also demonstrate the absorption mechanism of the triple absorption. The first absorption peak was caused by the fundamental magnetic resonance in the metallic part between rectangular holes. The second absorption was generated by induced tornado magnetic field. The process of realizing the second band is also presented. The third absorption was induced by the third-harmonic magnetic resonance in the metallic region between rectangular holes. In addition, the visible-range triple-band absorber was also realized by using similar but smaller single rectangular-hole structure. These results render the simple metamaterials for high frequency in large scale, which can be useful in the fabrication of metamaterials operating in the optical range.

  15. Thermal frequency shift and tunable microwave absorption in BiFeO3 family

    PubMed Central

    Li, Yong; Fang, Xiaoyong; Cao, Maosheng

    2016-01-01

    Tunable frequency is highly sought-after task of researcher, because of the potential for applications in selecting frequency, absorber, imaging and biomedical diagnosis. Here, we report the original observation of thermal frequency shift of dielectric relaxation in La/Nd doped BiFeO3 (BFO) in X-band from 300 to 673 K. It exhibits an unexpected result: the relaxation shifts to lower frequency with increasing temperature. The relaxation maximally shifts about a quarter of X-band. The nonlinear term of lattice vibration plays an important role in the frequency shift. The frequency shift leads to tuning microwave absorption, which almost covers the whole X-band by changing temperature. Meanwhile, the great increase of dielectric loss of La/Nd doped BFO due to thermal excited electron hopping enhances microwave absorption above ~460 and ~480 K, respectively. The microwave absorption of La/Nd doped BFO surpasses −20 dB at 673 K, and the minimum reflection loss of La doped BFO reaches −39 dB. These results open a new pathway to develop BFO-based materials in electromagnetic functional materials and devices for tunable frequency, stealth and thermal imaging at long wavelength. PMID:27093897

  16. Absorption enhancement of a dual-band metamaterial absorber

    NASA Astrophysics Data System (ADS)

    Zhong, Min; Han, Gui Ming; Liu, Shui Jie; Xu, Bang Li; Wang, Jie; Huang, Hua Qing

    2017-02-01

    In this paper, we propose and fabricate a dual-band metamaterial absorber in 6-24 THz region. Electric field distribution reveal that the first absorption band is obtained from localized surface plasmon (LSP) modes which are excited both on inside and outside edges of each circular-patterned metal-dielectric stack, while the second absorption band is excited by LSP modes on outside edges of each stack. Measured results indicate that the absorption band width can be tuned by increasing the radius of circular-patterned layers or reducing the thickness of dielectric spacing layers. Moreover, the designed dual-band metamaterial absorber is independent on circular-patterned dielectric layer combinations.

  17. Sizeable red-shift of absorption and fluorescence of subporphyrazine induced by peripheral push and pull substitution.

    PubMed

    Liang, Xu; Shimizu, Soji; Kobayashi, Nagao

    2014-11-18

    Peripheral substitution with electron-donating (push) and electron-withdrawing (pull) substituents caused a sizeable red-shift of the Q band absorption and fluorescence of subporphyrazine, and the red-shift was controlled by the push substituents. Control of the chromophore symmetry and inherent molecular chirality arising from the pattern of substitution were also investigated.

  18. Interpretation of absorption bands in airborne hyperspectral radiance data.

    PubMed

    Szekielda, Karl H; Bowles, Jeffrey H; Gillis, David B; Miller, W David

    2009-01-01

    It is demonstrated that hyperspectral imagery can be used, without atmospheric correction, to determine the presence of accessory phytoplankton pigments in coastal waters using derivative techniques. However, care must be taken not to confuse other absorptions for those caused by the presence of pigments. Atmospheric correction, usually the first step to making products from hyperspectral data, may not completely remove Fraunhofer lines and atmospheric absorption bands and these absorptions may interfere with identification of phytoplankton accessory pigments. Furthermore, the ability to resolve absorption bands depends on the spectral resolution of the spectrometer, which for a fixed spectral range also determines the number of observed bands. Based on this information, a study was undertaken to determine under what circumstances a hyperspectral sensor may determine the presence of pigments. As part of the study a hyperspectral imager was used to take high spectral resolution data over two different water masses. In order to avoid the problems associated with atmospheric correction this data was analyzed as radiance data without atmospheric correction. Here, the purpose was to identify spectral regions that might be diagnostic for photosynthetic pigments. Two well proven techniques were used to aid in absorption band recognition, the continuum removal of the spectra and the fourth derivative. The findings in this study suggest that interpretation of absorption bands in remote sensing data, whether atmospherically corrected or not, have to be carefully reviewed when they are interpreted in terms of photosynthetic pigments.

  19. Interpretation of Absorption Bands in Airborne Hyperspectral Radiance Data

    PubMed Central

    Szekielda, Karl H.; Bowles, Jeffrey H.; Gillis, David B.; Miller, W. David

    2009-01-01

    It is demonstrated that hyperspectral imagery can be used, without atmospheric correction, to determine the presence of accessory phytoplankton pigments in coastal waters using derivative techniques. However, care must be taken not to confuse other absorptions for those caused by the presence of pigments. Atmospheric correction, usually the first step to making products from hyperspectral data, may not completely remove Fraunhofer lines and atmospheric absorption bands and these absorptions may interfere with identification of phytoplankton accessory pigments. Furthermore, the ability to resolve absorption bands depends on the spectral resolution of the spectrometer, which for a fixed spectral range also determines the number of observed bands. Based on this information, a study was undertaken to determine under what circumstances a hyperspectral sensor may determine the presence of pigments. As part of the study a hyperspectral imager was used to take high spectral resolution data over two different water masses. In order to avoid the problems associated with atmospheric correction this data was analyzed as radiance data without atmospheric correction. Here, the purpose was to identify spectral regions that might be diagnostic for photosynthetic pigments. Two well proven techniques were used to aid in absorption band recognition, the continuum removal of the spectra and the fourth derivative. The findings in this study suggest that interpretation of absorption bands in remote sensing data, whether atmospherically corrected or not, have to be carefully reviewed when they are interpreted in terms of photosynthetic pigments. PMID:22574053

  20. Increasing efficiency in intermediate band solar cells with overlapping absorptions

    NASA Astrophysics Data System (ADS)

    Krishna, Akshay; Krich, Jacob J.

    2016-07-01

    Intermediate band (IB) materials are promising candidates for realizing high efficiency solar cells. In IB photovoltaics, photons are absorbed in one of three possible electronic transitions—valence to conduction band, valence to intermediate band, or intermediate to conduction band. With fully concentrated sunlight, when the band gaps have been chosen appropriately, the highest efficiency IB solar cells require that these three absorptions be non-overlapping, so absorbed photons of fixed energy contribute to only one transition. The realistic case of overlapping absorptions, where the transitions compete for photons, is generally considered to be a source of loss. We show that overlapping absorptions can in fact lead to significant improvements in IB solar cell efficiencies, especially for IB that are near the middle of the band gap. At low to moderate concentration, the highest efficiency requires overlapping absorptions. We use the detailed-balance method and indicate how much overlap of the absorptions is required to achieve efficiency improvements, comparing with some known cases. These results substantially broaden the set of materials that can be suitable for high-efficiency IB solar cells.

  1. Spectrophotometer spectral bandwidth calibration with absorption bands crystal standard.

    PubMed

    Soares, O D; Costa, J L

    1999-04-01

    A procedure for calibration of a spectral bandwidth standard for high-resolution spectrophotometers is described. Symmetrical absorption bands for a crystal standard are adopted. The method relies on spectral band shape fitting followed by a convolution with the slit function of the spectrophotometer. A reference spectrophotometer is used to calibrate the spectral bandwidth standard. Bandwidth calibration curves for a minimum spectral transmission factor relative to the spectral bandwidth of the reference spectrophotometer are derived for the absorption bands at the wavelength of the band absorption maximum. The family of these calibration curves characterizes the spectral bandwidth standard. We calibrate the spectral bandwidth of a spectrophotometer with respect to the reference spectrophotometer by determining the spectral transmission factor minimum at every calibrated absorption band of the bandwidth standard for the nominal instrument values of the spectral bandwidth. With reference to the standard spectral bandwidth calibration curves, the relation of the spectral bandwidth to the reference spectrophotometer is determined. We determine the discrepancy in the spectrophotometers' spectral bandwidths by averaging the spectral bandwidth discrepancies relative to the standard calibrated values found at the absorption bands considered. A weighted average of the uncertainties is taken.

  2. Photonic band-edge-induced enhancement in absorption and emission

    NASA Astrophysics Data System (ADS)

    Ummer, Karikkuzhi Variyath; Vijaya, Ramarao

    2015-01-01

    An enhancement in photonic band-edge-induced absorption and emission from rhodamine-B dye doped polystyrene pseudo gap photonic crystals is studied. The band-edge-induced enhancement in absorption is achieved by selecting the incident angle of the excitation beam so that the absorption spectrum of the emitter overlaps the photonic band edge. The band-edge-induced enhancement in emission, on the other hand, is possible with and without an enhancement in band-edge-induced absorption, depending on the collection angle of emission. Through a simple set of measurements with suitably chosen angles for excitation and emission, we achieve a maximum enhancement of 70% in emission intensity with band-edge-induced effects over and above the intrinsic emission in the case of self-assembled opals. This is a comprehensive effort to interpret tunable lasing in opals as well as to predict the wavelength of lasing arising as a result of band-edge-induced distributed feedback effects.

  3. Glucose Absorption by the Bacillary Band of Trichuris muris

    PubMed Central

    Hansen, Michael; Nejsum, Peter; Mejer, Helena; Denwood, Matthew; Thamsborg, Stig M.

    2016-01-01

    Background A common characteristic of Trichuris spp. infections in humans and animals is the variable but low efficacy of single-dose benzimidazoles currently used in mass drug administration programmes against human trichuriasis. The bacillary band, a specialised morphological structure of Trichuris spp., as well as the unique partly intracellular habitat of adult Trichuris spp. may affect drug absorption and perhaps contribute to the low drug accumulation in the worm. However, the exact function of the bacillary band is still unknown. Methodology We studied the dependency of adult Trichuris muris on glucose and/or amino acids for survival in vitro and the absorptive function of the bacillary band. The viability of the worms was evaluated using a motility scale from 0 to 3, and the colorimetric assay Alamar Blue was utilised to measure the metabolic activity. The absorptive function of the bacillary band in living worms was explored using a fluorescent glucose analogue (6-NBDG) and confocal microscopy. To study the absorptive function of the bacillary band in relation to 6-NBDG, the oral uptake was minimised or excluded by sealing the oral cavity with glue and agarose. Principal Findings Glucose had a positive effect on both the motility (p < 0.001) and metabolic activity (p < 0.001) of T. muris in vitro, whereas this was not the case for amino acids. The 6-NBDG was observed in the pores of the bacillary band and within the stichocytes of the living worms, independent of oral sealing. Conclusions/Significance Trichuris muris is dependent on glucose for viability in vitro, and the bacillary band has an absorptive function in relation to 6-NBDG, which accumulates within the stichocytes. The absorptive function of the bacillary band calls for an exploration of its possible role in the uptake of anthelmintics, and as a potential anthelmintic target relevant for future drug development. PMID:27588682

  4. Electronic Band Structure and Sub-band-gap Absorption of Nitrogen Hyperdoped Silicon.

    PubMed

    Zhu, Zhen; Shao, Hezhu; Dong, Xiao; Li, Ning; Ning, Bo-Yuan; Ning, Xi-Jing; Zhao, Li; Zhuang, Jun

    2015-05-27

    We investigated the atomic geometry, electronic band structure, and optical absorption of nitrogen hyperdoped silicon based on first-principles calculations. The results show that all the paired nitrogen defects we studied do not introduce intermediate band, while most of single nitrogen defects can introduce intermediate band in the gap. Considering the stability of the single defects and the rapid resolidification following the laser melting process in our sample preparation method, we conclude that the substitutional nitrogen defect, whose fraction was tiny and could be neglected before, should have considerable fraction in the hyperdoped silicon and results in the visible sub-band-gap absorption as observed in the experiment. Furthermore, our calculations show that the substitutional nitrogen defect has good stability, which could be one of the reasons why the sub-band-gap absorptance remains almost unchanged after annealing.

  5. Shape of impurity electronic absorption bands in nematic liquid crystal

    SciTech Connect

    Aver`yanov, E.M.

    1994-11-01

    The impurity-matrix anisotropic static intermolecular interactions, orientation-statistical properties, and electronic structure of uniaxial impurity molecules are shown to have a significant influence on spectral moments of the electronic absorption bands of impurities in the nematic liquid crystal. 14 refs., 3 figs.

  6. Constraints on the absorption band model of Q

    NASA Astrophysics Data System (ADS)

    Lundquist, Gary M.; Cormier, Vernon C.

    1980-10-01

    First order models for the combined depth and frequency dependence of Q are derived and tested using several independent constraints. (1) Using a microphysics approach, the adoption of an absorption band as a first-order model for the frequency dependence of Q is justified, and the expected depth behavior of relaxation times in the earth is derived. The significant new parameter in this model of Q is τ2, the period at the half-amplitude point of the high frequency end of the absorption band. (2) Using observed body-wave spectra, the existence of a frequency dependence in Q is proved, and the average location of that frequency dependence (i.e., τ2) is estimated to be in the range 1 to 2.5 Hz. (3) Under the constraints of Q model ratios, the depth dependence of τ2 is estimated by assuming that a free-oscillation and a body-wave Q model both measure Q from the same absorption band. The resulting τ2 is about 0.04 s in the upper 200 km and then increases exponentially with depth in the mantle to about 1.9 at the core mantle boundary. The Q model ratios are better satisfied if a second absorption band is hypothesized to operate in the depth range of the asthenosphere. In that case, τ2 for the mantle absorption band varies from about 0.09 s in the first 200 km to 4.0 s at 2886 km, and τ2 for the asthenosphere absorption band is about 0.005 s in the depth range 35-220 km. (4) Both classes of Q models are tested in the time domain using synthetic seismograms of Russian and American nuclear explosions. Although trade-offs between source and mantle transfer functions preclude further refinement of the models at this time, a compatibility is demonstrated between the double absorption band model and time domain constraints, including arrival time and pulse shape.

  7. Concerning the Optical Absorption Band of the Hydrated Electron,

    DTIC Science & Technology

    methylene blue ) showed marked nonlinear absorption due to saturation of optical transitions, no such change was observed for hydrated electrons even though the light intensity was varied by > 10 to the 7th power up to 200 photons per hydrated electron per sq cm. Consequently the photoexcited state lifetime is estimated to be than 6 x 10 to the -12th power sec. This finding is discussed briefly in terms of three possible origins for the absorption band, namely that involving excitation to a bound excited state, as a photoionization efficiency profile or as a distribution

  8. Azimuthal Doppler shift of absorption spectrum in optical vortex laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Yoshimura, Shinji; Aramaki, Mitsutoshi; Ozawa, Naoya; Terasaka, Kenichiro; Tanaka, Masayoshi; Nagaoka, Kenichi; Morisaki, Tomohiro

    2016-10-01

    Laser spectroscopy is a powerful diagnostic tool for measuring the mean flow velocity of plasma particles. We have been developing a new laser spectroscopy method utilizing an optical vortex beam, which has helical phase fronts corresponding to the phase change in the azimuthal direction. Because of this phase change, a Doppler effect is experienced even by an atom crossing the beam vertically. The additional azimuthal Doppler shift is proportional to the topological charge of optical vortex and is inversely proportional to the distance from the beam axis in which the beam intensity is vanished by destructive interference or the phase singularity. In order to detect the azimuthal Doppler shift, we have performed a laser absorption spectroscopy experiment with the linear ECR plasma device HYPER-I. Since the azimuthal Doppler shift depends on a position in the beam cross section, the absorption spectra at various positions were reconstructed from the transmitted beam intensity measured by a beam profiler. We have observed a clear spatial dependence of the Doppler shift, which qualitatively agreed with theory. Detailed experimental results, as well as remaining issues and future prospect, will be discussed at the meeting. This study was partially supported by JAPS KAKENHI Grand Numbers 15K05365 and 25287152.

  9. Detection of metal stress in boreal forest species using the 0.67-micron chlorophyll absorption band

    NASA Technical Reports Server (NTRS)

    Singhroy, Vernon H.; Kruse, Fred A.

    1991-01-01

    Several recent studies have shown that a shift of the red-edge inflection near 0.70 micron in vegetation reflectance spectra is an indicator of metal stress, partially attributable to changes in chlorophyll concentration. This 'red-edge shift', however, is difficult to detect and has been reported both toward longer (red) and shorter (blue) wavelengths. Our work demonstrates that direct measurement of the depth and width of the chlorophyll absorption band at 0.67 micron using digital feature extraction and absorption band characterization procedures developed for the analysis of mineral spectra is a more consistent indicator of metal stress. Additionally, the magnitude of these parameters is generally greater than that of the red edge shift and thus should be more amenable to detection and mapping using field and aircraft spectrometers.

  10. Investigation of band gap narrowing in nitrogen-doped La2Ti2O7 with transient absorption spectroscopy.

    PubMed

    Yost, Brandon T; Cushing, Scott K; Meng, Fanke; Bright, Joeseph; Bas, Derek A; Wu, Nianqiang; Bristow, Alan D

    2015-12-14

    Doping a semiconductor can extend the light absorption range, however, it usually introduces mid-gap states, reducing the charge carrier lifetime. This report shows that doping lanthanum dititinate (La2Ti2O7) with nitrogen extends the valence band edge by creating a continuum of dopant states, increasing the light absorption edge from 380 nm to 550 nm without adding mid-gap states. The dopant states are experimentally resolved in the excited state by correlating transient absorption spectroscopy with a supercontinuum probe and DFT prediction. The lack of mid-gap states is further confirmed by measuring the excited state lifetimes, which reveal the shifted band edge only increased carrier thermalization rates to the band edge and not interband charge recombination under both ultraviolet and visible excitation. Terahertz (time-domain) spectroscopy also reveals that the conduction mechanism remains unchanged after doping, suggesting the states are delocalized.

  11. The light-induced carotenoid absorbance changes in Rhodopseudomonas sphaeroides: an analysis and interpretation of the band shifts.

    PubMed

    Symons, M; Swysen, C; Sybesma, C

    1977-12-23

    An analysis has been made of the spectrum of the carotenoid absorption band shift generated by continuous illumination of chromatophores of the GlC-mutant of Rhodopseudomonas sphaeroides at room temperature by means of three computer programs. There appears to be at least two pools of the same carotenoid, only one of which, comprising about 20% of the total carotenoid content, is responsible for the light-induced absorbance changes. The 'remaining' pool absorbs at wavelengths which were about 5 nm lower than those at which the 'changing' pool absorbs. This difference in absorption wavelength could indicate that the two pools are influenced differently by permanent local electric fields. The electrochromic origin of the absorbance changes has been demonstrated directly; the isosbestic points of the absorption difference spectrum move to shorter wavelengths upon lowering of the light-induced electric field. Band shifts up to 1.7 nm were observed. A comparison of the light-induced absorbance changes with a KCl-valinomycin-induced diffusion potential has been used to calibrate the electrochromic shifts. The calibration value appeared to be 137 +/- 6 mV per nm shift.

  12. Measurements of pressure-induced shifts in the 1-0 and 2-0 bands of HF and in the 2-0 bands of HCl-35 and HCl-37. [for planetary atmosphere IR spectroscopy

    NASA Technical Reports Server (NTRS)

    Guelachvili, G.; Smith, M. A. H.

    1978-01-01

    Fourier absorption spectra of HCl and HF measured at room temperature and low pressures were found to indicate pressure-induced shifts of the spectral lines at gas pressures of only 10 torr. Self-induced shifts were determined for the HF 2-0 band and for the HCl-35 and HCl-37 2-0 bands, and shift oscillations in the 2-0 bands due to near-resonant dipole-dipole interactions between the two gases were also evaluated. Separate measurements of pressure-induced shifts in the HF 1-0 and 2-0 bands and in both isotopic HCl bands were obtained using argon, neon, nitrogen, and CO2 separately as the perturbing gases.

  13. Doping-Induced Absorption Bands in P3HT: Polarons and Bipolarons.

    PubMed

    Enengl, Christina; Enengl, Sandra; Pluczyk, Sandra; Havlicek, Marek; Lapkowski, Mieczyslaw; Neugebauer, Helmut; Ehrenfreund, Eitan

    2016-12-05

    In this work, we focus on the formation of different kinds of charge carriers such as polarons and bipolarons upon p-type doping (oxidation) of the organic semiconductor poly(3- hexylthiophene-2,5-diyl) (P3HT). We elucidate the cyclic voltammogram during oxidation of this polymer and present spectroscopic changes upon doping in the UV/Vis/near-IR range as well as in the mid-IR range. In the low-oxidation regime, two absorption bands related to sub-gap transitions appear, one in the UV/Vis range and another one in the mid-IR range. The UV/Vis absorption gradually decreases upon further doping while the mid-IR absorption shifts to lower energy. Additionally, electron paramagnetic resonance (EPR) measurements are performed, showing an increase of the EPR signal up to a certain doping level, which significantly decreases upon further doping. Furthermore, the absorption spectra in the UV/Vis range are analyzed in relation to the morphology (crystalline vs. amorphous) by using theoretical models. Finally, the calculated charge carriers from cyclic voltammogram are linked together with optical transitions as well as with the EPR signals upon p-type doping. We stress that our results indicate the formation of polarons at low doping levels and the existence of bipolarons at high doping levels. The presented spectroscopic data are an experimental evidence of the formation of bipolarons in P3HT.

  14. Absorption band III kinetics probe the picosecond heme iron motion triggered by nitric oxide binding to hemoglobin and myoglobin.

    PubMed

    Yoo, Byung-Kuk; Kruglik, Sergei G; Lamarre, Isabelle; Martin, Jean-Louis; Negrerie, Michel

    2012-04-05

    To study the ultrafast movement of the heme iron induced by nitric oxide (NO) binding to hemoglobin (Hb) and myoglobin (Mb), we probed the picosecond spectral evolution of absorption band III (∼760 nm) and vibrational modes (iron-histidine stretching, ν(4) and ν(7) in-plane modes) in time-resolved resonance Raman spectra. The time constants of band III intensity kinetics induced by NO rebinding (25 ps for hemoglobin and 40 ps for myoglobin) are larger than in Soret bands and Q-bands. Band III intensity kinetics is retarded with respect to NO rebinding to Hb and to Mb. Similarly, the ν((Fe-His)) stretching intensity kinetics are retarded with respect to the ν(4) and ν(7) heme modes and to Soret absorption. In contrast, band III spectral shift kinetics do not coincide with band III intensity kinetics but follows Soret kinetics. We concluded that, namely, the band III intensity depends on the heme iron out-of-plane position, as theoretically predicted ( Stavrov , S. S. Biopolymers 2004 , 74 , 37 - 40 ).

  15. Temperature Dependences of Air-Broadening and Shift Parameters in the ν_3 Band of Ozone

    NASA Astrophysics Data System (ADS)

    Smith, Mary Ann H.; Devi, V. Malathy; Benner, D. Chris

    2015-06-01

    Line parameter errors can contribute significantly to the total errors in retrievals of terrestrial atmospheric ozone concentration profiles using the strong 9.6-μm band, particularly for nadir-viewing experiments Detailed knowledge of the interfering ozone signal is also needed for retrievals of other atmospheric species in this spectral region. We have determined Lorentz air-broadening and pressure-induced shift coefficients along with their temperature dependences for a number of transitions in the ν_3 fundamental band of 16O_3. These results were obtained by applying the multispectrum nonlinear least-squares fitting technique to a set of 31 high-resolution infrared absorption spectra of O_3 recorded at temperatures between 160 and 300 K with several different room-temperature and coolable sample cells at the McMath-Pierce Fourier transform spectrometer at the National Solar Observatory on Kitt Peak. We compare our results with other available measurements and with the ozone line parameters in the HITRAN database. J.~Worden et al., J.~Geophys.~Res. 109 (2004) 9308-9319. R.~Beer et al., Geophys.~Res.~Lett. 35 (2008) L09801. D.~Chris Benner et al., JQSRT 53 (1995) 705-721. Rothman et al., J. Quant. Spectrosc. Radiat. Transfer 130 (2013) 4. JQSRT 130 (2013) 4-50.

  16. Air-Broadening and Shift Parameters in the ν_3 Band of Ozone

    NASA Astrophysics Data System (ADS)

    Smith, M. A. H.; Devi, V. Malathy; Benner, D. Chris

    2013-06-01

    Line parameter errors can contribute significantly to the total errors in retrievals of terrestrial atmospheric ozone concentration profiles using the strong 9.6-μm band, particularly for nadir-viewing experiments Detailed knowledge of the interfering ozone signal is also needed for retrievals of other atmospheric species in this spectral region. We have determined Lorentz air-broadening and pressure-induced shift coefficients along with their temperature dependences for a number of transitions in the ν_3 fundamental band of ^{16}O_3. These results were obtained by applying the multispectrum nonlinear least-squares fitting technique to a set of 31 high-resolution infrared absorption spectra of O_3 previously recorded at temperatures between 160 and 300 K with several different room-temperature and coolable sample cells at the McMath-Pierce Fourier transform spectrometer at the National Solar Observatory on Kitt Peak. We compare our results with other available measurements and with the ozone line parameters in the 2008 HITRAN database. J. Worden {et al., J. Geophys. Res. {109} (2004) 9308-9319.}. R. Beer {et al., Geophys. Res. Lett. {35} (2008) L09801. D. Chris Benner {et al., JQSRT {53} (1995) 705-721. L. S. Rothman {et al., JQSRT {110} (2009) 533-572.

  17. INTERACTION OF LASER RADIATION WITH MATTER: Individual induced absorption bands in MgF2

    NASA Astrophysics Data System (ADS)

    Sergeev, A. P.; Sergeev, P. B.

    2008-03-01

    The absorption spectra of MgF2 samples exposed to an electron beam and laser radiation at 248, 308, and 372 nm are investigated. Fourteen individual absorption bands are separated in the spectra. The parameters of the eight spectra of them are obtained for the first time. The separated bands are assigned to the intrinsic defects of the MgF2 crystal.

  18. Predicting the Shifts of Absorption Maxima of Azulene Derivatives Using Molecular Modeling and ZINDO CI Calculations of UV-Vis Spectra

    ERIC Educational Resources Information Center

    Patalinghug, Wyona C.; Chang, Maharlika; Solis, Joanne

    2007-01-01

    The deep blue color of azulene is drastically changed by the addition of substituents such as CH[subscript 3], F, or CHO. Computational semiempirical methods using ZINDO CI are used to model azulene and azulene derivatives and to calculate their UV-vis spectra. The calculated spectra are used to show the trends in absorption band shifts upon…

  19. Below-band-gap absorption in undoped GaAs at elevated temperatures

    NASA Astrophysics Data System (ADS)

    Wasiak, Michał; Walczak, Jarosław; Motyka, Marcin; Janiak, Filip; Trajnerowicz, Artur; Jasik, Agata

    2017-02-01

    This paper presents results of measurements of optical absorption in undoped epitaxial GaAs for photon energies below the band gap. Absorption spectra were determined from transmission spectra of a thin GaAs layer at several temperatures between 25 °C and 205 °C. We optimized our experiment to investigate the long-wavelength part of the spectrum, where the absorption is relatively low, but significant from the point of view of applications of GaAs in semiconductor lasers. Absorption of 100 cm-1 was observed over 30 nm below the band gap at high temperatures.

  20. Structural diversity of the 3-micron absorption band in Enceladus’ plume from Cassini VIMS: Insights into subsurface environmental conditions

    NASA Astrophysics Data System (ADS)

    Dhingra, Deepak; Hedman, Matthew M.; Clark, Roger N.

    2015-11-01

    Water ice particles in Enceladus’ plume display their diagnostic 3-micron absorption band in Cassini VIMS data. These near infrared measurements of the plume also exhibit noticeable variations in the character of this band. Mie theory calculations reveal that the shape and location of the 3-micron band are controlled by a number of environmental and structural parameters. Hence, this band provides important insights into the properties of the water ice grains and about the subsurface environmental conditions under which they formed. For example, the position of the 3-micron absorption band minimum can be used to distinguish between crystalline and amorphous forms of water ice and to constrain the formation temperature of the ice grains. VIMS data indicates that the water ice grains in the plume are dominantly crystalline which could indicate formation temperatures above 113 K [e.g. 1, 2]. However, there are slight (but observable) variations in the band minimum position and band shape that may hint at the possibility of varying abundance of amorphous ice particles within the plume. The modeling results further indicate that there are systematic shifts in band minimum position with temperature for any given form of ice but the crystalline and amorphous forms of water ice are still distinguishable at VIMS spectral resolution. Analysis of the eruptions from individual source fissures (tiger stripes) using selected VIMS observations reveal differences in the 3-micron band shape that may reflect differences in the size distributions of the water ice particles along individual fissures. Mie theory models suggest that big ice particles (>3 micron) may be an important component of the plume.[1] Kouchi, A., T. Yamamoto, T. Kozasa, T. Kuroda, and J. M. Greenberg (1994) A&A, 290, 1009-1018 [2] Mastrapa, R. M. E., W. M. Grundy, and M. S. Gudipati (2013) in M. S. Gudipati and J. Castillo-Rogez (Eds.), The Science of Solar System Ices, pp. 371.

  1. Temperature-Dependence of Air-Broadened Line Widths and Shifts in the nu3 Band of Ozone

    NASA Technical Reports Server (NTRS)

    Smith, Mary A. H.; Rinsland, Curtis P.; Devi, V. Malathy; Benner, D. Chris; Cox, A. M.

    2006-01-01

    The 9.6-micron bands of O3 are used by many remote-sensing experiments for retrievals of terrestrial atmospheric ozone concentration profiles. Line parameter errors can contribute significantly to the total errors in these retrievals, particularly for nadir-viewing. The McMath-Pierce Fourier transform spectrometer at the National Solar Observatory on Kitt Peak was used to record numerous high-resolution infrared absorption spectra of O3 broadened by various gases at temperatures between 160 and 300 K. Over 30 spectra were analyzed simultaneously using a multispectrum nonlinear least squares fitting technique to determine Lorentz air-broadening and pressure-induced shift coefficients along with their temperature dependences for selected transitions in the 3 fundamental band of (16)O3. We compare the present results with other measurements reported in the literature and with the ozone parameters on the 2000 and 2004 editions of the HITRAN database.

  2. Nitrogen-Pressure Shifts in the v3 Band of Methane Measured at Several Temperatures between 300 and 90 K

    NASA Technical Reports Server (NTRS)

    Tumuhimbise, Anthony T.; Hurtmans, Daniel; Mantz, Arlan W.; Mondelain, Didier

    2008-01-01

    Remote sensing of the Earth's atmosphere requires accurate knowledge of spectroscopic line parameters for the molecules investigated. Knowledge of the temperature dependence of these parameters is also essential if agreement, at the noise level, between calculated and experimental data is to be achieved. The authors recently published results of nitrogen broadening measurements in the v3 band of 12CH4 using the 5.37 m long absorption path length all-copper Herriott cell. The temperature dependent line parameters determined in the laboratory were applied to fit a portion of the atmospheric spectrum recorded with a balloon-borne remote sensing FTIR instrument, called the Limb Profile Monitor of the Atmosphere, and operating in absorption against the sun. Since the authors had a relatively complete series of data for the P(9) transition in the v3 band of 12CH4, the A2 1 as well as the F2 1, F1 1 and A1 1 lines recorded at different pressures and at four temperatures between 300 and 90 K, we reanalyzed the data to derive pressure shift information at different temperatures. The temperatures for which data were collected and analyzed are 298, 140 and 90K. The high precision pressure shift data obtained here over a large range of temperature demonstrate the ability of our experimental arrangement to address specific questions on a given spectral window like in the balloon experiment or in a satellite project, for example.

  3. Enhancement of broadband optical absorption in photovoltaic devices by band-edge effect of photonic crystals.

    PubMed

    Tanaka, Yoshinori; Kawamoto, Yosuke; Fujita, Masayuki; Noda, Susumu

    2013-08-26

    We numerically investigate broadband optical absorption enhancement in thin, 400-nm thick microcrystalline silicon (µc-Si) photovoltaic devices by photonic crystals (PCs). We realize absorption enhancement by coupling the light from the free space to the large area resonant modes at the photonic band-edge induced by the photonic crystals. We show that multiple photonic band-edge modes can be produced by higher order modes in the vertical direction of the Si photovoltaic layer, which can enhance the absorption on multiple wavelengths. Moreover, we reveal that the photonic superlattice structure can produce more photonic band-edge modes that lead to further optical absorption. The absorption average in wavelengths of 500-1000 nm weighted to the solar spectrum (AM 1.5) increases almost twice: from 33% without photonic crystal to 58% with a 4 × 4 period superlattice photonic crystal; our result outperforms the Lambertian textured structure.

  4. Concerted single-nanowire absorption and emission spectroscopy: Explaining the origin of the size-dependent Stokes shift in single cadmium selenide nanowires

    NASA Astrophysics Data System (ADS)

    Vietmeyer, F.; Chatterjee, R.; McDonald, M. P.; Kuno, M.

    2015-02-01

    Concerted single-nanowire (NW) absorption and emission spectroscopies have been used to measure Stokes shifts in the optical response of individual CdSe NWs. Obtained spectra are free of inhomogeneous broadening inherent to ensemble measurements. They reveal apparent size-dependent NW Stokes shifts with magnitudes on the order of 30 meV. Given that an effective mass model previously used to explain CdSe NW excited state progressions predicts no sizable emission Stokes shift, we have investigated modifications to the theory to rationalize their existence. This has entailed better accounting for the effects of crystal field splitting on NW band edge states. What results are important changes to the spectroscopic assignment of NW band edge transitions that arise from the crossing of hole levels. Furthermore, these modifications simultaneously predict Stokes shifts with size-dependent magnitudes up to 20 meV. However, quantitative agreement with experiment is only achieved by accounting for the role of exciton trap states. Consequently, we conclude that CdSe NW Stokes shifts contain both intrinsic and extrinsic contributions—the latter arising from band edge exciton potential energy fluctuations. At a broader level, these concerted absorption and emission measurements have provided detailed insight into the electronic structure of CdSe NWs, beyond what could be obtained using either single-particle absorption or emission spectroscopies alone.

  5. Ozone absorption cross section measurements in the Wulf bands

    NASA Technical Reports Server (NTRS)

    Anderson, Stuart M.; Hupalo, Peter; Mauersberger, Konrad

    1993-01-01

    A tandem dual-beam spectrometer has been developed to determine ozone absorption cross sections for 13 selected wavelengths between 750 and 975 nm at room temperature. The increasingly pronounced structure in this region may interfere with atmospheric trace gas transitions that are useful for remote sensing and complicate the measurement of aerosols. Ozone concentrations were determined by absorption at the common HeNe laser transition near 632.8 nm using the absolute cross section reported previously. The overall accuracy of these room temperature measurements is generally better than 2 percent. A synoptic near-IR spectrum scaled to these measurements is employed for comparison with results of previous studies.

  6. HAC: Band Gap, Photoluminescence, and Optical/Near-Infrared Absorption

    NASA Technical Reports Server (NTRS)

    Witt, Adolf N.; Ryutov, Dimitri; Furton, Douglas G.

    1996-01-01

    We report results of laboratory measurements which illustrate the wide range of physical properties found among hydrogenated amorphous carbon (HAC) solids. Within this range, HAC can match quantitatively the astronomical phenomena ascribed to carbonaceous coatings on interstellar grains. We find the optical band gap of HAC to be well correlated with other physical properties of HAC of astronomical interest, and conclude that interstellar HAC must be fairly hydrogen-rich with a band gap of E(sub g) is approx. greater than 2.0 eV.

  7. Wavelength Shifts of the 7.7 Micron Emission Band in Reflection Nebulae

    NASA Technical Reports Server (NTRS)

    Bregman, Jesse; Temi, Pasquale

    2003-01-01

    Using spatial-spectral data cubes of reflection nebulae obtained by ISOCAM, we have observed a shift in the central wavelength of the 7.7 micron band within several reflection nebulae. The band shifts progressively from approx. 7.8 microns near the edge of the nebulae to approx. 7.6 microns towards the center of the nebulae. The ratio of the 11.3/7.7 micron bands also changes with distance from the central star, first rising from the center towards the edge of the nebula, then falling at the largest distances from the star, consistent with the 11.3/7.7 micron band ratio being controlled by the PAH ionization state. The behavior of the 7.7 micron band center can be explained either by assuming that anions are the origin of the 7.85 micron band and cations the 7.65 micron band, or that the band center wavelength depends on the chemical nature of the PAHs.

  8. Temperature behavior of optical absorption bands in colored LiF crystals

    NASA Astrophysics Data System (ADS)

    Fastampa, Renato; Missori, Mauro; Braidotti, Maria Chiara; Conti, Claudio; Vincenti, Maria Aurora; Montereali, Rosa Maria

    We measured the optical absorption spectra of thermally treated, gamma irradiated LiF crystals, as a function of temperature in the range 16-300 K. The temperature dependence of intensity, peak position and bandwidth of F and M absorption bands were obtained.

  9. Atmospheric absorption of high frequency noise and application to fractional-octave bands

    NASA Technical Reports Server (NTRS)

    Shields, F. D.; Bass, H. E.

    1977-01-01

    Pure tone sound absorption coefficients were measured at 1/12 octave intervals from 4 to 100 KHz at 5.5K temperature intervals between 255.4 and 310.9 K and at 10 percent relative humidity increments between 0 percent and saturation in a large cylindrical tube (i.d., 25.4 cm; length, 4.8 m). Special solid-dielectric capacitance transducers, one to generate bursts of sound waves and one to terminate the sound path and detect the tone bursts, were constructed to fit inside the tube. The absorption was measured by varying the transmitter receiver separation from 1 to 4 m and observing the decay of multiple reflections or change in amplitude of the first received burst. The resulting absorption was compared with that from a proposed procedure for computing sound absorption in still air. Absorption of bands of noise was numerically computed by using the pure tone results. The results depended on spectrum shape, on filter type, and nonlinearly on propagation distance. For some of the cases considered, comparison with the extrapolation of ARP-866A showed a difference as large as a factor of 2. However, for many cases, the absorption for a finite band was nearly equal to the pure tone absorption at the center frequency of the band. A recommended prediction procedure is described for 1/3 octave band absorption coefficients.

  10. Nonequilibrium Green's function formulation of intersubband absorption for nonparabolic single-band effective mass Hamiltonian

    SciTech Connect

    Kolek, Andrzej

    2015-05-04

    The formulas are derived that enable calculations of intersubband absorption coefficient within nonequilibrium Green's function method applied to a single-band effective-mass Hamiltonian with the energy dependent effective mass. The derivation provides also the formulas for the virtual valence band components of the two-band Green's functions which can be used for more exact estimation of the density of states and electrons and more reliable treatment of electronic transport in unipolar n-type heterostructure semiconductor devices.

  11. Investigation of locally resonant absorption and factors affecting the absorption band of a phononic glass

    NASA Astrophysics Data System (ADS)

    Chen, Meng; Jiang, Heng; Feng, Yafei; Wang, Yuren

    2014-12-01

    We experimentally and theoretically investigated the mechanisms of acoustic absorption in phononic glass to optimize its properties. First, we experimentally studied its locally resonant absorption mechanism. From these results, we attributed its strong sound attenuation to its locally resonant units and its broadband absorption to its networked structure. These experiments also indicated that the porosity and thickness of the phononic glass must be tuned to achieve the best sound absorption at given frequencies. Then, using lumped-mass methods, we studied how the absorption bandgaps of the phononic glass were affected by various factors, including the porosity and the properties of the coating materials. These calculations gave optimal ranges for selecting the porosity, modulus of the coating material, and ratio of the compliant coating to the stiff matrix to achieve absorption bandgaps in the range of 6-30 kHz. This paper provides guidelines for designing phononic glasses with proper structures and component materials to work in specific frequency ranges.

  12. Three-dimensional assemblies built up by quantum dots in size-quantization regime: Band gap shifts due to size-distribution of cadmium selenide nanoparticles

    SciTech Connect

    Pejova, Biljana

    2013-11-15

    In the present study, it is predicted that the band gap energy of a three-dimensional quantum dot assembly exhibits a red shift when the dispersion of the crystal size distribution is enlarged, even at a fixed average value thereof. The effect is manifested when the size quantization regime in individual quantum dots constituting the assembly has been entered. Under the same conditions, the sub-band gap absorption tails are characterized with large Urbach energies, which could be one or two orders of magnitude larger than the value characteristic for the non-quantized case. - Graphical abstract: Band gap shifts due to size-distribution of nanoparticles in 3D assemblies built up by quantum dots in size-quantization regime. Display Omitted - Highlights: • Optical absorption of 3D QD assemblies in size-quantization regime is modeled. • Band gap energy of the QD solid depends on the size-distribution of the nanoparticles. • QD solid samples with same 〈R〉 exhibit band gap shift depending on size distribution. • QD size distribution leads to large Urbach energies.

  13. High resolution absorption cross-sections and band oscillator strengths of the Schumann-Runge absorption bands of isotopic oxygen, (O-18)2, at 79 K

    NASA Technical Reports Server (NTRS)

    Yoshino, K.; Freeman, D. E.; Esmond, J. R.; Friedman, R. S.; Parkinson, W. H.

    1988-01-01

    Cross-sections of (O-18)2 at 79 K have been obtained from photoabsorption measurements at various pressures throughout the wavelength region 177.8-197.8 nm with a 6.65 m photoelectric scanning spectrometer equipped with a 2400 lines/mm grating and having an instrumental width (FWHM) of 0.0013 nm. The measured absorption cross-sections of the Schumann-Runge bands (14,0) through (2,0) are, with the exception of the (12,0) band, independent of the instrumental width. The measured cross-sections are presented graphically here and are available at wavenumber intervals of about 0.1/cm as numerical compilations stored on magnetic tape. Band oscillator strengths of those bands have been determined by direct numerical integration of the measured absolute cross-sections and are in excellent agreement with these theoretically calculated values.

  14. Possible spinel absorption bands in S-asteroid visible reflectance spectra

    NASA Technical Reports Server (NTRS)

    Hiroi, T.; Vilas, F.; Sunshine, J. M.

    1994-01-01

    Minor absorption bands in the 0.55 to 0.7 micron wavelength range of reflectance spectra of 10 S asteroids have been found and compared with those of spinel-group minerals using the modified Gaussian model. Most of these S asteroids are consistently shown to have two absorption bands around 0.6 and 0.67 micron. Of the spinel-group minerals examined in this study, the 0.6 and 0.67 micron bands are most consistent with those seen in chromite. Recently, the existence of spinels has also been detected from the absorption-band features around 1 and 2 micron of two S-asteroid reflectance spectra, and chromite has been found in a primitive achondrite as its major phase. These new findings suggest a possible common existence of spinel-group minerals in the solar system.

  15. Annealing-induced optical and sub-band-gap absorption parameters of Sn-doped CdSe thin films

    NASA Astrophysics Data System (ADS)

    Kaur, Jagdish; Tripathi, S. K.

    2016-01-01

    Thin films of Sn-doped CdSe were prepared by thermal evaporation onto glass substrates in an argon gas atmosphere and annealed at different temperatures. Structural evaluation of the films was carried out using X-ray diffraction and their stoichiometry studied by energy-dispersive X-ray analysis. The films exhibit a preferred orientation along the hexagonal direction of CdSe. The optical transmittance of the films shows a red shift of the absorption edge with annealing. The fundamental absorption edge corresponds to a direct energy gap with a temperature coefficient of 3.34 × 10-3 eV K-1. The refractive index, optical conductivity and real and imaginary parts of the dielectric constants were found to increase after annealing. The sub-band gap absorption coefficient was evaluated using the constant photocurrent method. It varies exponentially with photon energy. The Urbach energy, the density of defect states, and the steepness of the density of localized states were evaluated from the sub-band-gap absorption.

  16. Hot Bands in Overtone Absorption Transitions: High Temperature Spectra

    DTIC Science & Technology

    1993-03-17

    the overtone transition. ൖ WWIŝST3" 3 24 002 15.NUMBER ,OF ,,A Overtone Spectroscopy, Hot Bands 16. PRKI CODE 17. SECURITY CLASSIFICATION 18...Rev 2-89) aWVPOO AfeD $10 139-18’q wAPI .’ N o, lgi OFFICE OF NAVAL RESEARCH GRANT or CONTRACT N00014-88-K-4130 R&T Code 4131063 Technical Report No...Unannounced fJ Justification ................ Prepared for Publication By ................ Di•.t. ibution I in Availability Codes Avail and /or Dist Special

  17. Three-pulse femtosecond spectroscopy of PbSe nanocrystals: 1S bleach nonlinearity and sub-band-edge excited-state absorption assignment.

    PubMed

    Gdor, Itay; Shapiro, Arthur; Yang, Chunfan; Yanover, Diana; Lifshitz, Efrat; Ruhman, Sanford

    2015-02-24

    Above band-edge photoexcitation of PbSe nanocrystals induces strong below band gap absorption as well as a multiphased buildup of bleaching in the 1Se1Sh transition. The amplitudes and kinetics of these features deviate from expectations based on biexciton shifts and state filling, which are the mechanisms usually evoked to explain them. To clarify these discrepancies, the same transitions are investigated here by double-pump-probe spectroscopy. Re-exciting in the below band gap induced absorption characteristic of hot excitons is shown to produce additional excitons with high probability. In addition, pump-probe experiments on a sample saturated with single relaxed excitons prove that the resulting 1Se1Sh bleach is not linear with the number of excitons per nanocrystal. This finding holds for two samples differing significantly in size, demonstrating its generality. Analysis of the results suggests that below band edge induced absorption in hot exciton states is due to excited-state absorption and not to shifted absorption of cold carriers and that 1Se1Sh bleach signals are not an accurate counter of sample excitons when their distribution includes multiexciton states.

  18. Fe-substituted indium thiospinels: New intermediate band semiconductors with better absorption of solar energy

    NASA Astrophysics Data System (ADS)

    Chen, Ping; Chen, Haijie; Qin, Mingsheng; Yang, Chongyin; Zhao, Wei; Liu, Yufeng; Zhang, Wenqing; Huang, Fuqiang

    2013-06-01

    The indium thiospinels In2S3 and MgIn2S4 are promising host for the intermediated band (IB) photovoltaic materials due to their ideal band gap value. Here, the optical properties and electronic structure of Fe-doped In2S3 and MgIn2S4 have been investigated. All the Fe-substituted semiconductors exhibit two additional absorption bands at about 0.7 and 1.25 eV, respectively. The results of first-principles calculations revealed that the Fe substituted at the octahedral In site would introduce a partially filled IB into the band gap. Thanks to the formation of IB, the Fe-substituted semiconductors have the ability to absorb the photons with energies below the band gap. With the wide-spectrum absorption of solar energy, these materials possess potential applications in photovoltaic domain.

  19. The effective air absorption coefficient for predicting reverberation time in full octave bands.

    PubMed

    Wenmaekers, R H C; Hak, C C J M; Hornikx, M C J

    2014-12-01

    A substantial amount of research has been devoted to producing a calculation model for air absorption for pure tones. However, most statistical and geometrical room acoustic prediction models calculate the reverberation time in full octave bands in accordance with ISO 3382-1 (International Organization for Standardization, 2009). So far, the available methods that allow calculation of air absorption in octave bands have not been investigated for room acoustic applications. In this paper, the effect of air absorption on octave band reverberation time calculations is investigated based on calculations. It is found that the approximation method, as described in the standard ANSI S1.26 (American National Standards Institute, 1995), fails to estimate accurate decay curves for full octave bands. In this paper, a method is used to calculate the energy decay curve in rooms based on a summation of pure tones within the band. From this decay curve, which is found to be slightly concave upwards, T20 and T30 can be determined. For different conditions, an effective intensity attenuation coefficient mB ;eff for the full octave bands has been calculated. This mB ;eff can be used for reverberation time calculations, if results are to be compared with T20 or T30 measurements. Also, guidelines are given for the air absorption correction of decay curves, measured in a scale model.

  20. N2-shift coefficients in the ν3 band of 12CH4 at room temperature

    NASA Astrophysics Data System (ADS)

    Vispoel, Bastien; Dhyne, Miguël; Populaire, Jean-Claude; Blanquet, Ghislain; Lepère, Muriel

    2014-04-01

    Using a dual beam diode-laser spectrometer, we have studied with accuracy the N2-shift coefficients in the P-branch of the ν3 band of methane. The experiments were performed at room temperature for 16 lines in the spectral range 2906-2948 cm-1 with J values between 7 and 11. Each line was recorded at four different nitrogen pressures ranging from 17 to 302 mbar. The collisional shifts were obtained by fitting to the experimental lineshape a Rautian-Sobel'Man profile that takes into account the Dicke narrowing. The shift coefficients were determined using a procedure where a non perturbed line of pure CH4 was simultaneously recorded with N2-shifted transitions. Finally, we give a comparison with previous published results.

  1. Enhancing absorption properties of composite nanosphere and nanowire arrays by localized surface plasmon resonance shift

    NASA Astrophysics Data System (ADS)

    Tang, Xiaobing; Zhou, Leping; Du, Xiaoze; Yang, Yongping

    Nanoparticles with nonmetallic core and metallic shell can improve the spectral solar absorption efficiency for traditional working fluids, due to the localized surface plasmon resonance (LSPR) effect exists at the surfaces of these core-shell composite nanoparticles. In this work, the effect of geometry and material, and hence the LSPR effect, on the optical absorption properties of core-shell nanostructures was numerically demonstrated by the finite difference time domain method. The nanostructures were formed by varying the inner and outer radii of the composite nanospheres and nanowires and by changing the particle spacing for their arrays. The result indicates that varying the inner radius itself can tune the absorption efficiency factors of the nanostructures monotonously, while an optimal outer radius may exist for maximizing the absorption efficiency factors. It also shows that varying the inner radius itself can widen the absorption spectrums for the arrays, but the absorptance tends to increase with decreasing inner radius or particle spacing. Meanwhile, the second absorption peaks may be observed for nanowires or nanosphere/nanowire arrays, which can be tuned by the resonance shifts induced by the change of either inner or outer radius and hence the LSPR effect. The coupled LSPR effect under studied can be efficiently utilized for tuning the optical absorption properties of nanoparticles used in many applications including photothermal conversion, and perspective also exists for many other applications including surface-enhanced Raman spectroscopy (SERS) enhancement.

  2. Isotope Shifts in the TiO B- X (1-0) Band

    NASA Astrophysics Data System (ADS)

    Amiot, C.; Luc, P.; Vetter, R.

    2002-08-01

    The absorption spectrum of the B3Π- X3Δ (1-0) band of the TiO molecule has been studied at sub-Doppler resolution by crossing an effusive beam of TiO with a cw tunable laser beam and by collecting the induced fluorescence light. The five bands involving the 46Ti, 47Ti, 48Ti, 49Ti, and 50Ti isotopic species have been observed and interpreted. A simultaneous analysis of the five isotopic data leads to accurate molecular constants and energy levels for the B3Π electronic state.

  3. Measurement of the depolarization ratio of Rayleigh scattering at absorption bands

    NASA Astrophysics Data System (ADS)

    Anglister, J.; Steinberg, I. Z.

    1981-01-01

    Measurements of the depolarization ratio ρv of light scattered by the pigments lycopene and β-carotene at the red part of their absorption bands yielded values which are very close to the theoretical value 1/3 of a fully anisotropic molecular polarizability, i.e., that due to an electric dipole moment. Measurements of ρv at the blue edge of the visible absorption band of pinacyanol chloride yielded a value of 0.75 at 472.2 nm, which is the maximum value that a depolarization ratio can assume, and is attained if the average molecular polarizability is zero. This is possible only if the diagonalized polarizability tensor has at least one negative element to counterbalance the positive ones. A negative refractive index at the blue edge of the absorption band is thus experimentally demonstrated.

  4. The origin of the unusual Qy red shift in LH1-RC complexes from purple bacteria Thermochromatium tepidum as revealed by Stark absorption spectroscopy.

    PubMed

    Ma, Fei; Yu, Long-Jiang; Wang-Otomo, Zheng-Yu; van Grondelle, Rienk

    2015-12-01

    Native LH1-RC of photosynthetic purple bacteria Thermochromatium (Tch.) tepidum, B915, has an ultra-red BChl a Qy absorption. Two blue-shifted complexes obtained by chemical modification, B893 and B882, have increasing full widths at half maximum (FWHM) and decreasing transition dipole oscillator strength. 77K Stark absorption spectroscopy studies were employed for the three complexes, trying to understand the origin of the 915 nm absorption. We found that Tr(∆α) and |∆μ| of both Qy and carotenoid (Car) bands are larger than for other purple bacterial LH complexes reported previously. Moreover, the red shifts of the Qy bands are associated with (1) increasing Tr(∆α) and |∆μ| of the Qy band, (2) the red shift of the Car Stark signal and (3) the increasing |∆μ| of the Car band. Based on the results and the crystal structure, a combined effect of exciton-charge transfer (CT) states mixing, and inhomogeneous narrowing of the BChl a site energy is proposed to be the origin of the 915 nm absorption. CT-exciton state mixing has long been found to be the origin of strong Stark signal in LH1 and special pair, and the more extent of the mixing in Tch. tepidum LH1 is mainly the consequence of the shorter BChl-BChl distances. The less flexible protein structure results in a smaller site energy disorder (inhomogeneous narrowing), which was demonstrated to be able to influence |∆μ| and absorption.

  5. Differential-phase-shift quantum key distribution using heralded narrow-band single photons.

    PubMed

    Liu, Chang; Zhang, Shanchao; Zhao, Luwei; Chen, Peng; Fung, C-H F; Chau, H F; Loy, M M T; Du, Shengwang

    2013-04-22

    We demonstrate the first proof of principle differential phase shift (DPS) quantum key distribution (QKD) using narrow-band heralded single photons with amplitude-phase modulations. In the 3-pulse case, we obtain a quantum bit error rate (QBER) as low as 3.06% which meets the unconditional security requirement. As we increase the pulse number up to 15, the key creation efficiency approaches 93.4%, but with a cost of increasing the QBER. Our result suggests that narrow-band single photons maybe a promising source for the DPS-QKD protocol.

  6. AKARI observations of ice absorption bands towards edge-on YSOs

    NASA Astrophysics Data System (ADS)

    Aikawa, Y.; Kamuro, D.; Sakon, I.; Itoh, Y.; Noble, J. A.; Pontoppidan, K. M., Fraser, H. J.; Terada, H.; Tamura, M.; Kandori, R.; Kawamura, A.; Ueno, M.

    2011-05-01

    Circumstellar disks and envelopes of low-mass YSOs contain significant amounts of ice. Such icy material will evolve to volatile components of planetary systems, such as comets in our solar system. In order to investigate the composition and evolution of circumstellar ice around low-mass YSOs, we have observed ice absorption bands towards eight YSOs ranging from class 0 to class II, among which seven are associated with edge-on disks. Slit-less spectroscopic observations are performed using the grism mode of Infrared Camera (IRC) on board AKARI, which enables us to obtain full NIR spectra from 2.5 μm to 5 μm, including the CO_2 band and the blue wing of the H_2O band, which are not accessible from the ground. We developed procedures to reduce the spectra of targets with nebulosity. The spectra are fitted with polynomial baselines to derive the absorption spectra. Then we fit the molecular absorption bands with the laboratory spectra from the database, considering the instrumental line profile and the spectral resolution of the dispersion element. Towards the Class 0-I sources, absorption bands of H_2O, CO_2, CO and XCN (OCN^-) are clearly detected. Weak features of 13CO_2, HDO, the C-H band, and gaseous CO are detected as well. OCS ice absorption is tentatively detected towards IRC-L1041-2. The detected features would mostly originate in the cold envelope, while CO gas and OCN^- could originate in the region close to the protostar. Towards class II stars, H_2O ice band is detected. We also detected H_2O ice, CO_2 ice and tentative CO gas features of the foreground component of class II stars.

  7. Influence of Reduced Graphene Oxide on Effective Absorption Bandwidth Shift of Hybrid Absorbers

    PubMed Central

    Ameer, Shahid; Gul, Iftikhar Hussain

    2016-01-01

    The magnetic nanoparticle composite NiFe2O4 has traditionally been studied for high-frequency microwave absorption with marginal performance towards low-frequency radar bands (particularly L and S bands). Here, NiFe2O4 nanoparticles and nanohybrids using large-diameter graphene oxide (GO) sheets are prepared via solvothermal synthesis for low-frequency wide bandwidth shielding (L and S radar bands). The synthesized materials were characterized using XRD, SEM, FTIR and microwave magneto dielectric spectroscopy. The dimension of these solvothermally synthesized pristine particles and hybrids lies within 30–58 nm. Microwave magneto-dielectric spectroscopy was performed in the low-frequency region in the 1 MHz-3 GHz spectrum. The as-synthesized pristine nanoparticles and hybrids were found to be highly absorbing for microwaves throughout the L and S radar bands (< −10 dB from 1 MHz to 3 GHz). This excellent microwave absorbing property induced by graphene sheet coupling shows application of these materials with absorption bandwidth which is tailored such that these could be used for low frequency. Previously, these were used for high frequency absorptions (typically > 4 GHz) with limited selective bandwidth. PMID:27270944

  8. Full band structure calculation of two-photon indirect absorption in bulk silicon

    SciTech Connect

    Cheng, J. L.; Rioux, J.; Sipe, J. E.

    2011-03-28

    Degenerate two-photon indirect absorption in silicon is an important limiting effect on the use of silicon structures for all-optical information processing at telecommunication wavelengths. We perform a full band structure calculation to investigate two-photon indirect absorption in bulk silicon, using a pseudopotential description of the energy bands and an adiabatic bond charge model to describe phonon dispersion and polarization. Our results agree well with some recent experimental results. The transverse acoustic/optical phonon-assisted processes dominate.

  9. Parallel LC circuit model for multi-band absorption and preliminary design of radiative cooling.

    PubMed

    Feng, Rui; Qiu, Jun; Liu, Linhua; Ding, Weiqiang; Chen, Lixue

    2014-12-15

    We perform a comprehensive analysis of multi-band absorption by exciting magnetic polaritons in the infrared region. According to the independent properties of the magnetic polaritons, we propose a parallel inductance and capacitance(PLC) circuit model to explain and predict the multi-band resonant absorption peaks, which is fully validated by using the multi-sized structure with identical dielectric spacing layer and the multilayer structure with the same strip width. More importantly, we present the application of the PLC circuit model to preliminarily design a radiative cooling structure realized by merging several close peaks together. This omnidirectional and polarization insensitive structure is a good candidate for radiative cooling application.

  10. Emergence of Very Broad Infrared Absorption Band By Hyperdoping of Silicon with Chalcogens

    DTIC Science & Technology

    2013-06-03

    measured by Hall effect in Ref. 9 (crosses) as functions of implanted sulfur dose. (c) Calculated reflectivity by Kramers- Kronig transformation of the...MIR band is small enough, this assumption is reasonable according to the Kramers- Kronig relationship between optical absorption and reflectivity...calculated by a Kramers- Kronig transformation of the absorption spectrum shown in Fig. 1(a) and the results are shown in Fig. 1(c). However, the a value

  11. A band model for melanin deducted from optical absorption and photoconductivity experiments.

    PubMed

    Crippa, P R; Cristofoletti, V; Romeo, N

    1978-01-03

    Natural and synthetic melanins have been studied by optical absorption and photoconductivity measurements in the range 200--700 nm. Both optical absorption and photoconductivity increase in the ultraviolet region, and a negative photoconductivity was observed with a maximum near 500 nm. This behaviour has been interpreted by the band model of amorphous materials and an "optical gap" of 3.4 eV has been determined.

  12. Band-gaps in long Josephson junctions with periodic phase-shifts

    NASA Astrophysics Data System (ADS)

    Ahmad, Saeed; Susanto, Hadi; Wattis, Jonathan A. D.

    2017-04-01

    We investigate analytically and numerically a long Josephson junction on an infinite domain, having arbitrary periodic phase shift of κ, that is, the so-called 0-κ long Josephson junction. The system is described by a one-dimensional sine-Gordon equation and has relatively recently been proposed as artificial atom lattices. We discuss the existence of periodic solutions of the system and investigate their stability both in the absence and presence of an applied bias current. We find critical values of the phase-discontinuity and the applied bias current beyond which static periodic solutions cease to exist. Due to the periodic discontinuity in the phase, the system admits regions of allowed and forbidden bands. We perturbatively investigate the Arnold tongues that separate the region of allowed and forbidden bands, and discuss the effect of an applied bias current on the band-gap structure. We present numerical simulations to support our analytical results.

  13. High sensitivity ultra-broad-band absorption spectroscopy of inductively coupled chlorine plasma

    NASA Astrophysics Data System (ADS)

    Marinov, Daniil; Foucher, Mickaël; Campbell, Ewen; Brouard, Mark; Chabert, Pascal; Booth, Jean-Paul

    2016-06-01

    We propose a method to measure the densities of vibrationally excited Cl2(v) molecules in levels up to v  =  3 in pure chlorine inductively coupled plasmas (ICPs). The absorption continuum of Cl2 in the 250-450 nm spectral range is deconvoluted into the individual components originating from the different vibrational levels of the ground state, using a set of ab initio absorption cross sections. It is shown that gas heating at constant pressure is the major depletion mechanism of the Cl2 feedstock in the plasma. In these line-integrated absorption measurements, the absorption by the hot (and therefore rarefied) Cl2 gas in the reactor centre is masked by the cooler (and therefore denser) Cl2 near the walls. These radial gradients in temperature and density make it difficult to assess the degree of vibrational excitation in the centre of the reactor. The observed line-averaged vibrational distributions, when analyzed taking into account the radial temperature gradient, suggest that vibrational and translational degrees of freedom in the plasma are close to local equilibrium. This can be explained by efficient vibrational-translational (VT) relaxation between Cl2 and Cl atoms. Besides the Cl2(v) absorption band, a weak continuum absorption is observed at shorter wavelengths, and is attributed to photodetachment of Cl- negative ions. Thus, line-integrated densities of negative ions in chlorine plasmas can be directly measured using broad-band absorption spectroscopy.

  14. Diversity in the Visible-NIR Absorption Band Characteristics of Lunar and Asteroidal Plagioclase

    NASA Technical Reports Server (NTRS)

    Hiroi, T.; Kaiden, H.; Misawa, K.; Kojima, H.; Uemoto, K.; Ohtake, M.; Arai, T.; Sasaki, S.; Takeda, H.; Nyquist, L. E.; Shih, C.-Y.

    2012-01-01

    Studying the visible and near-infrared (VNIR) spectral properties of plagioclase has been challenging because of the difficulty in obtaining good plagioclase separates from pristine planetary materials such as meteorites and returned lunar samples. After an early study indicated that the 1.25 m band position of plagioclase spectrum might be correlated with the molar percentage of anorthite (An#) [1], there have been few studies which dealt with the band center behavior. In this study, the VNIR absorption band parameters of plagioclase samples have been derived using the modified Gaussian model (MGM) [2] following a pioneering study by [3].

  15. Motion estimation using low-band-shift method for wavelet-based moving-picture coding.

    PubMed

    Park, H W; Kim, H S

    2000-01-01

    The discrete wavelet transform (DWT) has several advantages of multiresolution analysis and subband decomposition, which has been successfully used in image processing. However, the shift-variant property is intrinsic due to the decimation process of the wavelet transform, and it makes the wavelet-domain motion estimation and compensation inefficient. To overcome the shift-variant property, a low-band-shift method is proposed and a motion estimation and compensation method in the wavelet-domain is presented. The proposed method has a superior performance to the conventional motion estimation methods in terms of the mean absolute difference (MAD) as well as the subjective quality. The proposed method can be a model method for the motion estimation in wavelet-domain just like the full-search block matching in the spatial domain.

  16. Shifting visual attention away from fixation is specifically associated with alpha band activity over ipsilateral parietal regions.

    PubMed

    Cosmelli, Diego; López, Vladimir; Lachaux, Jean-Philippe; López-Calderón, Javier; Renault, Bernard; Martinerie, Jacques; Aboitiz, Francisco

    2011-03-01

    We studied brain activity during the displacement of attention in a modified visuo-spatial orienting paradigm. Using a behaviorally relevant no-shift condition as a control, we asked whether ipsi- or contralateral parietal alpha band activity is specifically related to covert shifts of attention. Cue-related event-related potentials revealed an attention directing anterior negativity (ADAN) contralateral to the shift of attention and P3 and contingent negative variation waveforms that were enhanced in both shift conditions as compared to the no-shift task. When attention was shifted away from fixation, alpha band activity over parietal regions ipsilateral to the attended hemifield was enhanced relative to the control condition, albeit with different dynamics in the upper and lower alpha subbands. Contralateral-to-attended parietal alpha band activity was indistinguishable from the no-shift task.

  17. Infrared band absorptance correlations and applications to nongray radiation. [mathematical models of absorption spectra for nongray atmospheres in order to study air pollution

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.; Manian, S. V. S.

    1976-01-01

    Various mathematical models for infrared radiation absorption spectra for atmospheric gases are reviewed, and continuous correlations for the total absorptance of a wide band are presented. Different band absorptance correlations were employed in two physically realistic problems (radiative transfer in gases with internal heat source, and heat transfer in laminar flow of absorbing-emitting gases between parallel plates) to study their influence on final radiative transfer results. This information will be applied to the study of atmospheric pollutants by infrared radiation measurement.

  18. Laboratory Measurements of the 940, 1130, and 1370 nm Water Vapor Absorption Band Profiles

    NASA Technical Reports Server (NTRS)

    Giver, Lawrence P.; Gore, Warren J.; Pilewskie, P.; Freedman, R. S.; Chackerian, C., Jr.; Varanasi, P.

    2001-01-01

    We have used the solar spectral flux radiometer (SSFR) flight instrument with the Ames 25 meter base-path White cell to obtain about 20 moderate resolution (8 nm) pure water vapor spectra from 650 to 1650 nm, with absorbing paths from 806 to 1506 meters and pressures up to 14 torr. We also obtained a set at 806 meters with several different air-broadening pressures. Model simulations were made for the 940, 1130, and 1370 nm absorption bands for some of these laboratory conditions using the Rothman, et al HITRAN-2000 linelist. This new compilation of HITRAN includes new intensity measurements for the 940 nm region. We compared simulations for our spectra of this band using HITRAN-2000 with simulations using the prior HITRAN-1996. The simulations of the 1130 nm band show about 10% less absorption than we measured. There is some evidence that the total intensity of this band is about 38% stronger than the sum of the HITRAN line intensities in this region. In our laboratory conditions the absorption depends approximately on the square root of the intensity. Thus, our measurements agree that the band is stronger than tabulated in HITRAN, but by about 20%, substantially less than the published value. Significant differences have been shown between Doppler-limited resolution spectra of the 1370 nm band obtained at the Pacific Northwest National Laboratory and HITRAN simulations. Additional new intensity measurements in this region are continuing to be made. We expect the simulations of our SSFR lab data of this band will show the relative importance of improving the HITRAN line intensities of this band for atmospheric measurements.

  19. Isothermal annealing of a 620 nm optical absorption band in Brazilian topaz crystals

    NASA Astrophysics Data System (ADS)

    Isotani, Sadao; Matsuoka, Masao; Albuquerque, Antonio Roberto Pereira Leite

    2013-04-01

    Isothermal decay behaviors, observed at 515, 523, 562, and 693 K, for an optical absorption band at 620 nm in gamma-irradiated Brazilian blue topaz were analyzed using a kinetic model consisting of O- bound small polarons adjacent to recombination centers (electron traps). The kinetic equations obtained on the basis of this model were solved using the method of Runge-Kutta and the fit parameters describing these defects were determined with a grid optimization method. Two activation energies of 0.52±0.08 and 0.88±0.13 eV, corresponding to two different structural configurations of the O- polarons, explained well the isothermal decay curves using first-order kinetics expected from the kinetic model. On the other hand, thermoluminescence (TL) emission spectra measured at various temperatures showed a single band at 400 nm in the temperature range of 373-553 K in which the 620 nm optical absorption band decreased in intensity. Monochromatic TL glow curve data at 400 nm extracted from the TL emission spectra observed were found to be explained reasonably by using the knowledge obtained from the isothermal decay analysis. This suggests that two different structural configurations of O- polarons are responsible for the 620 nm optical absorption band and that the thermal annealing of the polarons causes the 400 nm TL emission band.

  20. High resolution absorption cross-sections and band oscillator strengths of the Schumann-Runge absorption bands of isotopic oxygen, (0-16)(0-18), at 79 K

    NASA Technical Reports Server (NTRS)

    Yoshino, K.; Freeman, D. E.; Esmond, J. R.; Friedman, R. S.; Parkinson, W. H.

    1989-01-01

    Cross-sections of (0-16)(0-18) at 79 K have been obtained from photoabsorption measurements on mixtures of (0-16)2, (0-18)2, and (0-16)(0-18) at various pressures throughout the wavelength region 180.5-195.3 nm with a 6.65 m photoelectric scanning spectrometer equipped with a 2400 lines/mm grating and having an instrumental width (FWHM) of 0.0013 nm. The measured absorption cross-sections of the (0-16)(0-18) Schumann-Runge bands (11.0)-(3.0) are independent of the instrumental width. The measured cross-sections are presented graphically.

  1. Effect of Sn on the optical band gap determined using absorption spectrum fitting method

    SciTech Connect

    Heera, Pawan; Kumar, Anup; Sharma, Raman

    2015-05-15

    We report the preparation and the optical studies on tellurium rich glasses thin films. The thin films of Se{sub 30}Te{sub 70-x} Sn{sub x} system for x= 0, 1.5, 2.5 and 4.5 glassy alloys prepared by melt quenching technique are deposited on the glass substrate using vacuum thermal evaporation technique. The analysis of absorption spectra in the spectral range 400nm–4000 nm at room temperature obtained from UV-VIS-NIR spectrophotometer [Perkin Elmer Lamda-750] helps us in the optical characterization of the thin films under study. The absorption spectrum fitting method is applied by using the Tauc’s model for estimating the optical band gap and the width of the band tail of the thin films. The optical band gap is calculated and is found to decrease with the Sn content.

  2. Dual-Band Perfect Absorption by Breaking the Symmetry of Metamaterial Structure

    NASA Astrophysics Data System (ADS)

    Hai, Le Dinh; Qui, Vu Dinh; Dinh, Tiep Hong; Hai, Pham; Giang, Trinh Thị; Cuong, Tran Manh; Tung, Bui Son; Lam, Vu Dinh

    2017-02-01

    Since the first proposal of Landy et al. (Phys Rev Lett 100:207402, 2008), the metamaterial perfect absorber (MPA) has rapidly become one of the most crucial research trends. Recently, dual-band, multi-band and broadband MPA have been highly desirable in electronic applications. In this paper, we demonstrate and evaluate a MPA structure which can generate dual-band absorption operating at the microwave frequency by breaking the symmetry of structure. There is an agreement between simulation and experimental results. The results can be explained by using the equivalent LC circuit and the electric field distribution of this structure. In addition, various structures with different symmetry configurations were studied to gain greater insight into the absorption.

  3. Jet-cooled infrared absorption spectrum of the v4 fundamental band of HCOOH and HCOOD

    NASA Astrophysics Data System (ADS)

    Luo, Wei; Zhang, Yulan; Li, Wenguang; Duan, Chuanxi

    2017-04-01

    The jet-cooled absorption spectrum of the v4 fundamental band of normal formic acid (HCOOH) and deuterated formic acid (HCOOD) was recorded in the frequency range of 1370-1392 cm-1 with distributed-feedback quantum cascade lasers (DFB-QCLs) as the tunable infrared radiations. A segmented rapid-scan data acquisition scheme was developed for pulsed supersonic jet infrared laser absorption spectroscopy based on DFB-QCLs with a moderate vacuum pumping capacity. The unperturbed band-origin and rotational constants in the excited vibrational state were determined for both HCOOH and HCOOD. The unperturbed band-origin locates at 1379.05447(11) cm-1 for HCOOH, and 1366.48430(39) cm-1 for HCOOD, respectively.

  4. Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques

    NASA Astrophysics Data System (ADS)

    Limaye, Mukta V.; Chen, S. C.; Lee, C. Y.; Chen, L. Y.; Singh, Shashi B.; Shao, Y. C.; Wang, Y. F.; Hsieh, S. H.; Hsueh, H. C.; Chiou, J. W.; Chen, C. H.; Jang, L. Y.; Cheng, C. L.; Pong, W. F.; Hu, Y. F.

    2015-06-01

    The correlation between sub-band gap absorption and the chemical states and electronic and atomic structures of S-hyperdoped Si have been extensively studied, using synchrotron-based x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge spectroscopy (XANES), extended x-ray absorption fine structure (EXAFS), valence-band photoemission spectroscopy (VB-PES) and first-principles calculation. S 2p XPS spectra reveal that the S-hyperdoped Si with the greatest (~87%) sub-band gap absorption contains the highest concentration of S2- (monosulfide) species. Annealing S-hyperdoped Si reduces the sub-band gap absorptance and the concentration of S2- species, but significantly increases the concentration of larger S clusters [polysulfides (Sn2-, n > 2)]. The Si K-edge XANES spectra show that S hyperdoping in Si increases (decreased) the occupied (unoccupied) electronic density of states at/above the conduction-band-minimum. VB-PES spectra evidently reveal that the S-dopants not only form an impurity band deep within the band gap, giving rise to the sub-band gap absorption, but also cause the insulator-to-metal transition in S-hyperdoped Si samples. Based on the experimental results and the calculations by density functional theory, the chemical state of the S species and the formation of the S-dopant states in the band gap of Si are critical in determining the sub-band gap absorptance of hyperdoped Si samples.

  5. Effect of thickness on microwave absorptive behavior of La-Na doped Co-Zr barium hexaferrites in 18.0-26.5 GHz band

    NASA Astrophysics Data System (ADS)

    Arora, Amit; Narang, Sukhleen Bindra; Pubby, Kunal

    2017-02-01

    In this research, the microwave properties of Lanthanum-Sodium doped Cobalt-Zirconium barium hexaferrites, intended as microwave absorbers, are analyzed on Vector Network Analyzer in K-band. The results indicate that the doping has resulted in lowering of real permittivity and enhancement of dielectric losses. Real permeability has shown increase while magnetic losses have shown decrease in value with doping. All these four properties have shown very small variation with frequency in the scanned frequency range which indicates the relaxation type of behavior. Microwave absorption characteristics of these compositions are analyzed with change in sample thickness. The results demonstrate that the matching frequency of the microwave absorber shifts towards lower side of frequency band with increase in thickness. The complete analysis of the prepared microwave absorbers shows a striking achievement with very low reflection loss and wide absorption bandwidth for all the six compositions in 18-26.5 GHz frequency band.

  6. AKARI observations of ice absorption bands towards edge-on young stellar objects

    NASA Astrophysics Data System (ADS)

    Aikawa, Y.; Kamuro, D.; Sakon, I.; Itoh, Y.; Terada, H.; Noble, J. A.; Pontoppidan, K. M.; Fraser, H. J.; Tamura, M.; Kandori, R.; Kawamura, A.; Ueno, M.

    2012-02-01

    Context. Circumstellar disks and envelopes of low-mass young stellar objects (YSOs) contain significant amounts of ice. Such icy material will evolve to become volatile components of planetary systems, such as comets in our solar system. Aims: To investigate the composition and evolution of circumstellar ice around low-mass young stellar objects (YSOs), we observed ice absorption bands in the near infrared (NIR) towards eight YSOs ranging from class 0 to class II, among which seven are associated with edge-on disks. Methods: We performed slit-less spectroscopic observations using the grism mode of the InfraRed Camera (IRC) on board AKARI, which enables us to obtain full NIR spectra from 2.5 μm to 5 μm, including the CO2 band and the blue wing of the H2O band, which are inaccessible from the ground. We developed procedures to carefully process the spectra of targets with nebulosity. The spectra were fitted with polynomial baselines to derive the absorption spectra. The molecular absorption bands were then fitted with the laboratory database of ice absorption bands, considering the instrumental line profile and the spectral resolution of the grism dispersion element. Results: Towards the class 0-I sources (L1527, IRC-L1041-2, and IRAS 04302), absorption bands of H2O, CO2, CO, and XCN are clearly detected. Column density ratios of CO2 ice and CO ice relative to H2O ice are 21-28% and 13-46%, respectively. If XCN is OCN-, its column density is as high as 2-6% relative to H2O ice. The HDO ice feature at 4.1 μm is tentatively detected towards the class 0-I sources and HV Tau. Non-detections of the CH-stretching mode features around 3.5 μm provide upper limits to the CH3OH abundance of 26% (L1527) and 42% (IRAS 04302) relative to H2O. We tentatively detect OCS ice absorption towards IRC-L1041-2. Towards class 0-I sources, the detected features should mostly originate in the cold envelope, while CO gas and OCN- could originate in the region close to the protostar

  7. Spectral radiative transfer for the 4.0- to 5.0-micron bands of CO and CO2 with mild vibrational relaxation and Doppler shift

    NASA Astrophysics Data System (ADS)

    Limbaugh, C. C.; Hiers, R. S., III; Phillips, W. J.

    1990-06-01

    This paper presents representative results for line-by-line spectral calculations of the 4.3-micron band of CO2 and the 5.0-micron band of CO in a nozzle-constrained, vibrationally relaxing combustion flow. The effects of property gradients are included, with special emphasis on the effects of the frequency shift of the radiation and absorption due to the component of velocity along the line of sight. Broadband spectra resulting from the convolution of the line-by-line results with a broadband filter are examined. It is shown that the effect of the Doppler shift is to broaden the individual spectral features with an attendant increase in the emitted radiation. Spectral detail is lost because of the broadening, and the greatest effect on the magnitude of the emission is for those lines which are optically thick.

  8. Near-infrared studies of glucose and sucrose in aqueous solutions: water displacement effect and red shift in water absorption from water-solute interaction.

    PubMed

    Jung, Youngeui; Hwang, Jungseek

    2013-02-01

    We used near infrared spectroscopy to obtain concentration dependent glucose absorption spectra in aqueous solutions in the near-infrared range (3800-7500 cm(-1)). Here we introduce a new method to obtain reliable glucose absorption bands from aqueous glucose solutions without measuring the water displacement coefficients of glucose separately. Additionally, we were able to extract the water displacement coefficients of glucose, and this may offer a new general method using spectroscopy techniques applicable to other water-soluble materials. We also observed red shifts in the absorption bands of water in the hydration shell around solute molecules, which comes from the contribution of the interacting water molecules around the glucose molecules in solutions. The intensity of the red shift gets larger as the concentration increases, which indicates that as the concentration increases more water molecules are involved in the interaction. However, the red shift in frequency does not seem to depend significantly on the concentration. We also performed the same measurements and analysis with sucrose instead of glucose as solute and compared.

  9. Analysis of wavelength-dependent photoisomerization quantum yields in bilirubins by fitting two exciton absorption bands

    NASA Astrophysics Data System (ADS)

    Mazzoni, M.; Agati, G.; Troup, G. J.; Pratesi, R.

    2003-09-01

    The absorption spectra of bilirubins were deconvoluted by two Gaussian curves of equal width representing the exciton bands of the non-degenerate molecular system. The two bands were used to study the wavelength dependence of the (4Z, 15Z) rightarrow (4Z, 15E) configurational photoisomerization quantum yield of the bichromophoric bilirubin-IXalpha (BR-IX), the intrinsically asymmetric bile pigment associated with jaundice and the symmetrically substituted bilirubins (bilirubin-IIIalpha and mesobilirubin-XIIIalpha), when they are irradiated in aqueous solution bound to human serum albumin (HSA). The same study was performed for BR-IX in ammoniacal methanol solution (NH4OH/MeOH). The quantum yields of the configurational photoprocesses were fitted with a combination function of the two Gaussian bands normalized to the total absorption, using the proportionality coefficients and a scaling factor as parameters. The decrease of the (4Z, 15Z) rightarrow (4Z, 15E) quantum yield with increasing wavelength, which occurs for wavelengths longer than the most probable Franck-Condon transition of the molecule, did not result in a unique function of the exciton absorptions. In particular we found two ranges corresponding to different exciton interactions with different proportionality coefficients and scaling factors. The wavelength-dependent photoisomerization of bilirubins was described as an abrupt change in quantum yield as soon as the resulting excitation was strongly localized in each chromophore. The change was correlated to a variation of the interaction between the two chromophores when the short-wavelength exciton absorption became vanishingly small. With the help of the circular dichroism (CD) spectrum of BR-IX in HSA, a small band was resolved in the bilirubin absorption spectrum, delivering part of the energy required for the (4Z, 15Z) rightarrow (4Z, 15E) photoisomerization of the molecule.

  10. Assignment and rotational analysis of new absorption bands of carbon dioxide isotopologues in Venus spectra

    NASA Astrophysics Data System (ADS)

    Robert, S.; Borkov, Yu. G.; Vander Auwera, J.; Drummond, R.; Mahieux, A.; Wilquet, V.; Vandaele, A. C.; Perevalov, V. I.; Tashkun, S. A.; Bertaux, J. L.

    2013-01-01

    We present absorption bands of carbon dioxide isotopologues, detected by the Solar Occultation for the Infrared Range (SOIR) instrument on board the Venus Express Satellite. The SOIR instrument combines an echelle spectrometer and an Acousto-Optical Tunable Filter (AOTF) for order selection. It performs solar occultation measurements in the Venus atmosphere in the IR region (2.2-4.3 μm), at a resolution of 0.12-0.18 cm-1. The wavelength range probed by SOIR allows a detailed chemical inventory of the Venus atmosphere above the cloud layer (65-150 km) to be made with emphasis on the vertical distributions of gases. Thanks to the SOIR spectral resolution, a new CO2 absorption band was identified: the 21101-01101 band of 16O12C18O with R branch up to J=31. Two other previously reported bands were observed dispelling any doubts about their identifications: the 20001-00001 band of 16O13C18O [Villanueva G, et al. J Quant Spectrosc Radiat Transfer 2008;109:883-894] and the 01111-00001 band of 16O12C18O [Villanueva G, et al. J Quant Spectrosc Radiat Transfer 2008;109:883-894 and Wilquet V, et al. J Quant Spectrosc Radiat Transfer 2008;109:895-905]. These bands were analyzed, and spectroscopic constants characterizing them were obtained. The rotational assignment of the 20001-00001 band was corrected. The present measurements are compared with data available in the HITRAN database.

  11. The temporary threshold shift of vibratory sensation induced by composite-band vibration exposure.

    PubMed

    Nishiyama, K; Taoda, K; Yamashita, H; Watanabe, S

    1996-01-01

    Eight healthy subjects were exposed to three 1/3 octave-band vibrations (63, 200, and 500 Hz) by hand clasping a vibrated handle in a soundproof and thermoregulated room. The vibratory sensation threshold at 125 Hz was measured before and after the vibration exposure at an exposed fingertip. According to a preceding study, we first determined the relationship between the acceleration of the vibration and the temporary threshold shift of vibratory sensation immediately after the vibratory exposure (TTSv,0) induced by 1/3 octave-band vibration. We then measured TTSv after the exposure to a composite vibration composed of two 1/3 octave-band vibrations that might induce an equal magnitude of TTSv,0 on the basis of the above relationship. The TTSv,0 induced by the composite vibration was not larger than the TTSv,0 induced by the component vibrations. This result suggests that the component of the vibration inducing the largest TTSv,0 determines the TTSv,0 by broad-band random vibration.

  12. Light-controlled band shift in synthetic opals filled with an optically nonlinear dye solution

    SciTech Connect

    Goncharenko, A M; Sinitsyn, G V; Lyakhnovich, A V; Apanasevich, S P; Khodasevich, M A; Varaksa, Yu A; Samoilovich, M I; Basiev, T T; Orlovskii, Yu V

    2008-01-31

    The light-induced nonlinear response of SiO{sub 2} synthetic opals filled with a dye solution in ethanol is experimentally studied. Excitation of samples by radiation with a power density of {approx}10 W cm{sup -2} causes changes in their transmission and reflection due to the light-induced dynamic shift of the stop band of a photonic crystal. Synthetic opals studied in the paper can be used in optical gates and light-controlled switches. (nonlinear optical phenomena)

  13. Monolayer-induced band shifts at Si(100) and Si(111) surfaces

    SciTech Connect

    Mäkinen, A. J. Kim, Chul-Soo; Kushto, G. P.

    2014-01-27

    We report our study of the interfacial electronic structure of Si(100) and Si(111) surfaces that have been chemically modified with various organic monolayers, including octadecene and two para-substituted benzene derivatives. X-ray photoelectron spectroscopy reveals an upward band shift, associated with the assembly of these organic monolayers on the Si substrates, that does not correlate with either the dipole moment or the electron withdrawing/donating character of the molecular moieties. This suggests that the nature and quality of the self-assembled monolayer and the intrinsic electronic structure of the semiconductor material define the interfacial electronic structure of the functionalized Si(100) and Si(111) surfaces.

  14. The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions.

    PubMed

    Stockett, Mark H; Musbat, Lihi; Kjær, Christina; Houmøller, Jørgen; Toker, Yoni; Rubio, Angel; Milne, Bruce F; Brøndsted Nielsen, Steen

    2015-10-21

    We have performed gas-phase absorption spectroscopy in the Soret-band region of chlorophyll (Chl) a and b tagged by quaternary ammonium ions together with time-dependent density functional theory (TD-DFT) calculations. This band is the strongest in the visible region of metalloporphyrins and an important reporter on the microenvironment. The cationic charge tags were tetramethylammonium, tetrabutylammonium, and acetylcholine, and the dominant dissociation channel in all cases was breakage of the complex to give neutral Chl and the charge tag as determined by photoinduced dissociation mass spectroscopy. Two photons were required to induce fragmentation on the time scale of the experiment (microseconds). Action spectra were recorded where the yield of the tag as a function of excitation wavelength was sampled. These spectra are taken to represent the corresponding absorption spectra. In the case of Chl a we find that the tag hardly influences the band maximum which for all three tags is at 403 ± 5 nm. A smaller band with maximum at 365 ± 10 nm was also measured for all three complexes. The spectral quality is worse in the case of Chl b due to lower ion beam currents; however, there is clear evidence for the absorption being to the red of that of Chl a (most intense peak at 409 ± 5 nm) and also a more split band. Our results demonstrate that the change in the Soret-band spectrum when one peripheral substituent (CH3) is replaced by another (CHO) is an intrinsic effect. First principles TD-DFT calculations agree with our experiments, supporting the intrinsic nature of the difference between Chl a and b and also displaying minimal spectral changes when different charge tags are employed. The deviations between theory and experiment have allowed us to estimate that the Soret-band absorption maxima in vacuo for the neutral Chl a and Chl b should occur at 405 nm and 413 nm, respectively. Importantly, the Soret bands of the isolated species are significantly blueshifted

  15. PRINCIPAL INFRARED ABSORPTION BANDS OF SOME DERIVATIVES OF 1,3-DINITROBENZENE AND 1,3,5TRINITROBENZENE,

    DTIC Science & Technology

    The frequencies of the strong infrared absorption bands of 46 derivatives of di- and tri-nitrobenzene were measured and tabulated. The vibrational ... modes producing these absorptions were assigned in most cases. The effect of structure on the frequency of the absorption due to each of the modes is discussed, with emphasis on identifying unknowns. (Author)

  16. An alternative model for photodynamic therapy of cancers: Hot-band absorption

    NASA Astrophysics Data System (ADS)

    Wang, Jing; Chen, Jiyao

    2013-12-01

    The sulfonated aluminum phthalocyanine (AlPcS), a photosensitizer for photodynamic cancer therapy (PDT), has an absorption tail in the near-infrared region (700-900 nm) which is so-called hot band absorption (HBA). With the HBA of 800 nm, the up-conversion excitation of AlPcS was achieved followed by the anti-Stocks emission (688 nm band) and singlet oxygen production. The HBA PDT of AlPcS seriously damaged the KB and HeLa cancer cells, with a typical light dose dependent mode. Particularly, the in vitro experiments with the AlPcS shielding solutions further showed that the HBA PDT can overcome a self-shielding effect benefiting the PDT applications.

  17. PHASE ANGLE EFFECTS ON 3 μm ABSORPTION BAND ON CERES: IMPLICATIONS FOR DAWN MISSION

    SciTech Connect

    Takir, D.; Reddy, V.; Sanchez, J. A.; Corre, L. Le; Hardersen, P. S.; Nathues, A.

    2015-05-01

    Phase angle-induced spectral effects are important to characterize since they affect spectral band parameters such as band depth and band center, and therefore skew mineralogical interpretations of planetary bodies via reflectance spectroscopy. Dwarf planet (1) Ceres is the next target of NASA’s Dawn mission, which is expected to arrive in 2015 March. The visible and near-infrared mapping spectrometer (VIR) on board Dawn has the spatial and spectral range to characterize the surface between 0.25–5.0 μm. Ceres has an absorption feature at 3.0 μm due to hydroxyl- and/or water-bearing minerals. We analyzed phase angle-induced spectral effects on the 3 μm absorption band on Ceres using spectra measured with the long-wavelength cross-dispersed (LXD: 1.9–4.2 μm) mode of the SpeX spectrograph/imager at the NASA Infrared Telescope Facility. Ceres LXD spectra were measured at different phase angles ranging from 0.°7 to 22°. We found that the band center slightly increases from 3.06 μm at lower phase angles (0.°7 and 6°) to 3.07 μm at higher phase angles (11° and 22°), the band depth decreases by ∼20% from lower phase angles to higher phase angles, and the band area decreases by ∼25% from lower phase angles to higher phase angles. Our results will have implications for constraining the abundance of OH on the surface of Ceres from VIR spectral data, which will be acquired by Dawn starting spring 2015.

  18. Collisional Induced Absorption (CIA) bands measured in the IR spectral range .

    NASA Astrophysics Data System (ADS)

    Stefani, S.; Piccioni, G.; Snels, M.; Adriani, A.; Grassi, D.

    In this work we present two experimental setup able to characterize the optical properties of gases, in particular CO_2 and H_2, at typically planetary conditions. The apparatus consists of a Fourier Transform InfraRed (FT-IT) interferometer able to work in a wide spectral range, from 350 to 25000 cm-1 (0.4 to 29 mu m ) with a relatively high spectral resolution, from 10 to 0.07 cm-1. Two dedicated gas cells have been integrated with the FT-IR. The first, called High Pressure High Temperature (HP-HT), can support pressures up to 300 bar, temperatures up to 300oC and is characterized by an optical path of 2 cm. The second one, a Multi Pass (MP) absorption gas cell, is designed to have a variable optical path, from 2.5 to 30 m, can be heated up to 200o and operate at pressures up to 10 bar. In this paper, measurements of Collision-Induced Absorption (CIA) bands in carbon dioxide and hydrogen recorded in the InfraRed spectral range will be presented. In principle, linear symmetric molecules such as CO_2 and H_2 possess no dipole moment, but, even when the pressure is only a few bar, we have observed the Collisional Induced Absorption (CIA) bands. This absorption results from a short-time collisional interaction between molecules. The band integrated intensity shows a quadratic dependence versus density opposed to the absorption by isolated molecules, which follows Beer's law \\citep{Beer's}. This behaviour suggests an absorption by pairs rather than by individual molecules. The bands integrated intensities show a linear dependence vs square density according to \\citep {CIA Shape} and \\citep{CIA posi}. For what concerns the H_2 CIA bands, a preliminary comparison between simulated data obtained with the model described in \\citep{CIA H2}and measured, shows a good agreement. These processes are very relevant in the dense atmospheres of planets, such as those of Venus and Jupiter and also in extrasolar planets. A detailed knowledge of these contributions is very

  19. A laboratory investigation of a physical mechanism for the extended infrared absorption ('red shift') in wheat

    NASA Technical Reports Server (NTRS)

    Schutt, J. B.; Rowland, R. R.; Heartly, W. H.

    1984-01-01

    Laboratory spectral measurements, on the components of both greenhouse and field grown winter wheat, were performed to identify the component and its appropriate response which gave rise to the extended infrared absorption or 'red shift' reported by Collins. Results of this study indicated that inherent intraplant adaxial (upper) leaf reflectances were of sufficient variability to suggest that an admixture of mechanisms may have utility on identifying the booting and head emergence stages in the life cycle of wheat. The physical mechanism for the shift was found to be relatively independent of the inherent variability in leaf spectra, and to be dependent upon the difference in the mode of deposition of cuticle upon the abaxial (lower) surface relative to that of the adaxial (upper) surface, the position of the flag leaf, and thus the surface exposed to the incident light during heading and after emergence of the head.

  20. Decomposing the First Absorption Band of OCS Using Photofragment Excitation Spectroscopy.

    PubMed

    Toulson, Benjamin W; Murray, Craig

    2016-09-01

    Photofragment excitation spectra of carbonyl sulfide (OCS) have been recorded from 212-260 nm by state-selectively probing either electronically excited S((1)D) or ground state S((3)P) photolysis products via 2 + 1 resonance-enhanced multiphoton ionization. Probing the major S((1)D) product results in a broad, unstructured action spectrum that reproduces the overall shape of the first absorption band. In contrast, spectra obtained probing S((3)P) products display prominent resonances superimposed on a broad continuum; the resonances correspond to the diffuse vibrational structure observed in the conventional absorption spectrum. The vibrational structure is assigned to four progressions, each dominated by the C-S stretch, ν1, following direct excitation to quasi-bound singlet and triplet states. The S((3)PJ) products are formed with a near-statistical population distribution over the J = 2, 1, and 0 spin-orbit levels across the wavelength range investigated. Although a minor contributor to the S atom yield near the peak of the absorption cross section, the relative yield of S((3)P) increases significantly at longer wavelengths. The experimental measurements validate recent theoretical work characterizing the electronic states responsible for the first absorption band by Schmidt and co-workers.

  1. Direct Manifestation of the Band Topology via the Zak Shift of the Wannier-Stark Ladder

    NASA Astrophysics Data System (ADS)

    Lee, Woo-Ram; Park, Kwon

    2015-03-01

    Topological phases of matter have been topics of intense interest in modern condensed matter physics. Numerous efforts have been devoted to investigating various exotic properties of materials with non-trivial band topology. The dissipationless transport via gapless helical edge or surface states is one of the defining properties of such materials, which, however, has been very difficult to realize in experiment due to various backscattering sources induced in the sample boundaries. In this work, we show that there is a fundamental connection between the non-trivial topology of the band structure and the Zak shift of the Wannier-Stark ladder emerging under a static electric field. As an application of this connection, we propose a novel spectroscopic method to directly manifest the band topology by counting the winding number of the Zak phase across the first Brillouin zone, which is shown to be robust against electron-impurity scattering. The authors thank KIAS Center for Advanced Computation (CAC) for providing computing resources.

  2. Small fluorescence-activating and absorption-shifting tag for tunable protein imaging in vivo

    PubMed Central

    Plamont, Marie-Aude; Billon-Denis, Emmanuelle; Maurin, Sylvie; Gauron, Carole; Pimenta, Frederico M.; Specht, Christian G.; Shi, Jian; Quérard, Jérôme; Pan, Buyan; Rossignol, Julien; Moncoq, Karine; Morellet, Nelly; Volovitch, Michel; Lescop, Ewen; Chen, Yong; Triller, Antoine; Vriz, Sophie; Le Saux, Thomas; Jullien, Ludovic; Gautier, Arnaud

    2016-01-01

    This paper presents Yellow Fluorescence-Activating and absorption-Shifting Tag (Y-FAST), a small monomeric protein tag, half as large as the green fluorescent protein, enabling fluorescent labeling of proteins in a reversible and specific manner through the reversible binding and activation of a cell-permeant and nontoxic fluorogenic ligand (a so-called fluorogen). A unique fluorogen activation mechanism based on two spectroscopic changes, increase of fluorescence quantum yield and absorption red shift, provides high labeling selectivity. Y-FAST was engineered from the 14-kDa photoactive yellow protein by directed evolution using yeast display and fluorescence-activated cell sorting. Y-FAST is as bright as common fluorescent proteins, exhibits good photostability, and allows the efficient labeling of proteins in various organelles and hosts. Upon fluorogen binding, fluorescence appears instantaneously, allowing monitoring of rapid processes in near real time. Y-FAST distinguishes itself from other tagging systems because the fluorogen binding is highly dynamic and fully reversible, which enables rapid labeling and unlabeling of proteins by addition and withdrawal of the fluorogen, opening new exciting prospects for the development of multiplexing imaging protocols based on sequential labeling. PMID:26711992

  3. Small fluorescence-activating and absorption-shifting tag for tunable protein imaging in vivo.

    PubMed

    Plamont, Marie-Aude; Billon-Denis, Emmanuelle; Maurin, Sylvie; Gauron, Carole; Pimenta, Frederico M; Specht, Christian G; Shi, Jian; Quérard, Jérôme; Pan, Buyan; Rossignol, Julien; Moncoq, Karine; Morellet, Nelly; Volovitch, Michel; Lescop, Ewen; Chen, Yong; Triller, Antoine; Vriz, Sophie; Le Saux, Thomas; Jullien, Ludovic; Gautier, Arnaud

    2016-01-19

    This paper presents Yellow Fluorescence-Activating and absorption-Shifting Tag (Y-FAST), a small monomeric protein tag, half as large as the green fluorescent protein, enabling fluorescent labeling of proteins in a reversible and specific manner through the reversible binding and activation of a cell-permeant and nontoxic fluorogenic ligand (a so-called fluorogen). A unique fluorogen activation mechanism based on two spectroscopic changes, increase of fluorescence quantum yield and absorption red shift, provides high labeling selectivity. Y-FAST was engineered from the 14-kDa photoactive yellow protein by directed evolution using yeast display and fluorescence-activated cell sorting. Y-FAST is as bright as common fluorescent proteins, exhibits good photostability, and allows the efficient labeling of proteins in various organelles and hosts. Upon fluorogen binding, fluorescence appears instantaneously, allowing monitoring of rapid processes in near real time. Y-FAST distinguishes itself from other tagging systems because the fluorogen binding is highly dynamic and fully reversible, which enables rapid labeling and unlabeling of proteins by addition and withdrawal of the fluorogen, opening new exciting prospects for the development of multiplexing imaging protocols based on sequential labeling.

  4. Search for CO absorption bands in IUE far-ultraviolet spectra of cool stars

    NASA Technical Reports Server (NTRS)

    Gessner, Susan E.; Carpenter, Kenneth G.; Robinson, Richard D.

    1994-01-01

    Observations of the red supergiant (M2 Iab) alpha Ori with the Goddard High Resolution Spectrograph (GHRS) on board the Hubble Space Telescope (HST) have provided an unambiguous detection of a far-ultraviolet (far-UV) chromospheric continuum on which are superposed strong molecular absorption bands. The absorption bands have been identified by Carpenter et al. (1994) with the fourth-positive A-X system of CO and are likely formed in the circumstellar shell. Comparison of these GHRS data with archival International Ultraviolet Explorer (IUE) spectra of alpha Ori indicates that both the continuum and the CO absorption features can be seen with IUE, especially if multiple IUE spectra, reduced with the post-1981 IUESIPS extraction procedure (i.e., with an oversampling slit), are carefully coadded to increase the signal to noise over that obtainable with a single spectrum. We therefore initiated a program, utilizing both new and archival IUE Short Wavelength Prime (SWP) spectra, to survey 15 cool, low-gravity stars, including alpha Ori, for the presence of these two new chromospheric and circumstellar shell diagnostics. We establish positive detections of far-UV stellar continua, well above estimated IUE in-order scattered light levels, in spectra of all of the program stars. However, well-defined CO absorption features are seen only in the alpha Ori spectra, even though spectra of most of the program stars have sufficient signal to noise to allow the dectection of features of comparable magnitude to the absorptions seen in alpha Ori. Clearly if CO is present in the circumstellar environments of any of these stars, it is at much lower column densities.

  5. Conduction-band electronic states of YbInCu{sub 4} studied by photoemission and soft x-ray absorption spectroscopies

    SciTech Connect

    Utsumi, Yuki; Kurihara, Hidenao; Maso, Hiroyuki; Tobimatsu, Komei; Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi; Hiraoka, Koichi; Kojima, Kenichi; Ohkochi, Takuo; Fujimori, Shin-ichi; Takeda, Yukiharu; Saitoh, Yuji; Mimura, Kojiro; Ueda, Shigenori; Yamashita, Yoshiyuki; Yoshikawa, Hideki; Kobayashi, Keisuke; Oguchi, Tamio; Taniguchi, Masaki

    2011-09-15

    We have studied conduction-band (CB) electronic states of a typical valence-transition compound YbInCu{sub 4} by means of temperature-dependent hard x-ray photoemission spectroscopy (HX-PES) of the Cu 2p{sub 3/2} and In 3d{sub 5/2} core states taken at h{nu}=5.95 keV, soft x-ray absorption spectroscopy (XAS) of the Cu 2p{sub 3/2} core absorption region around h{nu}{approx}935 eV, and soft x-ray photoemission spectroscopy (SX-PES) of the valence band at the Cu 2p{sub 3/2} absorption edge of h{nu}=933.0 eV. With decreasing temperature below the valence transition at T{sub V}=42 K, we have found that (1) the Cu 2p{sub 3/2} and In 3d{sub 5/2} peaks in the HX-PES spectra exhibit the energy shift toward the lower binding-energy side by {approx}40 and {approx}30 meV, respectively, (2) an energy position of the Cu 2p{sub 3/2} main absorption peak in the XAS spectrum is shifted toward higher photon-energy side by {approx}100 meV, with an appearance of a shoulder structure below the Cu 2p{sub 3/2} main absorption peak, and (3) an intensity of the Cu L{sub 3}VV Auger spectrum is abruptly enhanced. These experimental results suggest that the Fermi level of the CB-derived density of states is shifted toward the lower binding-energy side. We have described the valence transition in YbInCu{sub 4} in terms of the charge transfer from the CB to Yb 4f states.

  6. Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques

    PubMed Central

    Limaye, Mukta V.; Chen, S. C.; Lee, C. Y.; Chen, L. Y.; Singh, Shashi B.; Shao, Y. C.; Wang, Y. F.; Hsieh, S. H.; Hsueh, H. C.; Chiou, J. W.; Chen, C. H.; Jang, L. Y.; Cheng, C. L.; Pong, W. F.; Hu, Y. F.

    2015-01-01

    The correlation between sub-band gap absorption and the chemical states and electronic and atomic structures of S-hyperdoped Si have been extensively studied, using synchrotron-based x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge spectroscopy (XANES), extended x-ray absorption fine structure (EXAFS), valence-band photoemission spectroscopy (VB-PES) and first-principles calculation. S 2p XPS spectra reveal that the S-hyperdoped Si with the greatest (~87%) sub-band gap absorption contains the highest concentration of S2− (monosulfide) species. Annealing S-hyperdoped Si reduces the sub-band gap absorptance and the concentration of S2− species, but significantly increases the concentration of larger S clusters [polysulfides (Sn2−, n > 2)]. The Si K-edge XANES spectra show that S hyperdoping in Si increases (decreased) the occupied (unoccupied) electronic density of states at/above the conduction-band-minimum. VB-PES spectra evidently reveal that the S-dopants not only form an impurity band deep within the band gap, giving rise to the sub-band gap absorption, but also cause the insulator-to-metal transition in S-hyperdoped Si samples. Based on the experimental results and the calculations by density functional theory, the chemical state of the S species and the formation of the S-dopant states in the band gap of Si are critical in determining the sub-band gap absorptance of hyperdoped Si samples. PMID:26098075

  7. Infrared absorption band in deformed qtz crystals analyzed by combining different microstructural methods

    NASA Astrophysics Data System (ADS)

    Stunitz, Holger; Thust, Anja; Behrens, Harald; Heilbronner, Renee; Kilian, Ruediger

    2016-04-01

    Natural single crystals of quartz have been experimentally deformed in two orientations: (1) normal to one prism-plane, (2) In O+ orientation at temperatures of 900 and 1000°C, pressures of 1.0 and 1.5 GPa, and strain rates of ~1 x 10-6s-1. The starting material is milky quartz, consisting of dry quartz (H2O contents of <150 H/106Si) with fluid inclusions (FI). During pressurization many FÍs decrepitate. Cracks heal and small neonate FÍs form, increasing the number of FÍs drastically. During subsequent deformation, the size of FÍs is further reduced (down to ~10 nm). Sample deformation occurs by dominant dislocation glide on selected slip systems, accompanied by some dynamic recovery. Strongly deformed regions show FTIR spectra with a pointed broad absorption band in the ~3400 cm-1 region as a superposition of molecular H2O bands and three discrete absorption bands (at 3367, 3400, and 3434 cm-1). In addition, there is a discrete absorption band at 3585 cm-1, which only occurs in deformed regions. The 3585 cm-1 band is reduced or even disappears after annealing. This band is polarized and represents structurally bound H, its H-content is estimated to be 1-3% of the total H2O-content and appears to be associated with dislocations. The H2O weakening effect in our FI-bearing natural quartz crystals is assigned to the processes of dislocation generation and multiplication at small FÍs. The deformation processes in these crystals represent a recycling of H2O between FÍs, dislocation generation at very small fluid inclusions, incorporation of structurally bound H into dislocation cores, and release of H2O from dislocations back into FÍs during recovery. Cracking and crack healing play an important role in the recycling process and imply a close interrelationship between brittle and crystal plastic deformation. The H2O weakening by this process is of a disequilibrium nature and thus depends on the amount of H2O available.

  8. Reassignment of the Iron (3) Absorption Bands in the Spectra of Mars

    NASA Technical Reports Server (NTRS)

    Sherman, D. M.

    1985-01-01

    Absorption features in the near-infrared and visible region reflectance spectra of Mars have been assigned to specific Fe (3+) crystal-field and o(2-) yields Fe(3+) charge transfer transitions. Recently, near-ultraviolet absorption spectra of iron oxides were obtained and the energies of o(2-) yields Fe(3+) charge-transfer (LMCT) transitions were determined from accurate SCF-X # alpha-SW molecular orbital calculations on (FeO6)(9-) and (FeO4)(5-) clusters. Both the theoretical and experimental results, together with existing data in the literature, show that some of the previous Fe(3+) band assignments in the spectra of Mars need to be revised. The theory of Fe(3+) spectra in minerals is discussed and applied to the spectrum of Mars.

  9. Near-infrared broad-band cavity enhanced absorption spectroscopy using a superluminescent light emitting diode.

    PubMed

    Denzer, W; Hamilton, M L; Hancock, G; Islam, M; Langley, C E; Peverall, R; Ritchie, G A D

    2009-11-01

    A fibre coupled near-infrared superluminescent light emitting diode that emits approximately 10 mW of radiation between 1.62 and 1.7 microm is employed in combination with a broad-band cavity enhanced spectrometer consisting of a linear optical cavity with mirrors of reflectivity approximately 99.98% and either a dispersive near-infrared spectrometer or a Fourier transform interferometer. Results are presented on the absorption of 1,3-butadiene, and sensitivities are achieved of 6.1 x 10(-8) cm(-1) using the dispersive spectrometer in combination with phase-sensitive detection, and 1.5 x 10(-8) cm(-1) using the Fourier transform interferometer (expressed as a minimum detectable absorption coefficient) over several minutes of acquisition time.

  10. Collisional Induced Absorption (CIA) bands of CO2 and H2 measured in the IR spectral range

    NASA Astrophysics Data System (ADS)

    Stefani, S.; Piccioni, G.; Snels, M.; Adriani, A.; Grassi, D.

    2015-10-01

    In this paper we present the results on the Collisional Induced Absorption (CIA) bands of CO2 and H2 measured employing two different experimental setup. Each of them allows us to reproduce typical planetary conditions, at a pressure and temperature from 1 up to 50 bar and from 298 up to 500 K respectively. A detailed study on the temperature dependence of the CO2 CIA absorption bands will be presented.

  11. Study of sub band gap absorption of Sn doped CdSe thin films

    NASA Astrophysics Data System (ADS)

    Kaur, Jagdish; Rani, Mamta; Tripathi, S. K.

    2014-04-01

    The nanocrystalline thin films of Sn doped CdSe at different dopants concentration are prepared by thermal evaporation technique on glass substrate at room temperature. The effect of Sn doping on the optical properties of CdSe has been studied. A decrease in band gap value is observed with increase in Sn concentration. Constant photocurrent method (CPM) is used to study the absorption coefficient in the sub band gap region. Urbach energy has been obtained from CPM spectra which are found to increase with amount of Sn dopants. The refractive index data calculated from transmittance is used for the identification of oscillator strength and oscillator energy using single oscillator model which is found to be 7.7 and 2.12 eV, 6.7 and 2.5 eV for CdSe:Sn 1% and CdSe:Sn 5% respectively.

  12. Furan- and Thiophene-Based Auxochromes Red-shift Chlorin Absorptions and Enable Oxidative Chlorin Polymerizations.

    PubMed

    Xiong, Ruisheng; Bornhof, Anna-Bea; Arkhypchuk, Anna I; Orthaber, Andreas; Borbas, K Eszter

    2016-11-08

    The de novo syntheses of chemically stable chlorins with five-membered heterocyclic (furane, thiophene, formylfurane and formylthiophene) substituents in selected meso- and β-positions are reported. Heterocycle incorporation in the 3- and 13-positions shifted the chlorin absorption and emission to the red (up to λem =680 nm), thus these readily incorporated substituents function analogously to auxochromes present in chlorophylls, for example, formyl and vinyl groups. Photophysical, theoretical and X-ray crystallographic experiments revealed small but significant differences between the behavior of the furan- and the thiophene-based auxochromes. Four regioisomeric bis-thienylchlorins (3,10; 3,13, 3,15 and 10,15) were oxidatively electropolymerized; the chlorin monomer geometry had a profound impact on the polymerization efficiency and the electrochemical properties of the resulting material. Chemical co-polymerization of 3,13-bis-thienylchlorin with 3-hexylthiophene yielded an organic-soluble red-emitting polymer.

  13. Femtosecond supercontinuum generation in water in the vicinity of absorption bands.

    PubMed

    Dharmadhikari, J A; Steinmeyer, G; Gopakumar, G; Mathur, D; Dharmadhikari, A K

    2016-08-01

    We show that it is possible to overcome the perceived limitations caused by absorption bands in water so as to generate supercontinuum (SC) spectra in the anomalous dispersion regime that extend well beyond 2000 nm wavelength. By choosing a pump wavelength within a few hundred nanometers above the zero-dispersion wavelength of 1048 nm, initial spectral broadening extends into the normal dispersion regime and, in turn, the SC process in the visible strongly benefits from phase-matching and matching group velocities between dispersive radiation and light in the anomalous dispersion regime. Some of the SC spectra are shown to encompass two and a half octaves.

  14. Theoretical Modeling of Low Energy Electronic Absorption Bands in Reduced Cobaloximes

    PubMed Central

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2015-01-01

    The reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task. PMID:25113847

  15. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes.

    PubMed

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L; Gray, Harry B; Fujita, Etsuko; Muckerman, James T; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M; Field, Martin J

    2014-10-06

    The reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we analyze the low-energy electronic absorption bands of two cobaloxime systems experimentally and use a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  16. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    SciTech Connect

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  17. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    DOE PAGES

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; ...

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  18. Optimal Reflectance, Transmittance, and Absorptance Wavebands and Band Ratios for the Estimation of Leaf Chlorophyll Concentration

    NASA Technical Reports Server (NTRS)

    Carter, Gregory A.; Spiering, Bruce A.

    2000-01-01

    The present study utilized regression analysis to identify: wavebands and band ratios within the 400-850 nm range that could be used to estimate total chlorophyll concentration with minimal error; and simple regression models that were most effective in estimating chlorophyll concentrations were measured for two broadleaved species, a broadleaved vine, a needle-leaved conifer, and a representative of the grass family.Overall, reflectance, transmittance, and absorptance corresponded most precisely with chlorophyll concentration at wavelengths near 700 nm, although regressions were strong as well in the 550-625 nm range.

  19. C-13 NMR chemical shifts and visible absorption spectra of unsymmetrical fluoran dye by MO calculations

    NASA Astrophysics Data System (ADS)

    Hoshiba, T.; Ida, T.; Mizuno, M.; Otsuka, T.; Takaoka, K.; Endo, K.

    2002-01-01

    An unsymmetrical fluoran dye, 3-diethylamino-6-methyl-7-chlorofluoran (DEAMCF) is one of the leuco dyes which shows the coloring-to-decoloring reversible reaction with acidity. We calculated the 13C chemical shieldings of the DEAMCF with the frame model compounds using ab initio gauge invariant atomic orbital methods, and compared it with the experimental shifts. The calculated values of the frame compounds are in good agreement with the experimental ones in the error range of -4.9-16.7 ppm. The calculated ones for the decolored-form of the DEAMCF reflected the observed ones, although the errors range from -13.4 to 23.1 ppm. Furthermore, we analyzed the UV-Visible absorption spectra of the decolored and colored forms of DEAMCF by a semiempirical ZINDO MO method. For the colored form, the observed absorption peaks at 550 and 510 nm correspond to the excitation from π-bonding HOMO (π-electrons which conjugated in xanthene ring) and π-bonding nearest HOMO (π-electrons concentrated in benzene-ring with methyl and Cl groups of xanthene) to π ∗-antibonding LUMO (π ∗-electrons of xanthene), respectively.

  20. The nature of splitting of fullerene C{sub 70} polarized absorption bands in liquid-crystal matrices

    SciTech Connect

    Aver`yanov, E.M.

    1994-06-01

    The recently discovered splitting of polarized electronic absorption bands of fullerene C{sub 70} in uniaxial liquid-crystal matrices is shown to result from the spectral dependence of the polarization of these bands relative to the molecular coordinate system. 9 refs.

  1. Absorption coefficients for the 6190-A CH4 band between 290 and 100 K with application to Uranus' atmosphere

    NASA Technical Reports Server (NTRS)

    Smith, Wm. Hayden; Conner, Charles P.; Baines, Kevin H.

    1990-01-01

    A novel laser intracavity photoacoustic spectroscopy method allowing high sample control accuracy due to the small sample volume required has been used to obtain absorption coefficients for the CH4 6190 A band as a function of temperature, from 290 to 100 K. The peak absorption coefficient is found to increase from 0.6 to 1.0/cm, and to be accompanied by significant band shape changes. When used to further constrain the Baines and Bergstrahl (1986) standard model of the Uranus atmosphere, the low-temperature data yield an excellent fit to the bandshape near the 6190 A band's minimum.

  2. Absorption coefficients for the 6190-A CH sub 4 band between 290 and 100 K with application to Uranus' atmosphere

    SciTech Connect

    Smith, WM.H.; Conner, C.P.; Baines, K.H. JPL, Pasadena, CA )

    1990-05-01

    A novel laser intracavity photoacoustic spectroscopy method allowing high sample control accuracy due to the small sample volume required has been used to obtain absorption coefficients for the CH{sub 4} 6190 A band as a function of temperature, from 290 to 100 K. The peak absorption coefficient is found to increase from 0.6 to 1.0/cm, and to be accompanied by significant band shape changes. When used to further constrain the Baines and Bergstrahl (1986) standard model of the Uranus atmosphere, the low-temperature data yield an excellent fit to the bandshape near the 6190 A band's minimum. 18 refs.

  3. Band tail absorption saturation in CdWO4 with 100 fs laser pulses.

    PubMed

    Laasner, R; Fedorov, N; Grigonis, R; Guizard, S; Kirm, M; Makhov, V; Markov, S; Nagirnyi, V; Sirutkaitis, V; Vasil'ev, A; Vielhauer, S; Tupitsyna, I A

    2013-06-19

    The decay kinetics of the excitonic emission of CdWO4 scintillators was studied under excitation by powerful 100 fs laser pulses in the band tail (Urbach) absorption region. A special imaging technique possessing both spatial and temporal resolution provided a unique insight into the Förster dipole-dipole interaction of self-trapped excitons, which is the main cause of the nonlinear quenching of luminescence in this material. In addition, the saturation of phonon-assisted excitonic absorption due to extremely short excitation pulses was discovered. A model describing the evolution of electronic excitations in the conditions of absorption saturation was developed and an earlier model of decay kinetics based on the Förster interaction was extended to include the saturation effect. Compared to the previous studies, a more accurate calculation yields 3.7 nm as the Förster interaction radius. It was shown that exciton-exciton interaction is the main source of scintillation nonproportionality in CdWO4. A quantitative description using a new model of nonproportionality was presented, making use of the corrected value of the Förster radius.

  4. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    PubMed Central

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-01-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies. PMID:26477740

  5. Thermally induced effect on sub-band gap absorption in Ag doped CdSe thin films

    NASA Astrophysics Data System (ADS)

    Kaur, Jagdish; Sharma, Kriti; Bharti, Shivani; Tripathi, S. K.

    2015-05-01

    Thin films of Ag doped CdSe have been prepared by thermal evaporation using inert gas condensation (IGC) method taking Argon as inert gas. The prepared thin films are annealed at 363 K for one hour. The sub-band gap absorption spectra in the as deposited and annealed thin films have been studied using constant photocurrent method (CPM). The absorption coefficient in the sub-band gap region is described by an Urbach tail in both as deposited and annealed thin films. The value of Urbach energy and number density of trap states have been calculated from the absorption coefficient in the sub-band gap region which have been found to increase after annealing treatment indicating increase in disorderness in the lattice. The energy distribution of the occupied density of states below Fermi level has also been studied using derivative procedure of absorption coefficient.

  6. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    NASA Astrophysics Data System (ADS)

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-10-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies.

  7. Total ozone and aerosol optical depths inferred from radiometric measurements in the Chappuis absorption band

    SciTech Connect

    Flittner, D.E.; Herman, B.M.; Thome, K.J.; Simpson, J.M.; Reagan, J.A. )

    1993-04-15

    A second-derivative smoothing technique, commonly used in inversion work, is applied to the problem of inferring total columnar ozone amounts and aerosol optical depths. The application is unique in that the unknowns (i.e., total columnar ozone and aerosol optical depth) may be solved for directly without employing standard inversion methods. It is shown, however, that by employing inversion constraints, better solutions are normally obtained. The current method requires radiometric measurements of total optical depth through the Chappuis ozone band. It assumes no a priori shape for the aerosol optical depth versus wavelength profile and makes no assumptions about the ozone amount. Thus, the method is quite versatile and able to deal with varying total ozone and various aerosol size distributions. The technique is applied first in simulation, then to 119 days of measurements taken in Tucson, Arizona, that are compared to TOMS values for the same dates. The technique is also applied to two measurements taken at Mauna Loa, Hawaii, for which Dobson ozone values are available in addition to the TOMS values, and the results agree to within 15%. It is also shown through simulations that additional information can be obtained from measurements outside the Chappuis band. This approach reduces the bias and spread of the estimates total ozone and is unique in that it uses measurements from both the Chappuis and Huggins absorption bands. 12 refs., 6 figs., 2 tabs.

  8. Measurements and Theoretical Calculations of N2-broadening and N2-shift Coefficients in the v2 band of CH3D

    NASA Technical Reports Server (NTRS)

    Predoi-Cross, A.; Hambrook, Kyle; Brawley-Tremblay, Marco; Bouanich, J. P.; Smith, Mary Ann H.

    2006-01-01

    In this paper, we report measured Lorentz N2-broadening and N2-induced pressure-shift coefficients of CH3D in the v2 fundamental band using a multispectrum fitting technique. These measurements were made by analyzing 11 laboratory absorption spectra recorded at 0.0056 cm(exp -1) resolution using the McMath-Pierce Fourier transform spectrometer located at the National Solar Observatory on Kitt Peak, Arizona. The spectra were obtained using two absorption cells with path lengths of 10.2 and 25 cm. The total sample pressures ranged from 0.98 to 402.25 Torr with CH3D volume mixing ratios of 0.01 in nitrogen. We have been able to determine the N2 pressure- broadening coefficients of 368 v2 transitions with quantum numbers as high as J"= 20 and K = 16, where K" = K' equivalent to K (for a parallel band). The measured N2-broadening coefficients range from 0.0248 to 0.0742 cm(exp -1) atm(exp -1) at 296 K. All the measured pressure-shifts are negative. The reported N2-induced pressure-shift coefficients vary from about 0.0003 to 0.0094 cm(exp -1) atm(exp -1). We have examined the dependence of the measured broadening and shift parameters on the J", and K quantum numbers and also developed empirical expressions to describe the broadening coefficients in terms of m (m = -J", J", and J" + 1 in the (sup Q)P-, (sup Q)Q-, and (sup Q)R-branch, respectively) and K. On average, the empirical expressions reproduce the measured broadening coefficients to within 4.7%. The N2-broadening and pressureshift coefficients were calculated on the basis of a semiclassical model of interacting linear molecules performed by considering in addition to the electrostatic contributions the atom atom Lennard-Jones potential. The theoretical results of the broadening coefficients are in good overall agreement with the experimental data (8.7%). The N2-pressure shifts whose vibrational contribution is derived from parameters fitted in the (sup Q)Q-branch of self-induced shifts of CH3D, are also in

  9. [Gastric cancer detection using kubelka-Munk spectral function of DNA and protein absorption bands].

    PubMed

    Li, Lan-quan; Wei, Hua-jiang; Guo, Zhou-yi; Yang, Hong-qin; Xie, Shu-sen; Chen, Xue-mei; Li, Li-bo; He, Bol-hua; Wu, Guo-yong; Lu, Jian-jun

    2009-09-01

    Differential diagnosis for epithelial tissues of normal human gastric, undifferentiation gastric adenocarcinoma, gastric squamous cell carcinomas, and poorly differentiated gastric adenocarcinoma were studied using the Kubelka-Munk spectral function of the DNA and protein absorption bands at 260 and 280 nm in vitro. Diffuse reflectance spectra of tissue were measured using a spectrophotometer with an integrating sphere attachment. The results of measurement showed that for the spectral range from 250 to 650 nm, pathological changes of gastric epithelial tissues induced that there were significant differences in the averaged value of the Kubelka-Munk function f(r infinity) and logarithmic Kubelka-Munk function log[f(r infinity)] of the DNA absorption bands at 260 nm between epithelial tissues of normal human stomach and human undifferentiation gastric cancer, between epithelial tissues of normal human stomach and human gastric squamous cell carcinomas, and between epithelial tissues of normal human stomach and human poorly differentiated cancer. Their differences were 68.5% (p < 0.05), 146.5% (p < 0.05), 282.4% (p < 0.05), 32.4% (p < 0.05), 56.00 (p < 0.05) and 83.0% (p < 0.05) respectively. And pathological changes of gastric epithelial tissues induced that there were significant differences in the averaged value of the Kubelka-Munk function f(r infinity) and logarithmic Kubelka-Munk function log[f(r infinity)] of the protein absorption bands at 280 nm between epithelial tissues of normal human stomach and human undifferentiation gastric cancer, between epithelial tissues of normal human stomach and human gastric squamous cell carcinomas, and between epithelial tissues of normal human stomach and human poorly differentiated cancer. Their differences were 86.8% (p < 0.05), 262.9% (p < 0.05), 660.1% (p < 0.05) and 34% (p < 0.05), 72. 2% (p < 0.05), 113.5% (p < 0.05) respectively. And pathological changes of gastric epithelial tissues induced that there were

  10. Direct Observation of Two-Step Photon Absorption in an InAs/GaAs Single Quantum Dot for the Operation of Intermediate-Band Solar Cells.

    PubMed

    Nozawa, Tomohiro; Takagi, Hiroyuki; Watanabe, Katsuyuki; Arakawa, Yasuhiko

    2015-07-08

    We present the first direct observation of two-step photon absorption in an InAs/GaAs single quantum dot (QD) using photocurrent spectroscopy with two lasers. The sharp peaks of the photocurrent are shifted due to the quantum confined Stark effect, indicating that the photocurrent from a single QD is obtained. In addition, the intensity of the peaks depends on the power of the secondary laser. These results reveal the direct demonstration of the two-step photon absorption in a single QD. This is an essential result for both the fundamental operation and the realization of ultrahigh solar-electricity energy conversion in quantum dot intermediate-band solar cells.

  11. VARIABILITY OF WATER AND OXYGEN ABSORPTION BANDS IN THE DISK-INTEGRATED SPECTRA OF EARTH

    SciTech Connect

    Fujii, Yuka; Suto, Yasushi; Turner, Edwin L.

    2013-03-10

    We study the variability of major atmospheric absorption features in the disk-integrated spectra of Earth with future application to Earth-analogs in mind, concentrating on the diurnal timescale. We first analyze observations of Earth provided by the EPOXI mission, and find 5%-20% fractional variation of the absorption depths of H{sub 2}O and O{sub 2} bands, two molecules that have major signatures in the observed range. From a correlation analysis with the cloud map data from the Earth Observing Satellite (EOS), we find that their variation pattern is primarily due to the uneven cloud cover distribution. In order to account for the observed variation quantitatively, we consider a simple opaque cloud model, which assumes that the clouds totally block the spectral influence of the atmosphere below the cloud layer, equivalent to assuming that the incident light is completely scattered at the cloud top level. The model is reasonably successful, and reproduces the EPOXI data from the pixel-level EOS cloud/water vapor data. A difference in the diurnal variability patterns of H{sub 2}O and O{sub 2} bands is ascribed to the differing vertical and horizontal distribution of those molecular species in the atmosphere. On Earth, the inhomogeneous distribution of atmospheric water vapor is due to the existence of its exchange with liquid and solid phases of H{sub 2}O on the planet's surface on a timescale short compared with atmospheric mixing times. If such differences in variability patterns were detected in spectra of Earth-analogs, it would provide the information on the inhomogeneous composition of their atmospheres.

  12. Geometrical attenuation, frequency dependence of Q, and the absorption band problem

    NASA Astrophysics Data System (ADS)

    Morozov, Igor B.

    2008-10-01

    A geometrical attenuation model is proposed as an alternative to the conventional frequency-dependent attenuation law Q(f) = Q0(f/f0)η. The new model provides a straightforward differentiation between the geometrical and effective attenuation (Qe) which incorporates the intrinsic attenuation and small-scale scattering. Unlike the (Q0, η) description, the inversion procedure uses only the spectral amplitude data and does not rely on elaborate theoretical models or restrictive assumptions. Data from over 40 reported studies were transformed to the new parametrization. The levels of geometrical attenuation strongly correlate with crustal tectonic types and decrease with tectonic age. The corrected values of Qe are frequency-independent and generally significantly higher than Q0 and show no significant correlation with tectonic age. Several case studies were revisited in detail, with significant changes in the interpretations. The absorption-band and the `10-Hz transition' are not found in the corrected Qe data, and therefore, these phenomena are interpreted as related to geometrical attenuation. The absorption band could correspond to changes in the dominant mode content of the wavefield as the frequency changes from about 0.1 to 100 Hz. Alternatively, it could also be a pure artefact related to the power-law Q(f) paradigm above. The explicit separation of the geometrical and intrinsic attenuation achieves three goals: (1) it provides an unambiguous, assumption- and model-free description of attenuation, (2) it allows relating the observations to the basic physics and geology and (3) it simplifies the interpretation because of reduced emphasis on the apparent Q(f) dependence. The model also agrees remarkably well with the initial attempts for finite-difference short-period coda waveform modelling. Because of its consistency and direct link to the observations, the approach should also help in building robust and transportable coda magnitudes and in seismic

  13. A shift from prospective to reactive modulation of beta-band oscillations in Parkinson's disease.

    PubMed

    te Woerd, Erik S; Oostenveld, Robert; de Lange, Floris P; Praamstra, Peter

    2014-10-15

    Increased beta (13-30 Hz) oscillatory synchrony in basal ganglia-cortical circuits is a physiological characteristic of Parkinson's disease (PD). While the function of the beta rhythm is unknown, there is evidence that its modulation serves a predictive role, in preparation of future actions. We investigate the relation between predictive beta modulation and entrainment of brain oscillations in a task inviting behavioral entrainment by a regular task structure. MEG was recorded during a serial choice response task, in a group of 12 PD patients and 12 control subjects. In one condition, the reaction stimuli allowed for temporal preparation only (random condition), while in a second condition (predictable condition) the reaction stimuli allowed both temporal and effector preparation. Reaction times were identical between groups, and both groups benefited equally from the known effector side in the predictable condition. Analysis of oscillatory activity, by contrast, revealed marked differences between groups. In patients, the proportion of preparatory beta power desynchronization preceding the reaction stimuli was significantly smaller than in controls, while the proportion of beta desynchronization following the events was larger. In addition to this shift from prospective to reactive modulation of beta-band oscillations, patients showed a trend to reduced motor cortical pre-stimulus delta phase synchronization, and later gamma power synchronization than controls. Delta phase synchronization was, furthermore, significantly correlated with predictive beta desynchronization, supporting the relevance of hierarchical coupling between oscillations of different frequencies for the analysis of oscillatory changes in PD. Together, these features of task-related oscillatory activity indicate that entrainment fails to engender the same predictive mode of motor activation in PD patients as in healthy controls.

  14. Chemical shifts of K-X-ray absorption edges on copper in different compounds by X-ray absorption spectroscopy (XAS) with Synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Joseph, D.; Basu, S.; Jha, S. N.; Bhattacharyya, D.

    2012-03-01

    Cu K X-ray absorption edges were measured in compounds such as CuO, Cu(CH3CO2)2, Cu(CO3)2, and CuSO4 where Cu is present in oxidation state of 2+, using the energy dispersive EXAFS beamline at INDUS-2 Synchrotron radiation source at RRCAT, Indore. Energy shifts of ˜4-7 eV were observed for Cu K X-ray absorption edge in the above compounds compared to its value in elemental copper. The difference in the Cu K edge energy shifts in the different compounds having same oxidation state of Cu shows the effect of different chemical environments surrounding the cation in the above compounds. The above chemical effect has been quantitatively described by determining the effective charges on Cu cations in the above compounds.

  15. Measurements of air-broadened and nitrogen-broadened Lorentz width coefficients and pressure shift coefficients in the nu4 and nu2 bands of C-12H4

    NASA Technical Reports Server (NTRS)

    Rinsland, Curtis P.; Smith, Mary Ann H.; Devi, V. Malathy; Benner, D. Chris

    1988-01-01

    Air-broadened and N2-broadened halfwidth and pressure shift coefficients of 294 transitions in the nu4 and nu2 bands of C-12H4 have been measured from laboratory absorption spectra recorded at room temperature with the Fourier transform spectrometer in the McMath solar telescope facility of the National Solar Observatory. Total pressures of up to 551 Torr were employed with absorption paths of 5-150 cm, CH4 volume mixing ratios of 2.6 percent or less, and resolutions of 0.005 and 0.01/cm. A nonlinear least-squares spectral fitting technique has been utilized in the analysis of the twenty-five measured spectra. Lines up to J double-prime = 18 in the nu4 band and J double-prime = 15 in the nu2 band have been analyzed.

  16. Air- and Self-Broadened Half Widths, Pressure-Induced Shifts, and Line Mixing in the Nu(sub 2) Band of (12)CH4

    NASA Technical Reports Server (NTRS)

    Smith, M. A. H.; Benner, D. Chris; Pedroi-Cross, A.; Devi, V. Malathy

    2013-01-01

    Lorentz self- and air-broadened half width and pressure-induced shift coefficients and their dependences on temperature have been measured from laboratory absorption spectra for nearly 130 transitions in the nu(sub 2) band of (12)CH4. In addition line mixing coefficients (using the relaxation matrix element formalism) for both self- and airbroadening were experimentally determined for the first time for a small number of transitions in this band. Accurate line positions and absolute line intensities were also determined. These parameters were obtained by analyzing high-resolution (approx. 0.003 to 0.01 per cm) laboratory spectra of high-purity natural CH4 and air-broadened CH4 recorded at temperatures between 226 and 297 K using the McMath-Pierce Fourier transform spectrometer (FTS) located at the National Solar Observatory on Kitt Peak, Arizona. A multispectrum nonlinear least squares technique was used to fit short (5-15 per cm) spectral intervals in 24-29 spectra simultaneously. Parameters were determined for nu(sub 2) transitions up to J" = 16. The variations of the measured broadening and shift parameters with the rotational quantum number index and tetrahedral symmetry species are examined. The present results are also compared with previous measurements available in the literature.

  17. Band gap reduction in InNxSb1-x alloys: Optical absorption, k . P modeling, and density functional theory

    NASA Astrophysics Data System (ADS)

    Linhart, W. M.; Rajpalke, M. K.; Buckeridge, J.; Murgatroyd, P. A. E.; Bomphrey, J. J.; Alaria, J.; Catlow, C. R. A.; Scanlon, D. O.; Ashwin, M. J.; Veal, T. D.

    2016-09-01

    Using infrared absorption, the room temperature band gap of InSb is found to reduce from 174 (7.1 μm) to 85 meV (14.6 μm) upon incorporation of up to 1.13% N, a reduction of ˜79 meV/%N. The experimentally observed band gap reduction in molecular-beam epitaxial InNSb thin films is reproduced by a five band k . P band anticrossing model incorporating a nitrogen level, EN, 0.75 eV above the valence band maximum of the host InSb and an interaction coupling matrix element between the host conduction band and the N level of β = 1.80 eV. This observation is consistent with the presented results from hybrid density functional theory.

  18. Self-absorption theory applied to rocket measurements of the nitric oxide (1, 0) gamma band in the daytime thermosphere

    NASA Technical Reports Server (NTRS)

    Eparvier, F. G.; Barth, C. A.

    1992-01-01

    Observations of the UV fluorescent emissions of the NO (1, 0) and (0, 1) gamma bands in the lower-thermospheric dayglow, made with a sounding rocket launched on March 7, 1989 from Poker Flat, Alaska, were analyzed. The resonant (1, 0) gamma band was found to be attenuated below an altitude of about 120 km. A self-absorption model based on Holstein transmission functions was developed for the resonant (1, 0) gamma band under varying conditions of slant column density and temperature and was applied for the conditions of the rocket flight. The results of the model agreed with the measured attenuation of the band, indicating the necessity of including self-absorption theory in the analysis of satellite and rocket limb data of NO.

  19. Absorption band oscillator strengths of N2 transitions between 95.8 and 99.4 nm

    NASA Technical Reports Server (NTRS)

    Stark, G.; Smith, Peter L.; Huber, K. P.; Yoshino, K.; Stevens, M. H.; Ito, K.

    1992-01-01

    Molecular nitrogen plays a central role in the energetics of the earth's upper atmosphere and is the major constituent of the atmospheres of the planetary satellites Titan and Triton. This paper reports a new set of absorption oscillator strengths measured at higher resolution for seven bands in the 95.8-99.4 nm region. The results are compared with earlier, lower resolution absorption measurements, electron scattering measurements, and calculations based on a deperturbation analysis of the excited states.

  20. TEMPORAL SPECTRAL SHIFT AND POLARIZATION OF A BAND-SPLITTING SOLAR TYPE II RADIO BURST

    SciTech Connect

    Du, Guohui; Chen, Yao; Lv, Maoshui; Kong, Xiangliang; Feng, Shiwei; Guo, Fan; Li, Gang

    2014-10-01

    In many type II solar radio bursts, the fundamental and/or the harmonic branches of the bursts can split into two almost parallel bands with similar spectral shapes and frequency drifts. However, the mechanisms accounting for this intriguing phenomenon remain elusive. In this study, we report a special band-splitting type II event in which spectral features appear systematically earlier on the upper band (with higher frequencies) than on the lower band (with lower frequencies) by several seconds. Furthermore, the emissions carried by the splitting band are moderately polarized with the left-hand polarized signals stronger than the right-hand ones. The polarization degree varies in a range of –0.3 to –0.6. These novel observational findings provide important constraints on the underlying physical mechanisms of band-splitting of type II radio bursts.

  1. Measurements of argon broadened Lorentz width and pressure-induced line shift coefficients in the nu4 band of (C-12)H4

    NASA Technical Reports Server (NTRS)

    Rinsland, Curtis P.; Smith, Mary Ann H.; Devi, V. Malathy; Benner, D. Chris

    1989-01-01

    Room temperature argon broadened halfwidth and pressure-induced line shift coefficients have been determined for 118 transitions in the nu4 band of (C-12)H4 from analysis of high resolution laboratory absorption spectra recorded with the McMath Fourier transform spectrometer operated on Kitt Peak by the National Solar Observatory. Transitions up to J-double-prime = 12 have been measured using a nonlinear least-squares spectral fitting procedure. The variation of the measured halfwidth coefficients with symmetry type and rotational quantum number is very similar to that measured previously for N2 and air broadening, but the absolute values of the argon broadening coefficients are all smaller. On average, the ratio of the argon broadened halfwidth coefficient to the corresponding N2 broadened halfwidth coefficient is 0.877 + or - 0.017 (2 Sigma). More than 95 percent of the pressure-induced shifts are negative with values ranging from -0.0081 to +0.0055/cm atm. The pressure shifts in argon are nearly equal to corresponding values measured previously in N2 and air.

  2. Oscillatory Alpha-Band Suppression Mechanisms during the Rapid Attentional Shifts Required to Perform an Anti-Saccade Task

    PubMed Central

    Belyusar, Daniel; Snyder, Adam C.; Frey, Hans-Peter; Harwood, Mark R.; Wallman, Josh; Foxe, John J.

    2015-01-01

    Neuroimaging has demonstrated anatomical overlap between covert and overt attention systems, although behavioral and electrophysiological studies have suggested that the two systems do not rely on entirely identical circuits or mechanisms. In a parallel line of research, topographically-specific modulations of alpha-band power (~8-14Hz) have been consistently correlated with anticipatory states during tasks requiring covert attention shifts. These tasks, however, typically employ cue-target-interval paradigms where attentional processes are examined across relatively protracted periods of time and not at the rapid timescales implicated during overt attention tasks. The anti-saccade task, where one must first covertly attend for a peripheral target, before executing a rapid overt attention shift (i.e. a saccade) to the opposite side of space, is particularly well-suited for examining the rapid dynamics of overt attentional deployments. Here, we asked whether alpha-band oscillatory mechanisms would also be associated with these very rapid overt shifts, potentially representing a common neural mechanism across overt and covert attention systems. High-density electroencephalography in conjunction with infra-red eye-tracking was recorded while participants engaged in both pro- and anti- saccade task blocks. Alpha power, time-locked to saccade onset, showed three distinct phases of significantly lateralized topographic shifts, all occurring within a period of less than one second, closely reflecting the temporal dynamics of anti-saccade performance. Only two such phases were observed during the pro-saccade task. These data point to substantially more rapid temporal dynamics of alpha-band suppressive mechanisms than previously established, and implicate oscillatory alpha-band activity as a common mechanism across both overt and covert attentional deployments. PMID:23041338

  3. Dual-band microwave absorption properties of metamaterial absorber composed of split ring resonator on carbonyl iron powder composites

    NASA Astrophysics Data System (ADS)

    Lim, Jun-Hee; Ryu, Yo-Han; Kim, Sung-Soo

    2015-05-01

    This study investigated the dual-band absorption properties of metamaterial absorbers composed of a split ring resonator (SRR) on a grounded magnetic substrate. Polymer composites of carbonyl iron powders (CIP) of high permeability and magnetic loss were used as the substrate material. Computational tools were used to model the interaction between electromagnetic waves and materials with the SRR structure. For perpendicular polarization with an electric field (E) perpendicular to the SRR gap, dualband absorption peaks are predicted in the simulation result of reflection loss. Magnetic resonance resulting from antiparallel currents between the SRR and the ground plane is observed at the frequencies of two absorption peaks. The first strong absorption peak at the lower frequency (3.3 GHz) is due to magnetic resonance at the wire part of the SRR. The second absorption peak at the higher frequency (7.2 GHz) is due to magnetic resonance at the SRR split gap. The decreased capacitance with increased gap spacing moves the second absorption frequency to higher frequencies, while the first absorption peak is invariant with gap spacing. In the case of dual gaps at the opposite sides of the SRR, a single absorption peak is predicted due to the elimination of low-frequency resonance. For parallel polarization with the E-field parallel to the SRR gap, a single absorption peak is predicted, corresponding to magnetic resonance at the SRR wire.[Figure not available: see fulltext.

  4. New Insights on the Burstein-Moss Shift and Band Gap Narrowing in Indium-Doped Zinc Oxide Thin Films.

    PubMed

    Saw, K G; Aznan, N M; Yam, F K; Ng, S S; Pung, S Y

    2015-01-01

    The Burstein-Moss shift and band gap narrowing of sputtered indium-doped zinc oxide (IZO) thin films are investigated as a function of carrier concentrations. The optical band gap shifts below the carrier concentration of 5.61 × 1019 cm-3 are well-described by the Burstein-Moss model. For carrier concentrations higher than 8.71 × 1019 cm-3 the shift decreases, indicating that band gap narrowing mechanisms are increasingly significant and are competing with the Burstein-Moss effect. The incorporation of In causes the resistivity to decrease three orders of magnitude. As the mean-free path of carriers is less than the crystallite size, the resistivity is probably affected by ionized impurities as well as defect scattering mechanisms, but not grain boundary scattering. The c lattice constant as well as film stress is observed to increase in stages with increasing carrier concentration. The asymmetric XPS Zn 2p3/2 peak in the film with the highest carrier concentration of 7.02 × 1020 cm-3 suggests the presence of stacking defects in the ZnO lattice. The Raman peak at 274 cm-1 is attributed to lattice defects introduced by In dopants.

  5. New Insights on the Burstein-Moss Shift and Band Gap Narrowing in Indium-Doped Zinc Oxide Thin Films

    PubMed Central

    Saw, K. G.; Aznan, N. M.; Yam, F. K.; Ng, S. S.; Pung, S. Y.

    2015-01-01

    The Burstein-Moss shift and band gap narrowing of sputtered indium-doped zinc oxide (IZO) thin films are investigated as a function of carrier concentrations. The optical band gap shifts below the carrier concentration of 5.61 × 1019 cm-3 are well-described by the Burstein-Moss model. For carrier concentrations higher than 8.71 × 1019 cm-3 the shift decreases, indicating that band gap narrowing mechanisms are increasingly significant and are competing with the Burstein-Moss effect. The incorporation of In causes the resistivity to decrease three orders of magnitude. As the mean-free path of carriers is less than the crystallite size, the resistivity is probably affected by ionized impurities as well as defect scattering mechanisms, but not grain boundary scattering. The c lattice constant as well as film stress is observed to increase in stages with increasing carrier concentration. The asymmetric XPS Zn 2p3/2 peak in the film with the highest carrier concentration of 7.02 × 1020 cm-3 suggests the presence of stacking defects in the ZnO lattice. The Raman peak at 274 cm-1 is attributed to lattice defects introduced by In dopants. PMID:26517364

  6. Proposal of high efficiency solar cells with closely stacked InAs/In{sub 0.48}Ga{sub 0.52}P quantum dot superlattices: Analysis of polarized absorption characteristics via intermediate–band

    SciTech Connect

    Yoshikawa, H. Kotani, T.; Kuzumoto, Y.; Izumi, M.; Tomomura, Y.; Hamaguchi, C.

    2014-07-07

    We present a theoretical study of the electronic structures and polarized absorption properties of quantum dot superlattices (QDSLs) using wide–gap matrix material, InAs/In{sub 0.48}Ga{sub 0.52}P QDSLs, for realizing intermediate–band solar cells (IBSCs) with two–step photon–absorption. The plane–wave expanded Burt–Foreman operator ordered 8–band k·p theory is used for this calculation, where strain effect and piezoelectric effect are taken into account. We find that the absorption spectra of the second transitions of two–step photon–absorption can be shifted to higher energy region by using In{sub 0.48}Ga{sub 0.52}P, which is lattice–matched material to GaAs substrate, as a matrix material instead of GaAs. We also find that the transverse magnetic polarized absorption spectra in InAs/In{sub 0.48}Ga{sub 0.52}P QDSL with a separate IB from the rest of the conduction minibands can be shifted to higher energy region by decreasing the QD height. As a result, the second transitions of two–step photon–absorption by the sunlight occur efficiently. These results indicate that InAs/In{sub 0.48}Ga{sub 0.52}P QDSLs are suitable material combination of IBSCs toward the realization of ultrahigh efficiency solar cells.

  7. Proposal of high efficiency solar cells with closely stacked InAs/In0.48Ga0.52P quantum dot superlattices: Analysis of polarized absorption characteristics via intermediate-band

    NASA Astrophysics Data System (ADS)

    Yoshikawa, H.; Kotani, T.; Kuzumoto, Y.; Izumi, M.; Tomomura, Y.; Hamaguchi, C.

    2014-07-01

    We present a theoretical study of the electronic structures and polarized absorption properties of quantum dot superlattices (QDSLs) using wide-gap matrix material, InAs/In0.48Ga0.52P QDSLs, for realizing intermediate-band solar cells (IBSCs) with two-step photon-absorption. The plane-wave expanded Burt-Foreman operator ordered 8-band k . p theory is used for this calculation, where strain effect and piezoelectric effect are taken into account. We find that the absorption spectra of the second transitions of two-step photon-absorption can be shifted to higher energy region by using In0.48Ga0.52P, which is lattice-matched material to GaAs substrate, as a matrix material instead of GaAs. We also find that the transverse magnetic polarized absorption spectra in InAs/In0.48Ga0.52P QDSL with a separate IB from the rest of the conduction minibands can be shifted to higher energy region by decreasing the QD height. As a result, the second transitions of two-step photon-absorption by the sunlight occur efficiently. These results indicate that InAs/In0.48Ga0.52P QDSLs are suitable material combination of IBSCs toward the realization of ultrahigh efficiency solar cells.

  8. Insight into strain effects on band alignment shifts, carrier localization and recombination kinetics in CdTe/CdS core/shell quantum dots.

    PubMed

    Jing, Lihong; Kershaw, Stephen V; Kipp, Tobias; Kalytchuk, Sergii; Ding, Ke; Zeng, Jianfeng; Jiao, Mingxia; Sun, Xiaoyu; Mews, Alf; Rogach, Andrey L; Gao, Mingyuan

    2015-02-11

    The impact of strain on the optical properties of semiconductor quantum dots (QDs) is fundamentally important while still awaiting detailed investigation. CdTe/CdS core/shell QDs represent a typical strained system due to the substantial lattice mismatch between CdTe and CdS. To probe the strain-related effects, aqueous CdTe/CdS QDs were synthesized by coating different sized CdTe QD cores with CdS shells upon the thermal decomposition of glutathione as a sulfur source under reflux. The shell growth was carefully monitored by both steady-state absorption and fluorescence spectroscopy and transient fluorescence spectroscopy. In combination with structural analysis, the band alignments as a consequence of the strain were modified based on band deformation potential theory. By further taking account of these strain-induced band shifts, the effective mass approximation (EMA) model was modified to simulate the electronic structure, carrier spatial localization, and electron-hole wave function overlap for comparing with experimentally derived results. In particular, the electron/hole eigen energies were predicted for a range of structures with different CdTe core sizes and different CdS shell thicknesses. The overlap of electron and hole wave functions was further simulated to reveal the impact of strain on the electron-hole recombination kinetics as the electron wave function progressively shifts into the CdS shell region while the hole wave function remains heavily localized in CdTe core upon the shell growth. The excellent agreement between the strain-modified EMA model with the experimental data suggests that strain exhibits remarkable effects on the optical properties of mismatched core/shell QDs by altering the electronic structure of the system.

  9. Large temperature-induced red shift of G-band of functionalized graphene nanosheets synthesized from humic acid

    NASA Astrophysics Data System (ADS)

    Duraia, El-shazly M.; Beall, Gary W.

    2016-10-01

    For the first time, temperature dependence of the G-band frequency for the functionalized graphene nanosheets synthesized using humic acid as precursor has been investigated. The Raman measurements has been performed using the excitation wavelength 514.5 nm and in the temperature range 23-116 °C. The prepared samples showed a negative temperature coefficient as large as -0.087 ± 0.008 cm-1/°C. Relatively large red shift of the G-band has been observed as the substrate temperature increases which indicates the higher sensitivity of the G-band peak position when the temperature varies. Such behavior has been attributed to the large contribution of the thermal expansion due to the lower Young's modulus of the reduced humic acid. This finding is important and opens the door for new applications of reduced humic acid as low cost, environmentally friendly and scalable material.

  10. Stratospheric observations of the attenuated solar irradiance in the Schumann-Runge band absorption region of molecular oxygen

    NASA Technical Reports Server (NTRS)

    Frederick, J. E.; Hudson, R. D.; Mentall, J. E.

    1981-01-01

    A spectrometer flown on the first Solar Absorption Balloon Experiment (SABE-1) observed the attenuated solar irradiance between 184 and 202 nm from an altitude near 40 km. These measurements provide a check on the absorption cross sections of molecular oxygen in the spectral region of the Schumann-Runge bands. Comparison of the measurements with calculations based on cross sections derived from laboratory data shows a general agreement although the irradiance measurements have large error bars near the centers of the absorption bands. The results imply that the 184-200 nm solar irradiance that penetrates to the stratosphere can be computed to an accuracy of + or - 30% or better by using presently available cross sections.

  11. Synthesis and photocatalytic activity of perovskite niobium oxynitrides with wide visible-light absorption bands.

    PubMed

    Siritanaratkul, Bhavin; Maeda, Kazuhiko; Hisatomi, Takashi; Domen, Kazunari

    2011-01-17

    Photocatalytic activities of perovskite-type niobium oxynitrides (CaNbO₂N, SrNbO₂N, BaNbO₂N, and LaNbON₂) were examined for hydrogen and oxygen evolution from water under visible-light irradiation. These niobium oxynitrides were prepared by heating the corresponding oxide precursors, which were synthesized using the polymerized complex method, for 15 h under a flow of ammonia. They possess visible-light absorption bands between 600-750 nm, depending on the A-site cations in the structures. The oxynitride CaNbO₂N, was found to be active for hydrogen and oxygen evolution from methanol and aqueous AgNO₃, respectively, even under irradiation by light at long wavelengths (λ<560 nm). The nitridation temperature dependence of CaNbO₂N was investigated and 1023 K was found to be the optimal temperature. At lower temperatures, the oxynitride phase is not adequately produced, whereas higher temperatures produce more reduced niobium species (e. g., Nb³(+) and Nb⁴(+)), which can act as electron-hole recombination centers, resulting in a decrease in activity.

  12. Microwave absorption behavior of a polyaniline magnetic composite in the X-band

    NASA Astrophysics Data System (ADS)

    Aphesteguy, J. C.; Damiani, A.; DiGiovanni, D.; Jacobo, S. E.

    2012-08-01

    The development of nanosized materials is a subject of considerable interest both for understanding of the fundamental properties of magnetic materials for new technological applications. Polyaniline, composites Fe3O4/(PANI) with conducting, magnetic and electromagnetic properties with different amounts of Fe3O4 were successfully prepared. The samples were structurally characterized by scanning electron microscopy (SEM), X-ray diffraction and transmission electron microscopy (TEM) and magnetically, with a superconducting quantum interference device (SQUID) magnetometer. In order to explore microwave-absorbing properties in X-band, the composite nanoparticles were mixed with an epoxy resin to be converted into a microwave-absorbing composite. Microwave behavior with different Fe3O4/(PANI)-epoxy resin ratio was studied using a microwave vector network analyzer (VNA) in the range 7.5 to 13 GHz. For a constant thickness of 1.5 mm, absorption increases with the magnetite contents in the composites and in the oriented samples by the application of a magnetic field.

  13. High resolution absorption cross-sections and band oscillator strengths of the Schumann-Runge bands of oxygen at 79 K

    NASA Technical Reports Server (NTRS)

    Yoshino, K.; Freeman, D. E.; Esmond, J. R.; Parkinson, W. H.

    1987-01-01

    Cross sections of O2 at 79 K have been obtained from photoabsorption measurements at various pressures throughout the wavelength region 179.3-198.0 nm with a 6.65-m photoelectric scanning spectrometer equipped with a 2400-lines/mm grating and having an instrumental width (FWHM) of 0.0013 nm. The measured absorption cross sections of the Schumann-Runge bands (12,0) through (2,0) are independent of the instrumental width. The measured cross-sections are presented graphically here and are available at wavenumber intervals of about 0.1/cm as numerical compilations stored on magnetic tape from the National Space Science Data Center, NASA/Goddard. Band oscillator strengths of these bands have been determined by direct numerical integration of the measured cross sections.

  14. The red-shift of surface plasmon absorption of 2D nanogold arrangement from disordered to ordered.

    PubMed

    Tang, Junke; Li, Jinru; Rong, Huiling; Zou, Bingsuo; Jiang, Long

    2008-01-01

    In this article, the changing of surface plasmon resonance (SPR) absorption of 2D arrangement of Au (3 nm) nanoparticles coated with 1-dodecanethiol (C12H25SH), obtained at different desolvation extents, had been investigated. It has been found that an obvious red-shifted happened when these arrays changed from loose, disordered to close-packed and ordered. Both transmission electron microscopy pictures and variation of SPR absorption of these arrays showed that the formation of long range two-dimension (2D) arrangement of nanoparticles coated with C12H25SH might be involved in two stages: At the first stage the particles can move freely and random patterns from loose to close package was driven by the Brownian Movement of solvated particles and as a result the voids were eliminated. The red shift of SPR absorption with the coverage (d lamda/d theta) is relative low. At the second stage, where the particles cannot move freely because of lack of solvent and a long-range two-dimension crystal was formed, the SPR shift to a longer wavelength with a larger d lamda/d theta. It is mainly attributed to the strong increase of the orientation and dipolar moment of the absorbed C12H25SH molecule on nanoparticles.

  15. Broadband tunable Raman soliton self-frequency shift to mid-infrared band in a highly birefringent microstructure fiber

    NASA Astrophysics Data System (ADS)

    Wei, Wang; Xin-Ying, Bi; Jun-Qi, Wang; Yu-Wei, Qu; Ying, Han; Gui-Yao, Zhou; Yue-Feng, Qi

    2016-07-01

    Raman soliton self-frequency shifted to mid-infrared band (λ > 2 μm) has been achieved in an air-silica microstructure fiber (MF). The MF used in our experiment has an elliptical core with diameters of 1.08 and 2.48 μm for fast and slow axis. Numerical simulation shows that each fundamental orthogonal polarization mode has two wide-spaced λ ZDW and the λ ZDW pairs located at 701/2110 nm and 755/2498 nm along the fast and slow axis, respectively. Using 810-nm Ti:sapphire femtosecond laser as pump, when the output power varies from 0.3 to 0.5 W, the furthest red-shift Raman solitons in both fast and slow axis shift from near-infrared band to mid-infrared band, reaching as far as 2030 and 2261 nm. Also, mid-infrared Raman solitons can always be generated for pump wavelength longer than 790 nm if output pump power reaches 0.5 W. Specifically, with pump power at 0.5 W, the mid-infrared soliton in slow axis shifts from 2001 to 2261 nm when the pump changes from 790 nm to 810 nm. This means only a 20 nm change of pump results in 260 nm tunability of a mid-infrared soliton. Project supported by the National Natural Science Foundation of China (Grant Nos. 61405172, 61405173, and 61275093), the Natural Science Foundation of Hebei Province, China (Grant No. F2014203194), the College Science Research Program of Hebei Province, China (Grant No. QN20131044), and the Program of Independent Research for the Young Teachers of Yanshan University of China (Grant No. 13LGB017).

  16. Airborne imaging spectrometer data of the Ruby Mountains, Montana: Mineral discrimination using relative absorption band-depth images

    USGS Publications Warehouse

    Crowley, J.K.; Brickey, D.W.; Rowan, L.C.

    1989-01-01

    Airborne imaging spectrometer data collected in the near-infrared (1.2-2.4 ??m) wavelength range were used to study the spectral expression of metamorphic minerals and rocks in the Ruby Mountains of southwestern Montana. The data were analyzed by using a new data enhancement procedure-the construction of relative absorption band-depth (RBD) images. RBD images, like bandratio images, are designed to detect diagnostic mineral absorption features, while minimizing reflectance variations related to topographic slope and albedo differences. To produce an RBD image, several data channels near an absorption band shoulder are summed and then divided by the sum of several channels located near the band minimum. RBD images are both highly specific and sensitive to the presence of particular mineral absorption features. Further, the technique does not distort or subdue spectral features as sometimes occurs when using other data normalization methods. By using RBD images, a number of rock and soil units were distinguished in the Ruby Mountains including weathered quartz - feldspar pegmatites, marbles of several compositions, and soils developed over poorly exposed mica schists. The RBD technique is especially well suited for detecting weak near-infrared spectral features produced by soils, which may permit improved mapping of subtle lithologic and structural details in semiarid terrains. The observation of soils rich in talc, an important industrial commodity in the study area, also indicates that RBD images may be useful for mineral exploration. ?? 1989.

  17. Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams

    SciTech Connect

    Keim, E.R.; Polak, M.L.; Owrutsky, J.C.; Coe, J.V.; Saykally, R.J. )

    1990-09-01

    The technique of direct laser absorption spectroscopy in fast ion beams has been employed for the determination of absolute integrated band intensities ({ital S}{sup 0}{sub {ital v}}) for the {nu}{sub 3} fundamental bands of H{sub 3}O{sup +} and NH{sup +}{sub 4}. In addition, the absolute band intensities for the {nu}{sub 1} fundamental bands of HN{sup +}{sub 2} and HCO{sup +} have been remeasured. The values obtained in units of cm{sup {minus}2} atm{sup {minus}1} at STP are 1880(290) and 580(90) for the {nu}{sub 1} fundamentals of HN{sup +}{sub 2} and HCO{sup +}, respectively; and 4000(800) and 1220(190) for the {nu}{sub 3} fundamentals of H{sub 3}O{sup +} and NH{sup +}{sub 4}, respectively. Comparisons with {ital ab} {ital initio} results are presented.

  18. Multispectrum Analysis of 12CH4 in the v4 Band: I. Air-Broadened Half Widths, Pressure-Induced Shifts, Temperature Dependences and Line Mixing

    NASA Technical Reports Server (NTRS)

    Smith, MaryAnn H.; Benner, D. Chris; Predoi-Cross, Adriana; Venkataraman, Malathy Devi

    2009-01-01

    Lorentz air-broadened half widths, pressure-induced shifts and their temperature dependences have been measured for over 430 transitions (allowed and forbidden) in the v4 band of (CH4)-12 over the temperature range 210 to 314 K. A multispectrum non linear least squares fitting technique was used to simultaneously fit a large number of high-resolution (0.006 to 0.01/cm) absorption spectra of pure methane and mixtures of methane diluted with dry air. Line mixing was detected for pairs of A-, E-, and F-species transitions in the P- and R-branch manifolds and quantified using the off-diagonal relaxation matrix elements formalism. The measured parameters are compared to air- and N2-broadened values reported in the literature for the v4 and other bands. The dependence of the various spectral line parameters upon the tetrahedral symmetry species and rotational quantum numbers of the transitions is discussed. All data used in the present work were recorded using the McMath-Pierce Fourier transform spectrometer located at the National Solar Observatory on Kitt Peak.

  19. Mapping atomic and diffuse interstellar band absorption across the Magellanic Clouds and the Milky Way

    NASA Astrophysics Data System (ADS)

    Bailey, Mandy; van Loon, Jacco Th.; Sarre, Peter J.; Beckman, John E.

    2015-12-01

    Diffuse interstellar bands (DIBs) trace warm neutral and weakly ionized diffuse interstellar medium (ISM). Here we present a dedicated, high signal-to-noise spectroscopic survey of two of the strongest DIBs, at 5780 and 5797 Å, in optical spectra of 666 early-type stars in the Small and Large Magellanic Clouds, along with measurements of the atomic Na I D and Ca II K lines. The resulting maps show for the first time the distribution of DIB carriers across large swathes of galaxies, as well as the foreground Milky Way ISM. We confirm the association of the 5797 Å DIB with neutral gas, and the 5780 Å DIB with more translucent gas, generally tracing the star-forming regions within the Magellanic Clouds. Likewise, the Na I D line traces the denser ISM whereas the Ca II K line traces the more diffuse, warmer gas. The Ca II K line has an additional component at ˜200-220 km s-1 seen towards both Magellanic Clouds; this may be associated with a pan-Magellanic halo. Both the atomic lines and DIBs show sub-pc-scale structure in the Galactic foreground absorption; the 5780 and 5797 Å DIBs show very little correlation on these small scales, as do the Ca II K and Na I D lines. This suggests that good correlations between the 5780 and 5797 Å DIBs, or between Ca II K and Na I D, arise from the superposition of multiple interstellar structures. Similarity in behaviour between DIBs and Na I in the Small Magellanic Cloud (SMC), Large Magellanic Cloud (LMC) and Milky Way suggests the abundance of DIB carriers scales in proportion to metallicity.

  20. Are ontogenetic shifts in diet linked to shifts in feeding mechanics? Scaling of the feeding apparatus in the banded watersnake Nerodia fasciata.

    PubMed

    Vincent, Shawn E; Moon, Brad R; Herrel, Anthony; Kley, Nathan J

    2007-06-01

    The effects of size on animal behaviour, ecology, and physiology are widespread. Theoretical models have been developed to predict how animal form, function, and performance should change with increasing size. Yet, numerous animals undergo dramatic shifts in ecology (e.g. habitat use, diet) that may directly influence the functioning and presumably the scaling of the musculoskeletal system. For example, previous studies have shown that banded watersnakes (Nerodia fasciata) switch from fish prey as juveniles to frog prey as adults, and that fish and frogs represent functionally distinct prey types to watersnakes. We therefore tested whether this ontogenetic shift in diet was coupled to changes in the scaling patterns of the cranial musculoskeletal system in an ontogenetic size series (70-600 mm snout-vent length) of banded watersnakes. We found that all cranial bones and gape size exhibited significant negative allometry, whereas the muscle physiological cross-sectional area (pCSAs) scaled either isometrically or with positive allometry against snout-vent length. By contrast, we found that gape size, most cranial bones, and muscle pCSAs exhibited highly significant positive allometry against head length. Furthermore, the mechanical advantage of the jaw-closing lever system remained constant over ontogeny. Overall, these cranial allometries should enable watersnakes to meet the functional requirements of switching from fusiform fish to bulky frog prey. However, recent studies have reported highly similar allometries in a wide diversity of vertebrate taxa, suggesting that positive allometry within the cranial musculoskeletal system may actually be a general characteristic of vertebrates.

  1. The absorption coefficient of the liquid N2 2.15-micron band and application to Triton

    NASA Technical Reports Server (NTRS)

    Grundy, William M.; Fink, Uwe

    1991-01-01

    The present measurements of the temperature dependence exhibited by the liquid N2 2.15-micron 2-0 collision-induced band's absorption coefficient and integrated absorption show the latter to be smaller than that of the N2 gas, and to decrease with decreasing temperature. Extrapolating this behavior to Triton's nominal surface temperature yields a new estimate of the N2-ice grain size on the Triton south polar cap; a mean N2 grain size of 0.7-3.0 cm is consistent with grain growth rate calculation results.

  2. Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?

    PubMed

    Houmøller, Jørgen; Wanko, Marius; Rubio, Angel; Nielsen, Steen Brøndsted

    2015-11-25

    Many photoactive biomolecules are anions and exhibit ππ* optical transitions but with a degree of charge transfer (CT) character determined by the local environment. The phenolate moiety is a common structural motif among biochromophores and luminophores, and nitrophenolates are good model systems because the nitro substituent allows for CT-like transitions. Here we report gas-phase absorption spectra of o- and p-nitrophenolate·H2O complexes to decipher the effect of just one H2O and compare them with ab initio calculations of vertical excitation energies. The experimental band maximum is at 3.01 and 3.00 eV for ortho and para isomers, respectively, and is red-shifted by 0.10 and 0.13 eV relative to the bare ions, respectively. These shifts indicate that the transition has become more CT-like because of localization of negative charge on the phenolate oxygen, i.e., diminished delocalization of the negative excess charge. However, the transition bears less CT than that of m-nitrophenolate·H2O because this complex absorbs further to the red (2.56 eV). Our work emphasizes the importance of local perturbations: one water causes a larger shift than experienced in bulk for para isomer and almost the full shift for ortho isomer. Predicting microenvironmental effects in the boundary between CT and non-CT with high accuracy is nontrivial. However, in agreement with experiment, our calculations show a competition between the effects of electronic delocalization and electrostatic interaction with the solvent molecule. As a result, the excitation energy of ortho and para isomers is less sensitive to hydration than that of the meta isomer because donor and acceptor orbitals are only weakly coupled in the meta isomer.

  3. X-ray absorption and reflection as probes of the GaN conduction bands: Theory and experiments

    SciTech Connect

    Lambrecht, W.R.L.; Rashkeev, S.N.; Segall, B.

    1997-04-01

    X-ray absorption measurements are a well-known probe of the unoccupied states in a material. The same information can be obtained by using glancing angle X-ray reflectivity. In spite of several existing band structure calculations of the group III nitrides and previous optical studies in UV range, a direct probe of their conduction band densities of states is of interest. The authors performed a joint experimental and theoretical investigation using both of these experimental techniques for wurtzite GaN.

  4. Fab MOR03268 triggers absorption shift of a diagnostic dye via packaging in a solvent-shielded Fab dimer interface.

    PubMed

    Hillig, Roman C; Urlinger, Stefanie; Fanghänel, Jörg; Brocks, Bodo; Haenel, Cornelia; Stark, Yvonne; Sülzle, Detlev; Svergun, Dmitri I; Baesler, Siegfried; Malawski, Guido; Moosmayer, Dieter; Menrad, Andreas; Schirner, Michael; Licha, Kai

    2008-03-14

    Molecular interactions between near-IR fluorescent probes and specific antibodies may be exploited to generate novel smart probes for diagnostic imaging. Using a new phage display technology, we developed such antibody Fab fragments with subnanomolar binding affinity for tetrasulfocyanine, a near-IR in vivo imaging agent. Unexpectedly, some Fabs induced redshifts of the dye absorption peak of up to 44 nm. This is the largest shift reported for a biological system so far. Crystal structure determination and absorption spectroscopy in the crystal in combination with microcalorimetry and small-angle X-ray scattering in solution revealed that the redshift is triggered by formation of a Fab dimer, with tetrasulfocyanine being buried in a fully closed protein cavity within the dimer interface. The derived principle of shifting the absorption peak of a symmetric dye via packaging within a Fab dimer interface may be transferred to other diagnostic fluorophores, opening the way towards smart imaging probes that change their wavelength upon interaction with an antibody.

  5. A Blue Spectral Shift of the Hemoglobin Soret Band Correlates with the Age (Time Since Deposition) of Dried Bloodstains

    PubMed Central

    Hanson, Erin K.; Ballantyne, Jack

    2010-01-01

    The ability to determine the time since deposition of a bloodstain found at a crime scene could prove invaluable to law enforcement investigators, defining the time frame in which the individual depositing the evidence was present. Although various methods of accomplishing this have been proposed, none has gained widespread use due to poor time resolution and weak age correlation. We have developed a method for the estimation of the time since deposition (TSD) of dried bloodstains using UV-VIS spectrophotometric analysis of hemoglobin (Hb) that is based upon its characteristic oxidation chemistry. A detailed study of the Hb Soret band (λmax = 412 nm) in aged bloodstains revealed a blue shift (shift to shorter wavelength) as the age of the stain increases. The extent of this shift permits, for the first time, a distinction to be made between bloodstains that were deposited minutes, hours, days and weeks prior to recovery and analysis. The extent of the blue shift was found to be a function of ambient relative humidity and temperature. The method is extremely sensitive, requiring as little as a 1 µl dried bloodstain for analysis. We demonstrate that it might be possible to perform TSD measurements at the crime scene using a portable low-sample-volume spectrophotometer. PMID:20877468

  6. meso-meso linked porphyrin-[26]hexaphyrin-porphyrin hybrid arrays and their triply linked tapes exhibiting strong absorption bands in the NIR region.

    PubMed

    Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro

    2015-02-11

    We describe the synthesis and characterization of directly meso-meso linked porphyrin-[26]hexaphyrin-porphyrin hybrid oligomers and their triply linked (completely fused) hybrid tapes. meso-meso Linked Ni(II) porphyrin-[26]hexaphyrin-Ni(II) porphyrin trimers were prepared by methanesulfonic acid-catalyzed cross-condensation of meso-formyl Ni(II) porphyrins with a 5,10-diaryltripyrrane followed by oxidation with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). The Ni(II) porphyrin moieties were converted to Zn(II) porphyrins via an indirect route involving reduction of the [26]hexaphyrin to its 28π congener, acid-induced denickelation, oxidation of the [28]hexaphyrin, and finally Zn(II) ion insertion. Over the course of these transformations, porphyrin-[28]hexaphyrin-porphyrin trimers have been revealed to take on a Möbius aromatic twisted structure for the [28]hexaphyrin segment. Oxidation of meso-meso linked hybrid trimer bearing 5,15-diaryl Zn(II) porphyrins with DDQ/Sc(OTf)3 under mild conditions resulted in meso-meso coupling oligomerization, affording the corresponding dimeric (hexamer), trimeric (nonamer), and tetrameric (dodecamer) oligomers. On the other hand, oxidation of a meso-meso linked hybrid trimer bearing 5,10,15-triaryl Zn(II) porphyrin terminals with DDQ/Sc(OTf)3 under harsher conditions afforded a meso-meso, β-β, β-β triply linked hybrid porphyrin tape, which displays a sharp and intense absorption band at 1912 nm. Comparison of this extremely red-shifted absorption band with those of Zn(II) porphyrin tapes suggests that the bathochromic-shifting capability of a [26]hexaphyrin unit is large, almost equivalent to that of four individual Zn(II) porphyrin units. As demonstrated, the fusion of porphyrins to [26]hexaphyrin offers an efficient means to expand their conjugation networks, significantly expanding the capabilities attainable for these chromophores.

  7. Gold Nanoparticles with Externally Controlled, Reversible Shifts of Local Surface Plasmon Resonance Bands

    PubMed Central

    Yavuz, Mustafa S.; Jensen, Gary C.; Penaloza, David P.; Seery, Thomas A. P.; Pendergraph, Samuel A.; Rusling, James F.; Sotzing, Gregory A.

    2010-01-01

    We have achieved reversible tunability of local surface plasmon resonance in conjugated polymer functionalized gold nanoparticles. This property was facilitated by the preparation of 3,4-ethylenedioxythiophene (EDOT) containing polynorbornene brushes on gold nanoparticles via surface-initiated ring-opening metathesis polymerization. Reversible tuning of the surface plasmon band was achieved by electrochemically switching the EDOT polymer between its reduced and oxidized states. PMID:19839619

  8. Theoretical study of electronic absorption spectroscopy of propadienylidene molecule vis-â-vis the observed diffuse interstellar bands

    NASA Astrophysics Data System (ADS)

    Reddy, Samala Nagaprasad; Mahapatra, S.

    2012-07-01

    Observation of broad and diffuse interstellar bands (DIBs) at 4881 Å and 5440 Å assigned to the optical absorption spectrum of Y-shaped propadienylidene (H2Cdbnd Cdbnd C:) molecule is theoretically examined in this paper. This molecule apparently absorbs in the same wavelength region as the observed DIBs and was suggested to be a potential carrier of these DIBs. This assignment mostly relied on the experimental data from radioastronomy and laboratory measurements. Motivated by these available experimental data we attempt here a theoretical study and investigate the detailed electronic structure and nuclear dynamics underlying the electronic absorption bands of propadienylidene molecule. Our results show that this molecule indeed absorbs in the wavelength region of the recorded DIBs. Strong nonadiabatic coupling between its energetically low-lying electronic states plays major role, initiates ultrafast internal conversion and contributes to the spectral broadening. Theoretical findings are finally compared with the available experimental and theoretical data and discussed in connection with the recorded DIBs.

  9. First detection of ionized helium absorption lines in infrared K band spectra of O-type stars

    NASA Technical Reports Server (NTRS)

    Conti, Peter S.; Block, David L.; Geballe, T. R.; Hanson, Margaret M.

    1993-01-01

    We have obtained high SNR, moderate-resolution K band spectra of two early O-type main sequence stars, HD 46150 O5 V, and HD 46223 O4 V, in the Rosette Nebula. We report the detection, for the first time, of the 2.189 micron He II line in O-type stars. Also detected is the 2.1661 micron Br-gamma line in absorption. The 2.058 micron He I line appears to be present in absorption in both stars, although its appearance at our resolution is complicated by atmospheric features. These three lines can form the basis for a spectral classification system for hot stars in the K band that may be used at infrared wavelengths to elucidate the nature of those luminous stars in otherwise obscured H II and giant H II regions.

  10. [Generation of reactive oxygen species in water under exposure of visible or infrared irradiation at absorption band of molecular oxygen].

    PubMed

    Gudkov, S V; Karp, O E; Garmash, S A; Ivanov, V E; Chernikov, A V; Manokhin, A A; Astashev, M E; Iaguzhinskiĭ, L S; Bruskov, V I

    2012-01-01

    It is found that in bidistilled water saturated with oxygen hydrogen peroxide and hydroxyl radicals are formed under the influence of visible and infrared radiation in the absorption bands of molecular oxygen. Formation of reactive oxygen species (ROS) occurs under the influence of both solar and artificial light sourses, including the coherent laser irradiation. The oxygen effect, i.e. the impact of dissolved oxygen concentration on production of hydrogen peroxide induced by light, is detected. It is shown that the visible and infrared radiation in the absorption bands of molecular oxygen leads to the formation of 8-oxoguanine in DNA in vitro. Physicochemical mechanisms of ROS formation in water when exposed to visible and infrared light are studied, and the involvement of singlet oxygen and superoxide anion radicals in this process is shown.

  11. Attosecond transient absorption of argon atoms in the vacuum ultraviolet region: line energy shifts versus coherent population transfer

    NASA Astrophysics Data System (ADS)

    Cao, Wei; Warrick, Erika R.; Neumark, Daniel M.; Leone, Stephen R.

    2016-01-01

    Using attosecond transient absorption, the dipole response of an argon atom in the vacuum ultraviolet (VUV) region is studied when an external electromagnetic field is present. An isolated attosecond VUV pulse populates Rydberg states lying 15 eV above the argon ground state. A synchronized few-cycle near infrared (NIR) pulse modifies the oscillating dipoles of argon impulsively, leading to alterations in the VUV absorption spectra. As the NIR pulse is delayed with respect to the VUV pulse, multiple features in the absorption profile emerge simultaneously including line broadening, sideband structure, sub-cycle fast modulations, and 5-10 fs slow modulations. These features indicate the coexistence of two general processes of the light-matter interaction: the energy shift of individual atomic levels and coherent population transfer between atomic eigenstates, revealing coherent superpositions. An intuitive formula is derived to treat both effects in a unifying framework, allowing one to identify and quantify the two processes in a single absorption spectrogram.

  12. a Theoretical Model for Wide-Band Infrared-Absorption Molecular Spectra at any Pressure: Fiction or Reality?

    NASA Astrophysics Data System (ADS)

    Buldyreva, Jeanna; Vander Auwera, Jean

    2014-06-01

    Various atmospheric applications require modeling of infrared absorption by the main atmospheric species in wide ranges of frequencies, pressures and temperatures. For different pressure regimes, different mechanisms are responsible for the observed intensities of vibration-rotation line manifolds, and the structure of the bands changes drastically when going from low to high densities. Therefore, no universal theoretical model exists presently to interpret simultaneously collapsed band-shapes observed at very high pressures and isolated-line shapes recorded in sub-atmospheric regimes. Using CO_2 absorption spectra as an example, we introduce some improvements in the non-Markovian Energy-Corrected Sudden model, developed for high-density spectra of arbitrary tensorial rank and generalized recently to parallel and perpendicular infrared absorption bands, and test the applicability of this approach for the case of nearly Doppler pressure regime via comparisons with recently recorded experimental intensities. J.V. Buldyreva and L. Bonamy, Phys. Rev. A 60(1), 370-376 (1999). J. Buldyreva and L. Daneshvar, J. Chem. Phys. 139, 164107 (2013). L. Daneshvar, T. Földes, J. Buldyreva, J. Vander Auwera, J. Quant. Spectrosc. Radiat. Transfer 2014 (to be submitted).

  13. Wideband enhancement of infrared absorption in a direct band-gap semiconductor by using nonabsorptive pyramids.

    PubMed

    Dai, Weitao; Yap, Daniel; Chen, Gang

    2012-07-02

    Efficient trapping of the light in a photon absorber or a photodetector can improve its performance and reduce its cost. In this paper we investigate two designs for light-trapping in application to infrared absorption. Our numerical simulations demonstrate that nonabsorptive pyramids either located on top of an absorbing film or having embedded absorbing rods can efficiently enhance the absorption in the absorbing material. A spectrally averaged absorptance of 83% is achieved compared to an average absorptance of 28% for the optimized multilayer structure that has the same amount of absorbing material. This enhancement is explained by the coupled-mode theory. Similar designs can also be applied to solar cells.

  14. Probing the Sub-cycle AC Stark Shift by means of Attosecond Pulses: An ab initio Study of Transient Absorption

    NASA Astrophysics Data System (ADS)

    Zhao, Di; Telnov, Dmitry A.; Chu, Shih-I.

    2012-06-01

    We report a first fully ab initio theoretical exploration of the sub-cycle dynamical AC Stark shift and broadening of He atoms driven by an attosecond pulse and IR pulse. Since the duration of the UV pulse is much shorter than that of the optical cycle of the IR dressing laser field, the sub-cycle dynamics of the dressed atoms can be unfolded by applying the attosecond pulse at different time delay. A nonperturbative method is developed to calculate the transient absorption spectrum without weak-field limitation. By solving the time-dependent Schr"odinger equation accurately by means of the time-dependent generalized pseudospectral method, we predict novel sub-cycle laser-induced time-dependent AC Stark shift and power broadening of He atoms whose dynamical features are in good agreement with the latest ongoing experiments at UCF. Detailed results will be presented. This work is partially supported by DOE and NSF.

  15. Wide angle and narrow-band asymmetric absorption in visible and near-infrared regime through lossy Bragg stacks

    PubMed Central

    Shu, Shiwei; Zhan, Yawen; Lee, Chris; Lu, Jian; Li, Yang Yang

    2016-01-01

    Absorber is an important component in various optical devices. Here we report a novel type of asymmetric absorber in the visible and near-infrared spectrum which is based on lossy Bragg stacks. The lossy Bragg stacks can achieve near-perfect absorption at one side and high reflection at the other within the narrow bands (several nm) of resonance wavelengths, whereas display almost identical absorption/reflection responses for the rest of the spectrum. Meanwhile, this interesting wavelength-selective asymmetric absorption behavior persists for wide angles, does not depend on polarization, and can be ascribed to the lossy characteristics of the Bragg stacks. Moreover, interesting Fano resonance with easily tailorable peak profiles can be realized using the lossy Bragg stacks. PMID:27251768

  16. The C2H, C2, and CN electronic absorption bands in the carbon star HD 19557

    NASA Technical Reports Server (NTRS)

    Goebel, J. H.; Bregman, J. D.; Cooper, D. M.; Goorvitch, D.; Langhoff, S. R.; Witteborn, F. C.

    1983-01-01

    Infrared spectrophotometry of the R-type carbon star HD 19557 is presented. Two unusual spectroscopic features are seen: a 3.1 micron band is lacking and a 2.8 micron band is present. Identifications are proposed for three previously unreported stellar absorption bands with electronic sequences of C2, CN, and C2H. The latter is proposed to be responsible for the 2.8 micron feature. The atmospheric structure of the star is studied with synthetic spectra, and an effective temperature between 2600 K and 3000 K is suggested. No SiC emission is seen at 11.3 microns, indicating that grain formation is not a viable process around the star. The lack of dust in R stars may suggest a salient difference between R and N types.

  17. Analysis of airborne imaging spectrometer data for the Ruby Mountains, Montana, by use of absorption-band-depth images

    NASA Technical Reports Server (NTRS)

    Brickey, David W.; Crowley, James K.; Rowan, Lawrence C.

    1987-01-01

    Airborne Imaging Spectrometer-1 (AIS-1) data were obtained for an area of amphibolite grade metamorphic rocks that have moderate rangeland vegetation cover. Although rock exposures are sparse and patchy at this site, soils are visible through the vegetation and typically comprise 20 to 30 percent of the surface area. Channel averaged low band depth images for diagnostic soil rock absorption bands. Sets of three such images were combined to produce color composite band depth images. This relative simple approach did not require extensive calibration efforts and was effective for discerning a number of spectrally distinctive rocks and soils, including soils having high talc concentrations. The results show that the high spectral and spatial resolution of AIS-1 and future sensors hold considerable promise for mapping mineral variations in soil, even in moderately vegetated areas.

  18. Inter-layer coupling induced valence band edge shift in mono- to few-layer MoS2

    DOE PAGES

    Trainer, Daniel J.; Putilov, Aleksei V.; Di Giorgio, Cinzia; ...

    2017-01-13

    In this study, recent progress in the synthesis of monolayer MoS2, a two-dimensional direct band-gap semiconductor, is paving new pathways toward atomically thin electronics. Despite the large amount of literature, fundamental gaps remain in understanding electronic properties at the nanoscale. Here,we report a study of highly crystalline islands of MoS2 grown via a refined chemical vapor deposition synthesis technique. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS), photoemission electron microscopy/spectroscopy (PEEM) and μ-ARPES we investigate the electronic properties of MoS2 as a function of the number of layers at the nanoscale and show in-depth how the band gap ismore » affected by a shift of the valence band edge as a function of the layer number. Green’s function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap reduction with increasing thickness, and the role of the interfacial Sulphur atoms is clarified. Our study, which gives new insight into the variation of electronic properties of MoS2 films with thickness bears directly on junction properties of MoS2, and thus impacts electronics application of MoS2.« less

  19. Inter-Layer Coupling Induced Valence Band Edge Shift in Mono- to Few-Layer MoS2

    PubMed Central

    Trainer, Daniel J.; Putilov, Aleksei V.; Di Giorgio, Cinzia; Saari, Timo; Wang, Baokai; Wolak, Mattheus; Chandrasena, Ravini U.; Lane, Christopher; Chang, Tay-Rong; Jeng, Horng-Tay; Lin, Hsin; Kronast, Florian; Gray, Alexander X.; Xi, Xiaoxing X.; Nieminen, Jouko; Bansil, Arun; Iavarone, Maria

    2017-01-01

    Recent progress in the synthesis of monolayer MoS2, a two-dimensional direct band-gap semiconductor, is paving new pathways toward atomically thin electronics. Despite the large amount of literature, fundamental gaps remain in understanding electronic properties at the nanoscale. Here, we report a study of highly crystalline islands of MoS2 grown via a refined chemical vapor deposition synthesis technique. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS), photoemission electron microscopy/spectroscopy (PEEM) and μ-ARPES we investigate the electronic properties of MoS2 as a function of the number of layers at the nanoscale and show in-depth how the band gap is affected by a shift of the valence band edge as a function of the layer number. Green’s function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap reduction with increasing thickness, and the role of the interfacial Sulphur atoms is clarified. Our study, which gives new insight into the variation of electronic properties of MoS2 films with thickness bears directly on junction properties of MoS2, and thus impacts electronics application of MoS2. PMID:28084465

  20. Inter-Layer Coupling Induced Valence Band Edge Shift in Mono- to Few-Layer MoS2

    NASA Astrophysics Data System (ADS)

    Trainer, Daniel J.; Putilov, Aleksei V.; di Giorgio, Cinzia; Saari, Timo; Wang, Baokai; Wolak, Mattheus; Chandrasena, Ravini U.; Lane, Christopher; Chang, Tay-Rong; Jeng, Horng-Tay; Lin, Hsin; Kronast, Florian; Gray, Alexander X.; Xi, Xiaoxing X.; Nieminen, Jouko; Bansil, Arun; Iavarone, Maria

    2017-01-01

    Recent progress in the synthesis of monolayer MoS2, a two-dimensional direct band-gap semiconductor, is paving new pathways toward atomically thin electronics. Despite the large amount of literature, fundamental gaps remain in understanding electronic properties at the nanoscale. Here, we report a study of highly crystalline islands of MoS2 grown via a refined chemical vapor deposition synthesis technique. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS), photoemission electron microscopy/spectroscopy (PEEM) and μ-ARPES we investigate the electronic properties of MoS2 as a function of the number of layers at the nanoscale and show in-depth how the band gap is affected by a shift of the valence band edge as a function of the layer number. Green’s function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap reduction with increasing thickness, and the role of the interfacial Sulphur atoms is clarified. Our study, which gives new insight into the variation of electronic properties of MoS2 films with thickness bears directly on junction properties of MoS2, and thus impacts electronics application of MoS2.

  1. Hydrophilic Indolium Cycloruthenated Complex System for Visual Detection of Bisulfite with a Large Red Shift in Absorption.

    PubMed

    Su, Xianlong; Hu, Rongrong; Li, Xianghong; Zhu, Jun; Luo, Facheng; Niu, Xuehu; Li, Mei; Zhao, Qiang

    2016-01-19

    Bisulfite, as an important additive in foodstuffs, is one of the most widely distributed environmental pollutants. The excessive intake of bisulfite may cause asthmatic attacks and allergic reactions. Therefore, the determination and visual detection of bisulfite are very important. Herein, a newly designed hydrophilic indolium cycloruthenated complex, [Ru(mepbi)(bpy)2](+) [1; bpy = 2,2'-bipyridine and Hmepbi = 3,3-dimethyl-1-ethyl-2-[4-(pyridin-2-yl)styryl]benzo[e]indolium iodide (3)], was successfully synthesized and used as a bisulfite probe. The bisulfite underwent a 1,4-addition reaction with complex 1 in PBS buffer (10 mM, pH 7.40), resulting in a dramatic change in absorption spectra with a red shift of over 100 nm and a remarkable change in solution color from yellow to pink. It is worth noting that this obvious bathochromic shift is rarely observed in the detection of bisulfite through an addition reaction. The detection limit was calculated to be as low as 0.12 μM by UV-vis absorption spectroscopy. Moreover, complex 1 was also used to detect bisulfite in sugar samples (granulated and crystal sugar) with good recovery.

  2. Time-Resolved IR-Absorption Spectroscopy of Hot-Electron Dynamics in Satellite and Upper Conduction Bands in GaP

    NASA Technical Reports Server (NTRS)

    Cavicchia, M. A.; Alfano, R. R.

    1995-01-01

    The relaxation dynamics of hot electrons in the X6 and X7 satellite and upper conduction bands in GaP was directly measured by femtosecond UV-pump-IR-probe absorption spectroscopy. From a fit to the induced IR-absorption spectra the dominant scattering mechanism giving rise to the absorption at early delay times was determined to be intervalley scattering of electrons out of the X7 upper conduction-band valley. For long delay times the dominant scattering mechanism is electron-hole scattering. Electron transport dynamics of the upper conduction band of GaP has been time resolved.

  3. Sub-nanometer linewidth perfect absorption in visible band induced by Bloch surface wave

    NASA Astrophysics Data System (ADS)

    Cong, Jiawei; Liu, Wenxing; Zhou, Zhiqiang; Ren, Naifei; Ding, Guilin; Chen, Mingyang; Yao, Hongbing

    2016-12-01

    We demonstrate the unity absorption of visible light with an ultra-narrow 0.1 nm linewidth. It arises from the Bloch surface wave resonance in alternating TiO2/SiO2 multilayers. The total absorption and narrow linewidth are explained from the radiative and absorptive damping, which are quantitatively determined by the temporal coupled mode theory. When a silver film with proper thickness is added to the absorber, the perfect absorption is achieved with only 3 structural bilayers, in contrast with 8 bilayers required without Ag. Furthermore, significant field enhancement and an ultrahigh 2600/RIU sensing figure-of-merit are simultaneously obtained at resonance, which might facilitate applications in nonlinear optical devices and high resolution refractive index sensing.

  4. Real-time monitoring of reactive species in downstream etch reactor by VUV broad-band absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Soriano, R.; Vallier, L.; Cunge, G.; Sadeghi, N.

    2016-09-01

    Plasma etching of nanometric size, high aspect-ratio structures is more challenging at each new technological node. Remote plasmas are beginning to find use when damages on nanostructures by ion bombardment become critical or when etching with high selectivity on different materials present on the wafer is necessary (i . e . tungsten oxide etching with fluorine and hydrogen containing plasmas in remote reactor from AMAT). Furthermore, it is expected that downstream plasma will replace many wet chemical etching processes to alleviate the issue of pattern collapses caused by capillary forces when nanometer size high aspect ratio structures are immersed in liquids. In these downstream plasmas, radicals are the main active species and a control of their density is of prime importance. Most of gases used and radicals produced in etching plasmas (HBr, BrCl, Br2, NF3, CH2F2,...) have strong absorption bands in the vacuum UV spectral region and we have shown that very low concentration of these species can be detected by VUV absorption. We have recently improved the technique by using a VUV CCD camera, instead of the PMT, which render possible the Broad-Band absorption spectroscopy in the 120-200 nm range, with a deuterium lamp, or a laser produced xenon arc lamp as light source. The multi-spectral detection ability of the CCD reduces the acquisition time to less than 1 second and can permit the real time control of the process control.

  5. Ground-based Photon Path Measurements from Solar Absorption Spectra of the O2 A-band

    NASA Technical Reports Server (NTRS)

    Yang, Z.; Wennberg, P. O.; Cageao, R. P.; Pongetti, T. J.; Toon, G. C.; Sander, S. P.

    2005-01-01

    High-resolution solar absorption spectra obtained from Table Mountain Facility (TMF, 34.38degN, 117.68degW, 2286 m elevation) have been analyzed in the region of the O2 A-band. The photon paths of direct sunlight in clear sky cases are retrieved from the O2 absorption lines and compared with ray-tracing calculations based on the solar zenith angle and surface pressure. At a given zenith angle, the ratios of retrieved to geometrically derived photon paths are highly precise (approx.0.2%), but they vary as the zenith angle changes. This is because current models of the spectral lineshape in this band do not properly account for the significant absorption that exists far from the centers of saturated lines. For example, use of a Voigt function with Lorentzian far wings results in an error in the retrieved photon path of as much as 5%, highly correlated with solar zenith angle. Adopting a super-Lorentz function reduces, but does not completely eliminate this problem. New lab measurements of the lineshape are required to make further progress.

  6. Semi-Empirical Validation of the Cross-Band Relative Absorption Technique for the Measurement of Molecular Mixing Ratios

    NASA Technical Reports Server (NTRS)

    Pliutau, Denis; Prasad, Narasimha S

    2013-01-01

    Studies were performed to carry out semi-empirical validation of a new measurement approach we propose for molecular mixing ratios determination. The approach is based on relative measurements in bands of O2 and other molecules and as such may be best described as cross band relative absorption (CoBRA). . The current validation studies rely upon well verified and established theoretical and experimental databases, satellite data assimilations and modeling codes such as HITRAN, line-by-line radiative transfer model (LBLRTM), and the modern-era retrospective analysis for research and applications (MERRA). The approach holds promise for atmospheric mixing ratio measurements of CO2 and a variety of other molecules currently under investigation for several future satellite lidar missions. One of the advantages of the method is a significant reduction of the temperature sensitivity uncertainties which is illustrated with application to the ASCENDS mission for the measurement of CO2 mixing ratios (XCO2). Additional advantages of the method include the possibility to closely match cross-band weighting function combinations which is harder to achieve using conventional differential absorption techniques and the potential for additional corrections for water vapor and other interferences without using the data from numerical weather prediction (NWP) models.

  7. Electron transport and Goos-Hänchen shift in graphene with electric and magnetic barriers: optical analogy and band structure

    NASA Astrophysics Data System (ADS)

    Sharma, Manish; Ghosh, Sankalpa

    2011-02-01

    Transport of massless Dirac fermions in graphene monolayers is analysed in the presence of a combination of singular magnetic barriers and applied electrostatic potential. Extending a recently proposed (Ghosh and Sharma 2009 J. Phys.: Condens. Matter 21 292204) analogy between the transmission of light through a medium with modulated refractive index and electron transmission in graphene through singular magnetic barriers to the present case, we find the addition of a scalar potential profoundly changes the transmission. We calculate the quantum version of the Goos-Hänchen shift that the electron wave suffers upon being totally reflected by such barriers. The combined electric and magnetic barriers substantially modify the band structure near the Dirac point. This affects transport near the Dirac point significantly and has important consequences for graphene-based electronics.

  8. Emission red shift and unusual band narrowing of Mn2+ in NaCaPO4 phosphor.

    PubMed

    Shi, Liang; Huang, Yanlin; Seo, Hyo Jin

    2010-07-08

    Concentration dependence of Mn(2+) luminescence in NaCaPO(4)/Mn(2+) is investigated by structural analyses and optical and laser excitation spectroscopies in the temperature range 19-300 K. NaCaPO(4)/Mn(2+) forms solid solution over the Mn(2+) concentration range 1.0-22 mol %. We observe the red shift and unusual band narrowing of Mn(2+) emission by increasing Mn(2+) concentration in NaCaPO(4). The lifetime of Mn(2+) emission lengthens unexpectedly for higher Mn(2+) concentration. The results are discussed in relation with crystal structure, photon reabsorption, exchange interaction, and energy transfer and energy migration in NaCaPO(4)/Mn(2+).

  9. Electron transport and Goos-Hänchen shift in graphene with electric and magnetic barriers: optical analogy and band structure.

    PubMed

    Sharma, Manish; Ghosh, Sankalpa

    2011-02-09

    Transport of massless Dirac fermions in graphene monolayers is analysed in the presence of a combination of singular magnetic barriers and applied electrostatic potential. Extending a recently proposed (Ghosh and Sharma 2009 J. Phys.: Condens. Matter 21 292204) analogy between the transmission of light through a medium with modulated refractive index and electron transmission in graphene through singular magnetic barriers to the present case, we find the addition of a scalar potential profoundly changes the transmission. We calculate the quantum version of the Goos-Hänchen shift that the electron wave suffers upon being totally reflected by such barriers. The combined electric and magnetic barriers substantially modify the band structure near the Dirac point. This affects transport near the Dirac point significantly and has important consequences for graphene-based electronics.

  10. Method for improving terahertz band absorption spectrum measurement accuracy using noncontact sample thickness measurement.

    PubMed

    Li, Zhi; Zhang, Zhaohui; Zhao, Xiaoyan; Su, Haixia; Yan, Fang; Zhang, Han

    2012-07-10

    The terahertz absorption spectrum has a complex nonlinear relationship with sample thickness, which is normally measured mechanically with limited accuracy. As a result, the terahertz absorption spectrum is usually determined incorrectly. In this paper, an iterative algorithm is proposed to accurately determine sample thickness. This algorithm is independent of the initial value used and results in convergent calculations. Precision in sample thickness can be improved up to 0.1 μm. A more precise absorption spectrum can then be extracted. By comparing the proposed method with the traditional method based on mechanical thickness measurements, quantitative analysis experiments on a three-component amino acid mixture shows that the global error decreased from 0.0338 to 0.0301.

  11. Absorption and emission line shapes in the O2 atmospheric bands - Theoretical model and limb viewing simulations

    NASA Technical Reports Server (NTRS)

    Abreu, Vincent J.; Bucholtz, A.; Hays, P. B.; Ortland, D.; Skinner, W. R.

    1989-01-01

    A multiple scattering radiative transfer model has been developed to carry out a line-by-line calculation of the absorption and emission limb measurements that will be made by the High Resolution Doppler Imager to be flown on the Upper Atmosphere Research Satellite. The multiple scattering model uses the doubling and adding methods to solve the radiative transfer equation, modified to take into account a spherical inhomogeneous atmosphere. Representative absorption and emission line shapes in the O2 1Sigma(+)g - 3Sigma(-)g atmospheric bands (A,B, and gamma) and their variation with altitude are presented. The effects of solar zenith angle, aerosol loading, surface albedo, and cloud height on the line shapes are also discussed.

  12. Iron-absorption band analysis for the discrimination of iron-rich zones

    NASA Technical Reports Server (NTRS)

    Rowan, L. C. (Principal Investigator)

    1972-01-01

    The author has identified the following significant results. Analysis of ERTS-1 images of Nevada has followed two courses: comparative lineament mapping and spectral reflectance evaluation. The comparative lineament mapping was conducted by mapping lineaments on 9 x 9 inch prints of MSS bands 5 and 7, transferring the data to a base map, and comparing the results with existing geologic maps. The most significant results are that lineaments are more numerous on the band 7 images, and approximately 100 percent more were mapped than appear on existing maps. Geologic significance of these newly mapped lineaments will not be known until they are checked in the field: many are probably faults. Spectral analysis has been limited to visual comparison among the four MSS bands. In general, higher scene contrast is shown in the near infrared bands (6 and 7) than in the visible wavelength bands (4 and 5). The economic implications of these results derive chiefly from the greater efficiency that can be obtained by using near infrared as well as visible wavelength images.

  13. Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone

    SciTech Connect

    Picconi, David; Grebenshchikov, Sergy Yu.

    2014-08-21

    Photodissociation of ozone in the near UV is studied quantum mechanically in two excited electronic states coupled at a conical intersection located outside the Franck-Condon zone. The calculations, performed using recent ab initio PESs, provide an accurate description of the photodissociation dynamics across the Hartley/Huggins absorption bands. The observed photofragment distributions are reproduced in the two electronic dissociation channels. The room temperature absorption spectrum, constructed as a Boltzmann average of many absorption spectra of rotationally excited parent ozone, agrees with experiment in terms of widths and intensities of diffuse structures. The exit channel conical intersection contributes to the coherent broadening of the absorption spectrum and directly affects the product vibrational and translational distributions. The photon energy dependences of these distributions are strikingly different for fragments created along the adiabatic and the diabatic paths through the intersection. They can be used to reverse engineer the most probable geometry of the non-adiabatic transition. The angular distributions, quantified in terms of the anisotropy parameter β, are substantially different in the two channels due to a strong anticorrelation between β and the rotational angular momentum of the fragment O{sub 2}.

  14. Non-uniform temperature and species concentration measurements in a laminar flame using multi-band infrared absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Ma, Liu Hao; Lau, Lok Yin; Ren, Wei

    2017-03-01

    We report in situ measurements of non-uniform temperature, H2O and CO2 concentration distributions in a premixed methane-air laminar flame using tunable diode laser absorption spectroscopy (TDLAS). A mid-infrared, continuous-wave, room-temperature interband cascade laser (ICL) at 4183 nm was used for the sensitive detection of CO2 at high temperature.The H2O absorption lines were exploited by one distributed feedback (DFB) diode laser at 1343 nm and one ICL at 2482 nm to achieve multi-band absorption measurements with high species concentration sensitivity, high temperature sensitivity, and immunity to variations in ambient conditions. A novel profile-fitting function was proposed to characterize the non-uniform temperature and species concentrations along the line-of-sight in the flame by detecting six absorption lines of CO2 and H2O simultaneously. The flame temperature distribution was measured at different heights above the burner (5-20 mm), and compared with the thermocouple measurement with heat-transfer correction. Our TDLAS measured temperature of the central flame was in excellent agreement (<1.5% difference) with the thermocouple data.The TDLAS results were also compared with the CFD simulations using a detailed chemical kinetics mechanism (GRI 3.0) and considering the heat loss to the surroundings.The current CFD simulation overpredicted the flame temperature in the gradient region, but was in excellent agreement with the measured temperature and species concentration in the core of the flame.

  15. Experimental demonstration of terahertz metamaterial absorbers with a broad and flat high absorption band.

    PubMed

    Huang, Li; Chowdhury, Dibakar Roy; Ramani, Suchitra; Reiten, Matthew T; Luo, Sheng-Nian; Taylor, Antoinette J; Chen, Hou-Tong

    2012-01-15

    We present the design, numerical simulations and experimental measurements of terahertz metamaterial absorbers with a broad and flat absorption top over a wide incidence angle range for either transverse electric or transverse magnetic polarization depending on the incident direction. The metamaterial absorber unit cell consists of two sets of structures resonating at different but close frequencies. The overall absorption spectrum is the superposition of individual components and becomes flat at the top over a significant bandwidth. The experimental results are in excellent agreement with numerical simulations.

  16. Theoretical study on the photofragment branching ratios and anisotropy parameters of ICl in the second absorption band

    NASA Astrophysics Data System (ADS)

    Matsuoka, Takahide; Yabushita, Satoshi

    2014-01-01

    Potential energy curves, transition dipole moments, and non-adiabatic coupling terms of the excited states of ICl molecule have been obtained by the spin-orbit configuration interaction method to examine the branching ratios and the anisotropy parameters of the photodissociation process in the second absorption band. The calculation of the branching ratios with the time-dependent coupled Schrödinger equations, including the quantum interference effect between the 0+(III) and 0+(IV) states, shows good agreement with recent experiments, thus resolves the long standing disagreement. The contribution of the quantum interference effect to the photodissociation process is discussed based on a time-dependent perturbation treatment.

  17. Higher-order mode absorption measurement of X-band choke-mode cavities in a radial line structure

    NASA Astrophysics Data System (ADS)

    Zha, Hao; Shi, Jiaru; Wu, Xiaowei; Chen, Huaibi

    2016-04-01

    An experiment is presented to study the higher-order mode (HOM) suppression of X-band choke-mode structures with a vector network analyzer (VNA). Specific radial line disks were built to test the reflection from the corresponding damping load and different choke geometries. The mismatch between the radial lines and the VNA was calibrated through a special multi-short-load calibration method. The measured reflections of different choke geometries showed good agreement with the theoretical calculations and verified the HOM absorption feature of each geometric design.

  18. Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: sparse methods for statistical selection of relevant absorption bands

    NASA Astrophysics Data System (ADS)

    Takahama, Satoshi; Ruggeri, Giulia; Dillner, Ann M.

    2016-07-01

    Various vibrational modes present in molecular mixtures of laboratory and atmospheric aerosols give rise to complex Fourier transform infrared (FT-IR) absorption spectra. Such spectra can be chemically informative, but they often require sophisticated algorithms for quantitative characterization of aerosol composition. Naïve statistical calibration models developed for quantification employ the full suite of wavenumbers available from a set of spectra, leading to loss of mechanistic interpretation between chemical composition and the resulting changes in absorption patterns that underpin their predictive capability. Using sparse representations of the same set of spectra, alternative calibration models can be built in which only a select group of absorption bands are used to make quantitative prediction of various aerosol properties. Such models are desirable as they allow us to relate predicted properties to their underlying molecular structure. In this work, we present an evaluation of four algorithms for achieving sparsity in FT-IR spectroscopy calibration models. Sparse calibration models exclude unnecessary wavenumbers from infrared spectra during the model building process, permitting identification and evaluation of the most relevant vibrational modes of molecules in complex aerosol mixtures required to make quantitative predictions of various measures of aerosol composition. We study two types of models: one which predicts alcohol COH, carboxylic COH, alkane CH, and carbonyl CO functional group (FG) abundances in ambient samples based on laboratory calibration standards and another which predicts thermal optical reflectance (TOR) organic carbon (OC) and elemental carbon (EC) mass in new ambient samples by direct calibration of infrared spectra to a set of ambient samples reserved for calibration. We describe the development and selection of each calibration model and evaluate the effect of sparsity on prediction performance. Finally, we ascribe

  19. A new colorimetric and far-red fluorescent probe for hydrazine with a large red-shifted absorption spectrum.

    PubMed

    Xu, Zujun; Pang, Mengmeng; Li, Changwang; Zhu, Baocun

    2016-10-18

    Recently, growing attention has been paid to the detection of hydrazine (NH2 NH2 ) because of its important roles in industrial chemical and high toxicity to human beings. Herein, we have constructed a new colorimetric and far-red fluorescent probe containing a receptor of 4-bromobutanoate to selectively detect hydrazine. The probe could detect hydrazine quantitatively in the range of 40-500 μM with the detection limit of 2.9 μM. In addition, the probe could monitor hydrazine by the ratiometric method with a large (185 nm) red-shifted absorption spectrum, and the color changes from yellow to blue make it as a 'naked-eye' indicator for hydrazine. Consequently, our proposed probe would be of great benefit for monitoring hydrazine in aqueous solution.

  20. Electronic structures of TiO2-TCNE, -TCNQ, and -2,6-TCNAQ surface complexes studied by ionization potential measurements and DFT calculations: Mechanism of the shift of interfacial charge-transfer bands

    NASA Astrophysics Data System (ADS)

    Fujisawa, Jun-ichi; Hanaya, Minoru

    2016-06-01

    Interfacial charge-transfer (ICT) transitions between inorganic semiconductors and π-conjugated molecules allow direct charge separation without loss of energy. This feature is potentially useful for efficient photovoltaic conversions. Charge-transferred complexes of TiO2 nanoparticles with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its analogues (TCNX) show strong ICT absorption in the visible region. The ICT band was reported to be significantly red-shifted with extension of the π-conjugated system of TCNX. In order to clarify the mechanism of the red-shift, in this work, we systematically study electronic structures of the TiO2-TCNX surface complexes (TCNX; TCNE, TCNQ, 2,6-TCNAQ) by ionization potential measurements and density functional theory (DFT) calculations.

  1. Iron absorption band analysis for the discrimination of iron rich zones

    NASA Technical Reports Server (NTRS)

    Rowan, L. C. (Principal Investigator)

    1973-01-01

    The author has identified the following significant results. A lineament study of the Nevada test site is near completion. Two base maps (1:500,000) have been prepared, one of band 7 lineaments and the other of band 5 lineaments. In general, more lineaments and more faults are seen on band 5. About 45% of the lineaments appear to be faults and contacts, the others being predominantly streams, roads, railway tracks, and mountain crests. About 25% of the lineaments are unidentified so far. Special attention is being given to unmapped extensions of faults, groups of unmapped lineaments, and known mineralized areas and alteration zones. Earthquake epicenters recorded from 1869 to 1963 have been plotted on the two base maps. Preliminary examination as yet indicates no basic correlation with the lineaments. Attempts are being made to subtract bands optically, using an I2S viewer, an enlarger, and a data color viewer. Success has been limited so far due to technical difficulties, mainly vignetting and poor light sources, within the machines. Some vegetation and rock type differences, however, have been discerned.

  2. Shape of impurity electronic absorption bands in a nematic liquid crystal

    SciTech Connect

    Aver`yanov, E.M.

    1995-02-01

    It is shown that the anisotropic intermolecular impurity-matrix interactions, statistical orientation properties, and the electronic structure of the uniaxial impurity molecules considerably affect the spectral moments of the impurity electronic adsorption bands in a nematic liquid crystal. 15 refs., 3 figs.

  3. Is a pyrene-like molecular ion the cause of the 4,430-angstroms diffuse interstellar absorption band?

    NASA Technical Reports Server (NTRS)

    Salama, F.; Allamandola, L. J.

    1992-01-01

    The diffuse interstellar bands (DIBs), ubiquitous absorption features in astronomical spectra, have been known since early this century and now number more than a hundred. Ranging from 4,400 angstroms to the near infrared, they differ markedly in depth, width and shape, making the concept of a single carrier unlikely. Whether they are due to gas or grains is not settled, but recent results suggest that the DIB carriers are quite separate from the grains that cause visual extinction. Among molecular candidates the polycyclic aromatic hydrocarbons (PAHs) have been proposed as the possible carriers of some of the DIBs, and we present here laboratory measurements of the optical spectrum of the pyrene cation C16H10+ in neon and argon matrices. The strongest absorption feature falls at 4,435 +/- 5 angstroms in the argon matrix and 4,395 +/- 5 angstroms in the neon matrix, both close to the strong 4,430-angstroms DIB. If this or a related pyrene-like species is responsible for this particular band, it must account for 0.2% of all cosmic carbon. The ion also shows an intense but puzzling broad continuum, extending from the ultraviolet to the visible, similar to what is seen in the naphthalene cation and perhaps therefore a common feature of all PAH cations. This may provide an explanation of how PAHs convert a large fraction of interstellar radiation from ultraviolet and visible wavelengths down to the infrared.

  4. THE 217.5 nm BAND, INFRARED ABSORPTION, AND INFRARED EMISSION FEATURES IN HYDROGENATED AMORPHOUS CARBON NANOPARTICLES

    SciTech Connect

    Duley, W. W.; Hu, Anming E-mail: a2hu@uwaterloo.ca

    2012-12-20

    We report on the preparation of hydrogenated amorphous carbon nanoparticles whose spectral characteristics include an absorption band at 217.5 nm with the profile and characteristics of the interstellar 217.5 nm feature. Vibrational spectra of these particles also contain the features commonly observed in absorption and emission from dust in the diffuse interstellar medium. These materials are produced under ''slow'' deposition conditions by minimizing the flux of incident carbon atoms and by reducing surface mobility. The initial chemistry leads to the formation of carbon chains, together with a limited range of small aromatic ring molecules, and eventually results in carbon nanoparticles having an sp {sup 2}/sp {sup 3} ratio Almost-Equal-To 0.4. Spectroscopic analysis of particle composition indicates that naphthalene and naphthalene derivatives are important constituents of this material. We suggest that carbon nanoparticles with similar composition are responsible for the appearance of the interstellar 217.5 nm band and outline how these particles can form in situ under diffuse cloud conditions by deposition of carbon on the surface of silicate grains. Spectral data from carbon nanoparticles formed under these conditions accurately reproduce IR emission spectra from a number of Galactic sources. We provide the first detailed fits to observational spectra of Type A and B emission sources based entirely on measured spectra of a carbonaceous material that can be produced in the laboratory.

  5. Stress-induced anomalous shift of optical band gap in Ga-doped ZnO thin films: Experimental and first-principles study

    SciTech Connect

    Wang, Yaqin; Tang, Wu E-mail: lan.zhang@mail.xjtu.edu.cn; Liu, Jie; Zhang, Lan E-mail: lan.zhang@mail.xjtu.edu.cn

    2015-04-20

    In this work, highly c-axis oriented Ga-doped ZnO thin films have been deposited on glass substrates by RF magnetron sputtering under different sputtering times. The optical band gap is observed to shift linearly with the electron concentration and in-plane stress. The failure of fitting the shift of band gap as a function of electron concentration using the available theoretical models suggests the in-plane stress, instead of the electron concentration, be regarded as the dominant cause to this anomalous redshift of the optical band gap. And the mechanism of stress-dependent optical band gap is supported by the first-principles calculation based on density functional theory.

  6. Spectroscopic determination of leaf biochemistry using band-depth analysis of absorption features and stepwise multiple linear regression

    USGS Publications Warehouse

    Kokaly, R.F.; Clark, R.N.

    1999-01-01

    We develop a new method for estimating the biochemistry of plant material using spectroscopy. Normalized band depths calculated from the continuum-removed reflectance spectra of dried and ground leaves were used to estimate their concentrations of nitrogen, lignin, and cellulose. Stepwise multiple linear regression was used to select wavelengths in the broad absorption features centered at 1.73 ??m, 2.10 ??m, and 2.30 ??m that were highly correlated with the chemistry of samples from eastern U.S. forests. Band depths of absorption features at these wavelengths were found to also be highly correlated with the chemistry of four other sites. A subset of data from the eastern U.S. forest sites was used to derive linear equations that were applied to the remaining data to successfully estimate their nitrogen, lignin, and cellulose concentrations. Correlations were highest for nitrogen (R2 from 0.75 to 0.94). The consistent results indicate the possibility of establishing a single equation capable of estimating the chemical concentrations in a wide variety of species from the reflectance spectra of dried leaves. The extension of this method to remote sensing was investigated. The effects of leaf water content, sensor signal-to-noise and bandpass, atmospheric effects, and background soil exposure were examined. Leaf water was found to be the greatest challenge to extending this empirical method to the analysis of fresh whole leaves and complete vegetation canopies. The influence of leaf water on reflectance spectra must be removed to within 10%. Other effects were reduced by continuum removal and normalization of band depths. If the effects of leaf water can be compensated for, it might be possible to extend this method to remote sensing data acquired by imaging spectrometers to give estimates of nitrogen, lignin, and cellulose concentrations over large areas for use in ecosystem studies.We develop a new method for estimating the biochemistry of plant material using

  7. Presence of terrestrial atmospheric gas absorption bands in standard extraterrestrial solar irradiance curves in the near-infrared spectral region.

    PubMed

    Gao, B C; Green, R O

    1995-09-20

    The solar irradiance curves compiled by Wehrli [Physikalisch-Meteorologisches Observatorium Publ. 615 (World Radiation Center, Davosdorf, Switzerland, 1985)] and by Neckel and Labs [Sol. Phys. 90, 205 (1984)] are widely used. These curves were obtained based on measurements of solar radiation from the ground and from aircraft platforms. Contaminations in these curves by atmospheric gaseous absorptions were inevitable. A technique for deriving the transmittance spectrum of the Sun's atmosphere from high-resolution (0.01 cm(-1)) solar occultation spectra measured above the Earth's atmosphere by the use of atmospheric trace molecule spectroscopy (ATMOS) aboard the space shuttle is described. The comparisons of the derived ATMOS solar transmittance spectrum with the two solar irradiance curves show that he curve derived by Wehrli contains many absorption features in the 2.0-2.5-µm region that are not of solar origin, whereas the curve obtained by Neckel and Labs is completely devoid of weak solar absorption features that should be there. An Earth atmospheric oxygen band at 1.268 µm and a water-vapor band near 0.94 µm are likely present in the curve obtained by Wehrli. It is shown that the solar irradiance measurement errors in some narrow spectral intervals can be as large as 20%. An improved solar irradiance spectrum is formed by the incorporation of the solar transmittance spectrum derived from the ATMOS data into the solar irradiance spectrum from Neckel and Labs. The availability of a new solar spectrum from 50 to 50 000 cm(-1) from the U.S. Air Force Phillips Laboratory is also discussed.

  8. Infrared, visible and ultraviolet absorptions of transition metal doped ZnS crystals with spin-polarized bands

    SciTech Connect

    Zhang, J.H.; Ding, J.W.; Cao, J.X.; Zhang, Y.L.

    2011-03-15

    The formation energies, electronic structures and optical properties of TM:ZnS systems (TM=Cr{sup 2+}, Mn{sup 2+}, Fe{sup 2+}, Co{sup 2+} and Ni{sup 2+}) are investigated by using the first principles method. It is found that the wurtzite and zinc-blende structures have about the same stability, and thus can coexist in the TM:ZnS system. From the wurtzite TM:ZnS, especially, a partially filled intermediate band (IB) is obtained at TM=Cr{sup 2+}, Ni{sup 2+} and Fe{sup 2+}, while it is absent at TM=Mn{sup 2+} and Co{sup 2+}. The additional absorptions are obtained in infrared, visible and ultraviolet (UV) regions, due to the completely spin-polarized IB at Fermi level. The results are very helpful for both the designs and applications of TM:ZnS opto-electronics devices, such as solar-cell prototype. -- Graphical abstract: Absorption coefficients of w-TM{sub x}Zn{sub 1-x}S crystals (TM=Cr{sup 2+}, Mn{sup 2+}, Fe{sup 2+}, Co{sup 2+} and Ni{sup 2+}) at x=0.028. The results may be helpful for the design and applications of TM:ZnS devices, especially for the new high efficiency solar-cell prototype, UV detector and UV LEDs. Display Omitted Research highlights: > It is found that the wurtzite and zinc-blende structures can coexist in TM:ZnS. > An intermediate band is obtained in TM:ZnS at TM=Cr{sup 2+}, Ni{sup 2+} and Fe{sup 2+}. > The absorption coefficients are obtained in infrared, visible and ultraviolet regions.

  9. On the sub-band gap optical absorption in heat treated cadmium sulphide thin film deposited on glass by chemical bath deposition technique

    SciTech Connect

    Chattopadhyay, P.; Karim, B.; Guha Roy, S.

    2013-12-28

    The sub-band gap optical absorption in chemical bath deposited cadmium sulphide thin films annealed at different temperatures has been critically analyzed with special reference to Urbach relation. It has been found that the absorption co-efficient of the material in the sub-band gap region is nearly constant up to a certain critical value of the photon energy. However, as the photon energy exceeds the critical value, the absorption coefficient increases exponentially indicating the dominance of Urbach rule. The absorption coefficients in the constant absorption region and the Urbach region have been found to be sensitive to annealing temperature. A critical examination of the temperature dependence of the absorption coefficient indicates two different kinds of optical transitions to be operative in the sub-band gap region. After a careful analyses of SEM images, energy dispersive x-ray spectra, and the dc current-voltage characteristics, we conclude that the absorption spectra in the sub-band gap domain is possibly associated with optical transition processes involving deep levels and the grain boundary states of the material.

  10. Shift of optical absorption edge in SnO2 films with high concentrations of nitrogen grown by chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Jiang, Jie; Lu, Yinmei; Meyer, Bruno K.; Hofmann, Detlev M.; Eickhoff, Martin

    2016-06-01

    The optical and electrical properties of n-type SnO2 films with high concentrations of nitrogen (SnO2:N) grown by chemical vapor deposition are studied. The carrier concentration increases from 4.1 × 1018 to 3.9 × 1019 cm-3 and the absorption edge shifts from 4.26 to 4.08 eV with increasing NH3 flow rate. Typical Urbach tails were observed from the absorption spectra and the Urbach energy increases from 0.321 to 0.526 eV with increasing NH3 flow rate. An "effective" absorption edge of about 4.61 eV was obtained for all investigated samples from fitting the extrapolations of the Urbach tails. Burstein-Moss effect, electron-impurity, and electron-electron interactions are shown to play a minor role for the shift of the absorption edges in SnO2:N thin films.

  11. Broad Band Light Absorption and High Photocurrent of (In,Ga)N Nanowire Photoanodes Resulting from a Radial Stark Effect.

    PubMed

    Kamimura, Jumpei; Bogdanoff, Peter; Corfdir, Pierre; Brandt, Oliver; Riechert, Henning; Geelhaar, Lutz

    2016-12-21

    The photoelectrochemical properties of (In,Ga)N nanowire photoanodes are investigated using H2O2 as a hole scavenger to prevent photocorrosion. Under simulated solar illumination, In0.16Ga0.84N nanowires grown by plasma-assisted molecular beam epitaxy show a high photocurrent of 2.7 mA/cm(2) at 1.2 V vs reversible hydrogen electrode. This value is almost the theoretical maximum expected from the corresponding band gap (2.8 eV) for homogeneous bulk material without taking into account surface effects. These nanowires exhibit a higher incident photon-to-current conversion efficiency over a broader wavelength range and a higher photocurrent than a compact layer with higher In content of 28%. These results are explained by the combination of built-in electric fields at the nanowire sidewall surfaces and compositional fluctuations in (In,Ga)N, which gives rise to a radial Stark effect. This effect enables spatially indirect transitions at energies much lower than the band gap. The resulting broad band light absorption leads to high photocurrents. This benefit of the radial Stark effect in (In,Ga)N nanowires for solar harvesting applications opens up the perspective to break the theoretical limit for photocurrents.

  12. Fluorinated graphene oxide for enhanced S and X-band microwave absorption

    SciTech Connect

    Sudeep, P. M.; Vinayasree, S.; Mohanan, P.; Ajayan, P. M.; Narayanan, T. N.; Anantharaman, M. R.

    2015-06-01

    Here we report the microwave absorbing properties of three graphene derivatives, namely, graphene oxide (GO), fluorinated GO (FGO, containing 5.6 at. % Fluorine (F)), and highly FGO (HFGO, containing 23 at. % F). FGO is known to be exhibiting improved electrochemical and electronic properties when compared to GO. Fluorination modifies the dielectric properties of GO and hence thought of as a good microwave absorber. The dielectric permittivities of GO, FGO, and HFGO were estimated in the S (2 GHz to 4 GHz) and X (8 GHz to 12 GHz) bands by employing cavity perturbation technique. For this, suspensions containing GO/FGO/HFGO were made in N-Methyl Pyrrolidone (NMP) and were subjected to cavity perturbation. The reflection loss was then estimated and it was found that −37 dB (at 3.2 GHz with 6.5 mm thickness) and −31 dB (at 2.8 GHz with 6 mm thickness) in the S band and a reflection loss of −18 dB (at 8.4 GHz with 2.5 mm thickness) and −10 dB (at 11 GHz with 2 mm thickness) in the X band were achieved for 0.01 wt. % of FGO and HFGO in NMP, respectively, suggesting that these materials can serve as efficient microwave absorbers even at low concentrations.

  13. VUV Fourier-transform absorption study of the Lyman and Werner bands in D2.

    PubMed

    de Lange, Arno; Dickenson, Gareth D; Salumbides, Edcel J; Ubachs, Wim; de Oliveira, Nelson; Joyeux, Denis; Nahon, Laurent

    2012-06-21

    An extensive survey of the D(2) absorption spectrum has been performed with the high-resolution VUV Fourier-transform spectrometer employing synchrotron radiation. The frequency range of 90,000-119,000 cm(-1) covers the full depth of the potential wells of the B (1)Σ(u)(+), B' (1)Σ(u)(+), and C (1)Π(u) electronic states up to the D(1s) + D(2l) dissociation limit. Improved level energies of rovibrational levels have been determined up to respectively v = 51, v = 13, and v = 20. Highest resolution is achieved by probing absorption in a molecular gas jet with slit geometry, as well as in a liquid helium cooled static gas cell, resulting in line widths of ≈0.35 cm(-1). Extended calibration methods are employed to extract line positions of D(2) lines at absolute accuracies of 0.03 cm(-1). The D (1)Π(u) and B'' (1)Σ(u)(+) electronic states correlate with the D(1s) + D(3l]) dissociation limit, but support a few vibrational levels below the second dissociation limit, respectively, v = 0-3 and v = 0-1, and are also included in the presented study. The complete set of resulting level energies is the most comprehensive and accurate data set for D(2). The observations are compared with previous studies, both experimental and theoretical.

  14. Multilayer Cloud Detection with the MODIS Near-Infrared Water Vapor Absorption Band

    NASA Technical Reports Server (NTRS)

    Wind, Galina; Platnick, Steven; King, Michael D.; Hubanks, Paul A,; Pavolonis, Michael J.; Heidinger, Andrew K.; Yang, Ping; Baum, Bryan A.

    2009-01-01

    Data Collection 5 processing for the Moderate Resolution Imaging Spectroradiometer (MODIS) onboard the NASA Earth Observing System EOS Terra and Aqua spacecraft includes an algorithm for detecting multilayered clouds in daytime. The main objective of this algorithm is to detect multilayered cloud scenes, specifically optically thin ice cloud overlying a lower-level water cloud, that presents difficulties for retrieving cloud effective radius using single layer plane-parallel cloud models. The algorithm uses the MODIS 0.94 micron water vapor band along with CO2 bands to obtain two above-cloud precipitable water retrievals, the difference of which, in conjunction with additional tests, provides a map of where multilayered clouds might potentially exist. The presence of a multilayered cloud results in a large difference in retrievals of above-cloud properties between the CO2 and the 0.94 micron methods. In this paper the MODIS multilayered cloud algorithm is described, results of using the algorithm over example scenes are shown, and global statistics for multilayered clouds as observed by MODIS are discussed. A theoretical study of the algorithm behavior for simulated multilayered clouds is also given. Results are compared to two other comparable passive imager methods. A set of standard cloudy atmospheric profiles developed during the course of this investigation is also presented. The results lead to the conclusion that the MODIS multilayer cloud detection algorithm has some skill in identifying multilayered clouds with different thermodynamic phases

  15. Size-dependent shifts of the Néel temperature and optical band-gap in NiO nanoparticles

    SciTech Connect

    Thota, Subhash E-mail: subhasht@iitg.ac.in; Shim, J. H.; Seehra, M. S. E-mail: subhasht@iitg.ac.in

    2013-12-07

    Bulk NiO is a well-known antiferromagnet with Neel temperature T{sub N}(∞) = 524 K and an optical band-gap E{sub g} = 4.3 eV. With decrease in particle size D from 40 nm to 4 nm of NiO, systematic changes of T{sub N} and E{sub g} are observed and discussed here. From magnetic measurements, the changes in T{sub N} with D are found to fit finite-size scaling equation T{sub N}(D) = T{sub N}(∞) [1 − (ξ{sub o}/D){sup λ}] with λ = 3.2 ± 0.5 and ξ{sub o} = 3.2 ± 0.2 nm, in good agreement with the predictions for a Heisenberg system. The observed blue shifts of E{sub g} with decrease in D reaching E{sub g} = 5.12 eV for D ∼ 4 nm are likely due to quantum confinement and non-stoichiometry.

  16. On the Use of Difference Bands for Modeling SF_6 Absorption in the 10μm Atmospheric Window

    NASA Astrophysics Data System (ADS)

    Faye, Mbaye; Manceron, Laurent; Roy, P.; Boudon, Vincent; Loete, Michel

    2016-06-01

    To model correctly the SF_6 atmospheric absorption requires the knowledge of the spectroscopic parameters of all states involved in the numerous hot bands in the 10,5μm atmospheric transparency window. However, due to their overlapping, a direct analysis of the hot bands near the 10,5μm absorption of SF_6 in the atmospheric window is not possible. It is necessary to use another strategy, gathering information in the far and mid infrared regions on initial and final states to compute the relevant total absorption. In this talk, we present new results from the analysis of spectra recorded at the AILES beamline at the SOLEIL Synchrotron facility. For these measurements, we used a IFS125HR interferometer combined with the synchrotron radiation in the 100-3200 wn range, coupled to a cryogenic multiple pass cell. The optical path length was varied from 45 to 141m with measuring temperatures between 223 and 153+/-5 K. The new information obtained on νb{2}+νb{4}-νb{5}, 2νb{5}-νb{6} and νb{3}+νb{6}-νb{4} allowed to derive improved parameters for νb{5}, 2νb{5} and νb{3}+νb{6}. In turn, they are used to model the more important νb{3}+νb{5}-νb{5} and νb{3}+νb{6}-νb{6} hot band contributions. By including these new parameters in the XTDS model, we substantially improved the SF_6 parameters used to model the atmosphere. F. Kwabia Tchana, F. Willaert, X. Landsheere, J. M. Flaud, L. Lago, M. Chapuis, P. Roy, L. Manceron. A new, low temperature long-pass cell for mid-IR to THz Spectroscopy and Synchrotron Radiation Use. Rev. Sci. Inst. 84, 093101, (2013) C. Wenger, V. Boudon, M. Rotger, M. Sanzharov, and J.-P. Champion,"XTDS and SPVIEW: Graphical tools for Analysis and Simulation of High Resolution Molecular Spectra", J. Mol. Spectrosc. 251, 102 (2008)

  17. A thermal broadening analysis of absorption spectra of the D1/D2/cytochrome b-559 complex in terms of Gaussian decomposition sub-bands.

    PubMed

    Cattaneo, R; Zucchelli, G; Garlaschi, F M; Finzi, L; Jennings, R C

    1995-11-21

    Absorption spectra of the isolated D1/D2/cytochrome b-559 complex have been measured in the temperature range 80-300 K. All spectra were analyzed in terms of a linear combination of Gaussian bands and the thermal broadening data interpreted in terms of a model in which the spectrum of each pigment site is broadened by (a) a homogeneous component due to linear electron-phonon coupling to a low-frequency protein vibration and (b) an inhomogeneous component associated with stochastic fluctuations at each pigment site. In order to obtain a numerically adequate description of the absorption spectra, a minimum number of five sub-bands is required. Further refinement of this sub-band description was achieved by taking into account published data from hole burning and absorption difference spectroscopy. In this way, both a six sub-band description and a seven sub-band description were generated. In arriving at the seven sub-band description, the original five sub-band wavelength positions were essentially unchanged. Thermal broadening analysis of the seven sub-band description yielded data which displayed the closest correspondence with the literature observations. The wavelength positions of the sub-bands were near 661, 667, 670, and 675 nm, with two bands near 680 and 684 nm. The two almost isoenergetic sub-bands near 680 nm, identified as P680 and pheophytin, have optical reorganization energies around 40 and 16 cm-1, respectively. All other sub-bands, identified as accessory pigments, have optical reorganization energies close to 16 cm-1.(ABSTRACT TRUNCATED AT 250 WORDS)

  18. Europa's ultraviolet absorption band (260 to 320 nm) - Temporal and spatial evidence from IUE

    NASA Technical Reports Server (NTRS)

    Ockert, Maureen E.; Nelson, Robert M.; Lane, Arthur L.; Matson, Dennis L.

    1987-01-01

    An analysis of 33 IUE UV spectra of Europa, obtained from 1978 to 1982 for orbital phase angles of 21 to 343 deg, confirms that the Lane et al. (1981) absorption feature, centered at 280 nm, is most clearly revealed when 223-333 deg orbital phase angle spectra are ratioed to those nearest 90 deg. The feature's strength is noted to have persisted over the 5-year period studied, suggesting that no large endogenically or exogenically generated changes in surface sulfur dioxide concentration have occurred. These results further substantiate the Lane et al. hypothesis that the feature is due to the implantation of Io plasma torus-derived sulfur ions on the Europa trailing side's water-ice surface.

  19. Optimizing organic photovoltaics using tailored heterojunctions: A photoinduced absorption study of oligothiophenes with low band gaps

    NASA Astrophysics Data System (ADS)

    Schueppel, R.; Schmidt, K.; Uhrich, C.; Schulze, K.; Wynands, D.; Brédas, J. L.; Brier, E.; Reinold, E.; Bu, H.-B.; Baeuerle, P.; Maennig, B.; Pfeiffer, M.; Leo, K.

    2008-02-01

    A power conversion efficiency of 3.4% with an open-circuit voltage of 1V was recently demonstrated in a thin film solar cell utilizing fullerene C60 as acceptor and a new acceptor-substituted oligothiophene with an optical gap of 1.77eV as donor [K. Schulze , Adv. Mater. (Weinheim, Ger.) 18, 2872 (2006)]. This prompted us to systematically study the energy- and electron transfer processes at the oligothiophene:fullerene heterojunction for a homologous series of these oligothiophenes. Cyclic voltammetry and ultraviolet photoelectron spectroscopy data show that the heterojunction is modified due to tuning of the highest occupied molecular orbital energy for different oligothiophene chain lengths, while the lowest unoccupied molecular orbital energy remains essentially fixed due to the presence of electron-withdrawing end groups (dicyanovinyl) attached to the oligothiophene. Use of photoinduced absorption (PA) allows the study of the electron transfer process at the heterojunction to C60 . Quantum-chemical calculations performed at the density functional theory and/or time-dependent density functional theory level and cation absorption spectra of diluted DCVnT provide an unambiguous identification of the transitions observed in the PA spectra. Upon increasing the effective energy gap of the donor-acceptor pair by increasing the ionization energy of the donor, photoinduced electron transfer is eventually replaced with energy transfer, which alters the photovoltaic operation conditions. The optimum open-circuit voltage of a solar cell is thus a trade-off between efficient charge separation at the interface and maximized effective gap. It appears that the open-circuit voltages of 1.0-1.1V in our solar cell devices have reached an optimum since higher voltages result in a loss in charge separation efficiency.

  20. Energy conversion within infrared plasmonic absorption metamaterials for multi-band resonance

    NASA Astrophysics Data System (ADS)

    Li, Yongqian; Su, Lei; Xu, Xiaolun; Zhang, Chenglin; Wang, Binbin

    2015-05-01

    The energy conversion within the cross-shaped plasmonic absorber metamaterials (PAM) was investigated theoretically and numerically in the infrared range based on the Poynting's theorem of electromagnetic energy. From the microscopic details, the heat generation owing to the electric current accounts for the majority of the energy conversion, while the magnetic resonance plays a negligible role. The PAMs possess three distinct resonant peaks standing independently, which are attributed to the polarization sensitive excitation of plasmonic resonance. Field redistribution and enhancement associated with multiplex resonant electromagnetic wave passing through the PAM medium provided insight into the energy conversion processes inside the nanostructure. The research results will assist the design of novel plasmon enhanced infrared detectors with multiple-band detection.

  1. Colourimetric and fluorescent detection of oxalate in water by a new macrocycle-based dinuclear nickel complex: a remarkable red shift of the fluorescence band.

    PubMed

    Rhaman, Md Mhahabubur; Fronczek, Frank R; Powell, Douglas R; Hossain, Md Alamgir

    2014-03-28

    A new macrocycle-based dinuclear nickel chemosensor selectively binds oxalate anions both in solution and the solid state, displaying a remarkable red shift of the fluorescence band with a visible colour change in water at physiological pH in the presence of an external dye.

  2. Thermodynamic consequence of the new attribution of bands in the electronic absorption spectrum of electron donor-iodine-solvent systems

    NASA Astrophysics Data System (ADS)

    Abramov, Sergey P.

    1999-06-01

    The subject review pays attention to the peculiarities in behaviour of bands in the electronic absorption spectra of electron donor-iodine-solvent systems, the appearance of which is associated with the intermolecular interaction of molecular iodine with electron donor organic molecules. The new concept of the bands’ attribution to the isomeric equilibrium molecular charge-transfer complexes (CTCs) of CTC-I and CTC-II types is considered. The features of possible phase transitions in the solid state are discussed on the basis of the thermodynamic properties and electronic structures of the CTC-I and CTC-II in electron donor-iodine-solvent systems. The stabilisation of the CTC-II structure with the temperature lowering coincided in many cases with the electrons’ localisation in the solid state structures having charge-transfer bonds.

  3. Depolarisation of light scattered by disperse systems of low-dimensional potassium polytitanate nanoparticles in the fundamental absorption band

    SciTech Connect

    Zimnyakov, D A; Yuvchenko, S A; Pravdin, A B; Kochubey, V I; Gorokhovsky, A V; Tretyachenko, E V; Kunitsky, A I

    2014-07-31

    The results of experimental studies of depolarising properties of disperse systems on the basis of potassium polytitanate nanoplatelets and nanoribbons in the visible and near-UV spectral regions are presented. It is shown that in the fundamental absorption band of the nanoparticle material the increase in the depolarisation factor takes place for the radiation scattered perpendicularly to the direction of the probing beam. For nanoribbons a pronounced peak of depolarisation is observed, which is caused by the essential anisotropy of the particles shape and the peculiarities of the behaviour of the material dielectric function. The empirical data are compared with the theoretical results for 'nanodiscs' and 'nanoneedles' with the model dielectric function, corresponding to that obtained from optical constants of the titanium dioxide dielectric function. (laser biophotonics)

  4. Is a pyrene-like molecular ion the cause of the 4,430-A diffuse interstellar absorption band?

    NASA Technical Reports Server (NTRS)

    Salama, F.; Allamandola, L. J.

    1992-01-01

    The diffuse interstellar band (DIB) absorption features of astronomical spectra are suggested by recent results to be separable from the grains that cause visual extinction. Attention is presently given to laboratory measurements of the optical spectrum of the pyrene cation C16H10(+), which is one of the polycyclic aromatic hydrocarbon (PAH) molecular candidates proposed as carriers for DIBs. This ion exhibits an intense but strangely broad continuum similar to that of the naphthalene cation, so that this may be a common feature of all PAH cations and the basis of an explanation for PAHs' converting of an interstellar radiation fraction as large as that from the UV and visible range down to the IR.

  5. Comparison of line-by-line and band models of near-IR methane absorption applied to outer planet atmospheres

    NASA Astrophysics Data System (ADS)

    Sromovsky, L. A.; Fry, P. M.; Boudon, V.; Campargue, A.; Nikitin, A.

    2012-03-01

    Recent improvements in high spectral resolution measurements of methane absorption at wavenumbers between 4800 cm-1 and 7919 cm-1 have greatly increased the number of lines with known lower state energies, the number of weak lines, and the number of lines observed at low temperatures (Campargue, A., Wang, L., Kassi, S., Mašát, M., Votava, O. [2010]. J. Quant. Spectrosc. Radiat. Trans. 111, 1141-1151; Campargue, A., Wang, L., Liu, A.W., Hu, S.M., Kassi, S. [2010]. Chem. Phys. 373, 203-210; Mondelain, D., Kassi, S., Wang, L.C. [2011]. Phys. Chem. Chem. Phys. 13, 7985-7996; Nikitin, A.V. et al. [2011a]. J. Mol. Spectrosc. 268, 93-106; Nikitin, A.V. et al. [2010]. J. Quant. Spectrosc. Radiat. Trans. 111, 2211-2224; Wang, L., Kassi, S., Campargue, A. [2010]. J. Quant. Spectrosc. Radiat. Trans. 111, 1130-1140; Wang, L., Kassi, S., Liu, A.W., Hu, S.M., Campargue, A. [2011]. J. Quant. Spectrosc. Radiat. Trans. 112, 937-951), making it possible to fit near-IR spectra of Titan using line-by-line calculations instead of band models (Bailey, J., Ahlsved, L., Meadows, V.S. [2011]. Icarus 213, 218-232; de Bergh, C. et al. [2011]. Planet. Space Sci. doi:10.1016/j.pss.2011.05.003). Using these new results, we compiled an improved line list relative that used by Bailey et al. by updating several spectral regions with either calculated or more recently measured line parameters, revising lower state energy estimates for lines lacking them, and adding room temperature lines to make the list applicable over a wider range of temperatures. We compared current band models with line-by-line calculations using this new line list, both to assess the behavior of band models, and to identify remaining issues with line-by-line calculations when applied to outer planet atmospheres and over a wider range of wavelengths. Comparisons were made for a selection of uniform paths representing outer planet conditions and for representative non-uniform paths within the atmospheres of Uranus, Saturn

  6. Incoherent broad-band cavity-enhanced absorption spectroscopy of the marine boundary layer species I2, IO and OIO.

    PubMed

    Vaughan, Stewart; Gherman, Titus; Ruth, Albert A; Orphal, Johannes

    2008-08-14

    The novel combination of incoherent broad-band cavity-enhanced absorption spectroscopy (IBBCEAS) and a discharge-flow tube for the study of three key atmospheric trace species, I(2), IO and OIO, is reported. Absorption measurements of I(2) and OIO at lambda=525-555 nm and IO at lambda=420-460 nm were made using a compact cavity-enhanced spectrometer employing a 150 W short-arc Xenon lamp. The use of a flow system allowed the monitoring of the chemically short-lived radical species IO and OIO to be conducted over timescales of several seconds. We report detection limits of approximately 26 pmol mol(-1) for I(2) (L=81 cm, acquisition time 60 s), approximately 45 pmol mol(-1) for OIO (L=42.5 cm, acquisition time 5 s) and approximately 210 pmol mol(-1) for IO (L=70 cm, acquisition time 60 s), demonstrating the usefulness of this approach for monitoring these important species in both laboratory studies and field campaigns.

  7. Anomalous band gap behavior in mixed Sn and Pb perovskites enables broadening of absorption spectrum in solar cells.

    PubMed

    Hao, Feng; Stoumpos, Constantinos C; Chang, Robert P H; Kanatzidis, Mercouri G

    2014-06-04

    Perovskite-based solar cells have recently been catapulted to the cutting edge of thin-film photovoltaic research and development because of their promise for high-power conversion efficiencies and ease of fabrication. Two types of generic perovskites compounds have been used in cell fabrication: either Pb- or Sn-based. Here, we describe the performance of perovskite solar cells based on alloyed perovskite solid solutions of methylammonium tin iodide and its lead analogue (CH3NH3Sn(1-x)Pb(x)I3). We exploit the fact that, the energy band gaps of the mixed Pb/Sn compounds do not follow a linear trend (the Vegard's law) in between these two extremes of 1.55 and 1.35 eV, respectively, but have narrower bandgap (<1.3 eV), thus extending the light absorption into the near-infrared (~1,050 nm). A series of solution-processed solid-state photovoltaic devices using a mixture of organic spiro-OMeTAD/lithium bis(trifluoromethylsulfonyl)imide/pyridinium additives as hole transport layer were fabricated and studied as a function of Sn to Pb ratio. Our results show that CH3NH3Sn(0.5)Pb(0.5)I3 has the broadest light absorption and highest short-circuit photocurrent density ~20 mA cm(-2) (obtained under simulated full sunlight of 100 mW cm(-2)).

  8. The first UV absorption band for indole is not due to two simultaneous orthogonal electronic transitions differing in dipole moment.

    PubMed

    Catalán, Javier

    2015-05-21

    The currently accepted model for the photophysics of indole assumes that the first UV absorption band encompasses two orthogonal electronic transitions ((1)Lb and (1)La), leading to two electronic states with a markedly different dipole moment. However, there is a body of evidence not explained by this model, which led us to develop a new photophysical model for indole. Based on the new model, the polarity of the electronic ground state (S0) in indoles is very similar to that of the first electronic excited state (S1) producing this structured emission; however, this excited state can lead to a highly dipolar excited state (S1') with largely structureless emission under the influence of the polarity of the medium, and also, very likely, of its viscosity. The molecular structure of the new excited state can be reversibly converted into the normal structure of the compound. Previous observations were confirmed by the absorption, emission, and excitation spectra for indole, as well as by its polarized emission and excitation spectra in various media. Thus, the polarized emission spectra for indole in glycerol at 283 K and 223 K showed the transition dipole moments for the emission from the first two excited states in a polar medium, S1 and S1', to differ by less than 20°.

  9. The Fundamental Quadrupole Band of (14)N2: Line Positions from High-Resolution Stratospheric Solar Absorption Spectra

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Zander, R.; Goldman, A.; Murcray, F. J.; Murcray, D. G.; Grunson, M. R.; Farmer, C. B.

    1991-01-01

    The purpose of this note is to report accurate measurements of the positions of O- and S-branch lines of the (1-0) vibration-rotation quadrupole band of molecular nitrogen ((14)N2) and improved Dunham coefficients derived from a simultaneous least-squares analysis of these measurements and selected infrared and far infrared data taken from the literature. The new measurements have been derived from stratospheric solar occultation spectra recorded with Fourier transform spectrometer (FTS) instruments operated at unapodized spectral resolutions of 0.002 and 0.01 /cm. The motivation for the present investigation is the need for improved N2 line parameters for use in IR atmospheric remote sensing investigations. The S branch of the N2 (1-0) quadrupole band is ideal for calibrating the line-of-sight airmasses of atmospheric spectra since the strongest lines are well placed in an atmospheric window, their absorption is relatively insensitive to temperature and is moderately strong (typical line center depths of 10 to 50% in high-resolution ground-based solar spectra and in lower stratospheric solar occultation spectra), and the volume mixing ratio of nitrogen is constant in the atmosphere and well known. However, a recent investigation has'shown the need to improve the accuracies of the N2 fine positions, intensities, air-broadened half-widths, and their temperature dependences to fully exploit this calibration capability (1). The present investigation addresses the problem of improving the accuracy of the N2 line positions.

  10. Visible-band (390-940nm) monitoring of the Pluto absorption spectrum during the New Horizons encounter

    NASA Astrophysics Data System (ADS)

    Smith, Robert J.; Marchant, Jonathan M.

    2015-11-01

    Whilst Earth-based observations obviously cannot compete with New Horizons’ on-board instrumentation in most regards, the New Horizons data set is essentially a snapshot of Pluto in July 2015. The New Horizons project team therefore coordinated a broad international observing campaign to provide temporal context and to take advantage of the once-in-a-lifetime opportunity to directly link our Earth-based view of Pluto with “ground truth” provided by in situ measurements. This both adds value to existing archival data sets and forms the basis of long term, monitoring as we watch Pluto recede from the Sun over the coming years. We present visible-band (390-940nm) monitoring of the Pluto absorption spectrum over the period July - October 2015 from the Liverpool Telescope (LT). In particular we wished to understand the well-known 6-day fluctuation in the methane ice absorption spectrum which is observable from Earth in relation to the never-before-available high resolution maps of the Pluto surface. The LT is a fully robotic 2.0m optical telescope that automatically and dynamically schedules observations across 30+ observing programmes with a broad instrument suite. It is ideal for both reactive response to dynamic events (such as the fly-by) and long term, stable monitoring with timing constraints individually optimised to the science requirements of each programme. For example past studies of the observed CH4 absorption variability have yielded ambiguity of whether they were caused by real physical changes or geometric observation constraints, in large part because of the uneven time sampling imposed by traditional telescope scheduling.

  11. Ultrafast Time-Resolved Emission and Absorption Spectra of meso-Pyridyl Porphyrins upon Soret Band Excitation Studied by Fluorescence Up-Conversion and Transient Absorption Spectroscopy.

    PubMed

    Venkatesh, Yeduru; Venkatesan, M; Ramakrishna, B; Bangal, Prakriti Ranjan

    2016-09-08

    A comprehensive study of ultrafast molecular relaxation processes of isomeric meso-(pyridyl) porphyrins (TpyPs) has been carried out by using femtosecond time-resolved emission and absorption spectroscopic techniques upon pumping at 400 nm, Soret band (B band or S2), in 4:1 dichloromethane (DCM) and tetrahydrofuran (THF) solvent mixture. By combined studies of fluorescence up-conversion, time-correlated single photon counting, and transient absorption spectroscopic techniques, a complete model with different microscopic rate constants associated with elementary processes involved in electronic manifolds has been reported. Besides, a distinct coherent nuclear wave packet motion in Qy state is observed at low-frequency mode, ca. 26 cm(-1) region. Fluorescence up-conversion studies constitute ultrafast time-resolved emission spectra (TRES) over the whole emission range (430-710 nm) starting from S2 state to Qx state via Qy state. Careful analysis of time profiles of up-converted signals at different emission wavelengths helps to reveal detail molecular dynamics. The observed lifetimes are as indicated: A very fast decay component with 80 ± 20 fs observed at ∼435 nm is assigned to the lifetime of S2 (B) state, whereas being a rise component in the region of between 550 and 710 nm emission wavelength pertaining to Qy and Qx states, it is attributed to very fast internal conversion (IC) occurring from B → Qy and B → Qx as well. Two distinct components of Qy emission decay with ∼200-300 fs and ∼1-1.5 ps time constants are due to intramolecular vibrational redistribution (IVR) induced by solute-solvent inelastic collisions and vibrational redistribution induced by solute-solvent elastic collision, respectively. The weighted average of these two decay components is assigned as the characteristic lifetime of Qy, and it ranges between 0.3 and 0.5 ps. An additional ∼20 ± 2 ps rise component is observed in Qx emission, and it is assigned to the formation time of

  12. Study of band inversion in the PbxSn1-xTe class of topological crystalline insulators using x-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Mitrofanov, K. V.; Kolobov, A. V.; Fons, P.; Krbal, M.; Tominaga, J.; Uruga, T.

    2014-11-01

    PbxSn1-xTe and PbxSn1-xSe crystals belong to the class of topological crystalline insulators where topological protection is achieved due to crystal symmetry rather than time-reversal symmetry. In this work, we make use of selection rules in the x-ray absorption process to experimentally detect band inversion along the PbTe(Se)-SnTe(Se) tie-lines. The observed significant change in the ratio of intensities of L1 and L3 transitions along the tie-line demonstrates that x-ray absorption can be a useful tool to study band inversion in topological insulators.

  13. Air-broadened Lorentz halfwidths and pressure-induced line shifts in the nu(4) band of C-13H4

    NASA Technical Reports Server (NTRS)

    Devi, V. Malathy; Benner, D. Chris; Rinsland, Curtis P.; Smith, Mary Ann H.

    1988-01-01

    Air-broadened halfwidths and pressure-induced line shifts in the nu(4) fundamental of C-13H4 were determined from spectra recorded at room temperature and at 0.01/cm resolution using a Fourier transform spectrometer. Halfwidths and pressure shifts were determined for over 180 transitions belonging to J-double prime values of less than or = to 16. Comparisons of air-broadened halfwidths and pressure-induced line shifts made for identical transitions in the nu(4) bands of C-12H4 and C-13H4 have shown that C-13H4 air-broadened halfwidths are about 5 percent smaller than the corresponding C-12H4 halfwidths, and the pressure shifts for C-13H4 lines are about 5-15 percent larger than those for C-12H4.

  14. Stark shift of the absorption spectra in Ge/Ge1-xSnx/Ge type-I single QW cell for mid-wavelength infra-red modulators

    NASA Astrophysics Data System (ADS)

    Yahyaoui, N.; Sfina, N.; Lazzari, J.-L.; Bournel, A.; Said, M.

    2015-09-01

    For mid-wavelength infra-red (MWIR) modulation or detection applications, we propose α-Sn rich Ge/Ge1-xSnx/Ge a type-I single quantum wells (SQW) partially strain compensated on Ge1-ySny relaxed layers grown onto (0 0 1)-oriented Ge substrate. Such elementary cells with W-like potential profiles of conduction and valence bands have been modeled by solving the one-dimensional Schrödinger equation under an applied external electrical field. First, strain effects on electrons, heavy holes (hh) and light holes (lh) energy bands for strained/relaxed Ge1-xSnx/Ge1-ySny heterointerfaces are investigated using the model-solid theory in the whole ranges (0 ⩽ x, y ⩽ 1) of Sn compositions. From the obtained band-discontinuities, band gaps and effective masses, Ge1-ySny/Ge/Ge0.80Sn0.20/Ge/Ge1-ySny cells are computed as a function of the Ge0.80Sn0.20 well width for three compositions of the Ge1-ySny buffer layer (y = 0.05, 0.07 and 0.09) in order to get the optimum quantum confinement of electrons and holes levels while keeping a reasonable amount of averaged strain in the cell. The electric field effect on the absorption spectra is given. An absorption coefficient in the 6× to 3 × 103 cm-1 range is reasonably obtained for a SQW at room temperature with a rather large Stark shift of the direct transition between 0.46 and 0.38 eV (i.e., λ = 3.26-2.70 μm) at large external fields (50 kV/cm). These characteristics are attractive for the design of MWIR optical modulators.

  15. A 2x2 W-Band Reference Time-Shifted Phase-Locked Transmitter Array in 65nm CMOS Technology

    NASA Technical Reports Server (NTRS)

    Tang, Adrian; Virbila, Gabriel; Hsiao, Frank; Wu, Hao; Murphy, David; Mehdi, Imran; Siegel, P. H.; Chang, M-C. Frank

    2013-01-01

    This paper presents a complete 2x2 phased array transmitter system operating at W-band (90-95 GHz) which employs a PLL reference time-shifting approach instead of using traditional mm-wave phase shifters. PLL reference shifting enables a phased array to be distributed over multiple chips without the need for coherent mm-wave signal distribution between chips. The proposed phased array transmitter system consumes 248 mW per array element when implemented in a 65 nm CMOS technology.

  16. Room-temperature Broadening and Pressure-shift Coefficients in the nu(exp 2) Band of CH3D-O2: Measurements and Semi-classical Calculations

    NASA Technical Reports Server (NTRS)

    Predoi-Cross, Adriana; Hambrook, Kyle; Brawley-Tremblay, Shannon; Bouanich, Jean-Pierre; Devi, V. Malathy; Smith, Mary Ann H.

    2006-01-01

    We report measured Lorentz O2-broadening and O2-induced pressure-shift coefficients of CH3D in the nu(exp 2) fundamental band. Using a multispectrum fitting technique we have analyzed 11 laboratory absorption spectra recorded at 0.011 cm(exp 1) resolution using the McMath-Pierce Fourier transform spectrometer, Kitt Peak, Arizona. Two absorption cells with path lengths of 10.2 and 25 cm were used to record the spectra. The total sample pressures ranged from 0.98 to 339.85 Torr with CH3D volume mixing ratios of 0.012 in oxygen. We report measurements for O2 pressure-broadening coefficients of 320 nu(exp 2) transitions with quantum numbers as high as J0(sup w) = 17 and K = 14, where K(sup w) = K' is equivalent to K (for a parallel band). The measured O2-broadening coefficients range from 0.0153 to 0.0645 cm(exp -1) atm(exp -1) at 296 K. All the measured pressure-shifts are negative. The reported O2-induced pressure-shift coefficients vary from about -0.0017 to -0.0068 cm(exp -1) atm(exp -1). We have examined the dependence of the measured broadening and shift parameters on the J(sup W), and K quantum numbers and also developed empirical expressions to describe the broadening coefficients in terms of m (m = -J(sup W), J(sup W), and J(sup w) + 1 in the QP-, QQ-, and QR-branch, respectively) and K. On average, the empirical expressions reproduce the measured broadening coefficients to within 4.4%. The O2-broadening and pressure shift coefficients were calculated on the basis of a semiclassical model of interacting linear molecules performed by considering in addition to the electrostatic contributions the atom-atom Lennard-Jones potential. The theoretical results of the broadening coefficients are generally larger than the experimental data. Using for the trajectory model an isotropic Lennard-Jones potential derived from molecular parameters instead of the spherical average of the atom-atom model, a better agreement is obtained with these data, especially for |m| <= 12

  17. Improved Experimental Line Positions for the (1,1) Band of the b 1Σ+ - X 3Σ- Transition of O2 by Intracavity Laser Absorption Spectroscopy

    NASA Astrophysics Data System (ADS)

    O'Brien, Leah C.; O'Brien, Emily C.; O'Brien, James J.

    2012-06-01

    We report improved experimental line positions for the (1,1) band of the b 1Σ+ - X 3Σ- transition of O2. Results are comparised with previous experimental measurements and predicted values. Additionally, a new method of producing vibrationally hot molecules for use in absorption spectroscopy of stable gas phase molecules is described.

  18. Threshold Shifts and Cochlear Injury in Chinchillas Exposed to Octave Bands of Noise Centered at 63 and 1000 HZ for 9 Days,

    DTIC Science & Technology

    1982-10-01

    2.0 kHz. The 1000-Hz octave bands produced more permanent threshold shift at the lower 33 %.. . %. , Ic CV) 1 00 EuG LLS) 2C C LJ5- 0o x ezw CA OJ...Officer Commander Naval Medical R&D Command US Army Transportation School National Naval Medical Center ATTN: ATSPoTD-ST Bethesda, 1D 20014 (1) Fort

  19. o-nitrobenzyl photolabile protecting groups with red-shifted absorption: syntheses and uncaging cross-sections for one- and two-photon excitation.

    PubMed

    Aujard, Isabelle; Benbrahim, Chouaha; Gouget, Marine; Ruel, Odile; Baudin, Jean-Bernard; Neveu, Pierre; Jullien, Ludovic

    2006-09-06

    We evaluated the o-nitrobenzyl platform for designing photolabile protecting groups with red-shifted absorption that could be photolyzed upon one- and two-photon excitation. Several synthetic pathways to build different conjugated o-nitrobenzyl backbones, as well as to vary the benzylic position, are reported. Relative to the reference 4,5-dimethoxy-2-nitrobenzyl group, several o-nitrobenzyl derivatives exhibit a large and red-shifted one-photon absorption within the near-UV range. Uncaging after one-photon excitation was studied by measuring UV-visible absorption and steady-state fluorescence emission on model caged ethers and esters. In the whole series investigated, the caged substrates were released cleanly upon photolysis. Quantum yields of uncaging after one-photon absorption lie within the 0.1-1 % range. We observed that these drop as the maximum wavelength absorption of the o-nitrobenzyl protecting group is increased. A new method based on fluorescence correlation spectroscopy (FCS) after two-photon excitation was used to measure the action uncaging cross section for two-photon excitation. The series of o-nitrobenzyl caged fluorescent coumarins investigated exhibit values within the 0.1-0.01 Goeppert-Mayer (GM) range. Such results are in line with the low quantum yields of uncaging associated with cross-sections of 1-50 GM for two-photon absorption. Although the cross-sections for one- and two-photon absorption of o-nitrobenzyl photolabile protecting groups can be readily improved, we emphasize the difficulty in enlarging the corresponding action uncaging cross-sections in view of the observed trend of their quantum yield of uncaging.

  20. Collision-Induced Absorption by H2 Pairs in the Second Overtone Band at 298 and 77.5 K: Comparison between Experimental and Theoretical Results

    NASA Technical Reports Server (NTRS)

    Brodbeck, C.; Bouanich, J.-P.; van-Thanh, Nguyen; Fu, Y.; Borysow, A.

    1999-01-01

    The collision-induced spectra of hydrogen in the region of the second overtone at 0.8 microns have been recorded at temperatures of 298 and 77.5 K and for gas densities ranging from 100 to 800 amagats. The spectral profile defined by the absorption coefficient per squared density varies significantly with the density, so that the binary absorption coefficient has been determined by extrapolations to zero density of the measured profiles. Our extrapolated measurements and our recent ab initio quantum calculation are in relatively good agreement with one another. Taking into account the very weak absorption of the second overtone band, the agreement is, however, not as good as it has become (our) standard for strong bands.

  1. Microwave-assisted synthesis of graphene-Ni composites with enhanced microwave absorption properties in Ku-band

    NASA Astrophysics Data System (ADS)

    Zhu, Zetao; Sun, Xin; Li, Guoxian; Xue, Hairong; Guo, Hu; Fan, Xiaoli; Pan, Xuchen; He, Jianping

    2015-03-01

    Recently, graphene has been applied as a new microwave absorber because of its high dielectric loss and low density. Nevertheless, the high dielectric constant of pristine graphene has caused unbalanced electromagnetic parameters and results in a bad impedance matching characteristic. In this study, we report a facile microwave-assisted heating approach to produce reduced graphene oxide-nickel (RGO-Ni) composites. The phase and morphology of as-synthesized RGO-Ni composites are characterized by XRD, Raman, FESEM and TEM. The results show that Ni nanoparticles with a diameter around 20 nm are grown densely and uniformly on the RGO sheets. In addition, enhanced microwave absorption properties in Ku-band of RGO-Ni composites is mainly due to the synergistic effect of dielectric loss and magnetic loss and the dramatically electron polarizations caused by the formation of large conductive network. The minimum reflection loss of RGO-Ni-2 composite with the thickness of 2 mm can reaches -42 dB at 17.6 GHz. The RGO-Ni composite is an attractive candidate for the new type of high performance microwave absorbing material.

  2. High resolution absorption cross sections in the transmission window region of the Schumann-Runge bands and Herzberg continuum of O2

    NASA Technical Reports Server (NTRS)

    Yoshino, K.; Esmond, J. R.; Cheung, A. S.-C.; Freeman, D. E.; Parkinson, W. H.

    1992-01-01

    Results are presented on measurements, conducted in the wavelength region 180-195 nm, and at different pressures of oxygen (between 2.5-760 torr) in order to separate the pressure-dependent absorption from the main cross sections, of the absorption cross sections of the Schumann-Runge bands in the window region between the rotational lines of S-R bands of O2. The present cross sections supersede the earlier published cross sections (Yoshino et al., 1983). The combined cross sections are presented graphically; they are available at wavenumber intervals of about 0.1/cm from the National Space Science Data Center. The Herzberg continuum cross sections are derived after subtracting calculated contributions from the Schumann-Runge bands. These are significantly smaller than any previous measurements.

  3. Influence of the nature of the absorption band on the potential performance of high molar extinction coefficient ruthenium(II) polypyridinic complexes as dyes for sensitized solar cells.

    PubMed

    Gajardo, Francisco; Barrera, Mauricio; Vargas, Ricardo; Crivelli, Irma; Loeb, Barbara

    2011-07-04

    When tested in solar cells, ruthenium polypyridinic dyes with extended π systems show an enhanced light-harvesting capacity that is not necessarily reflected by a high (collected electrons)/(absorbed photons) ratio. Provided that metal-to-ligand charge transfer bands, MLCT, are more effective, due to their directionality, than intraligand (IL) π-π* bands for the electron injection process in the solar cell, it seems important to explore and clarify the nature of the absorption bands present in these types of dyes. This article aims to elucidate if all the absorbed photons of these dyes are potentially useful in the generation of electric current. In other words, their potentiality as dyes must also be analyzed from the point of view of their contribution to the generation of excited states potentially useful for direct injection. Focusing on the assignment of the absorption bands and the nature of the emitting state, a systematic study for a series of ruthenium complexes with 4,4'-distyryl-2,2'-dipyridine (LH) and 4,4'-bis[p-(dimethylamino)-α-styryl]-2,2'-bipyridine (LNMe(2)) "chromophoric" ligands was undertaken. The observed experimental results were complemented with TDDFT calculations to elucidate the nature of the absorption bands, and a theoretical model was proposed to predict the available energy that could be injected from a singlet or a triplet excited state. For the series studied, the results indicate that the percentage of MLCT character to the anchored ligand for the lower energy absorption band follows the order [Ru(deebpy)(2)(LNMe(2))](PF(6))(2) > [Ru(deebpy)(2)(LH)](PF(6))(2) > [Ru(deebpy)(LH)(2)](PF(6))(2), where deebpy is 4,4'-bis(ethoxycarbonyl)-2,2'-bipyridine, predicting that, at least from this point of view, their efficiency as dyes should follow the same trend.

  4. Dynamically tuning emission band of CdSe/ZnS quantum dots assembled on Ag nanorod array: plasmon-enhanced Stark shift.

    PubMed

    Peng, Xiao-Niu; Zhou, Zhang-Kai; Zhang, Wei; Hao, Zhong-Hua

    2011-11-21

    We demonstrate tuning emission band of CdSe/ZnS semiconductor quantum dots (SQDs) closely-packed in the proximity of Ag nanorod array by dynamically adjusting exciton-plasmon interaction. Large red-shift is observed in two-photon luminescence (TPL) spectra of the SQDs when the longitudinal surface plasmon resonance (LSPR) of Ag nanorod array is adjusted to close to excitation laser wavelength, and the spectral red-shift of TPL reaches as large as 101 meV by increasing excitation power, which is slightly larger than full width at half-maximum of emission spectrum of the SQDs. The observed LSPR-dependent spectral shifting behaviors are explained by a theoretical model of plasmon-enhanced quantum-confined Stark effect. These observations could find the applications in dynamical information processing in active plasmonic and photonic nanodevices.

  5. Spectral anomalies of the light-induced drift effect caused by the velocity dependence of the collision broadening and shift of the absorption line

    NASA Astrophysics Data System (ADS)

    Parkhomenko, A. I.; Shalagin, Anatolii M.

    2013-02-01

    We have theoretically investigated the spectral features of the light-induced drift (LID) effect, arising due to the dependence of the collision broadening γ and shift Δ of the absorption line on the velocity of resonance particles, ν. It is shown that under certain conditions, account of this dependence can radically change the spectral shape of the LID signal, up to the appearance of additional zeros in the dependence of the drift velocity on the radiation frequency.

  6. Spectral anomalies of the light-induced drift effect caused by the velocity dependence of the collision broadening and shift of the absorption line

    SciTech Connect

    Parkhomenko, A I; Shalagin, Anatolii M

    2013-02-28

    We have theoretically investigated the spectral features of the light-induced drift (LID) effect, arising due to the dependence of the collision broadening {gamma} and shift {Delta} of the absorption line on the velocity of resonance particles, {nu}. It is shown that under certain conditions, account of this dependence can radically change the spectral shape of the LID signal, up to the appearance of additional zeros in the dependence of the drift velocity on the radiation frequency. (nonlinear optical phenomena)

  7. Investigation of the optical-absorption bands of Nb4+ and Ti3+ in lithium niobate using magnetic circular dichroism and optically detected magnetic-resonance techniques

    NASA Astrophysics Data System (ADS)

    Reyher, H.-J.; Schulz, R.; Thiemann, O.

    1994-08-01

    The magnetic circular dichroism (MCD) of the absorption of Nb4+Li and Ti3+Li centers in LiNbO3 has been selectively measured by applying optically detected magnetic resonance. The attribution of a well-known broad and unstructured absorption band peaking at 1.6 eV to the Nb4+Li bound small polaron is now unambiguously confirmed. In the MCD spectrum of the isoelectronic Ti3+Li center, bands show up, which closely resemble the MCD bands at 1.6 eV of this bound small polaron. This striking similarity is explained by a cluster model, representing both defects. Either TiLi or NbLi is at the center of this cluster. In both cases, the small polaron is bound to the cluster, and its MCD bands correspond to intervalence transfer transitions within the constituents of the cluster. A study of the spin-orbit coupling of the molecular orbitals of the cluster allows one to analyze the structure of the MCD bands at 2.9 eV of Ti3+Li have no counterpart in the Nb4+Li spectrum. These bands are assigned to transitions to excited states, which are specific to the impurity and are related to the 10Dq transitions known for the crystal field states of a d1 ion.

  8. Self-absorption theory applied to rocket measurements of the nitric oxide (1,0)[gamma] band in the daytime thermosphere

    SciTech Connect

    Eparvier, F.G.; Barth, C.A. )

    1992-09-01

    Sounding rocket observations of the ultraviolet fluorescent emissions of the nitric oxide molecule in the lower thermospheric dayglow are described and analyzed. The rocket experiment was an ultraviolet spectrometer which took limb-viewing spectra of the dayglow between 90- and 185- km altitude in the spectral region from 2120 to 2505 [angstrom] with a resolution of 2.0 [angstrom]. The flight occurred at local noon on March 7, 1989, from Poker Flat, Alaska. Several NO[gamma] bands were visible at all altitudes of the flight, along with emission features of N[sub 2], O[sup +], and N[sup +]. The data for the NO (1,0) and (0,1)[gamma] bands were modeled with optically thin synthetic spectra and used as diagnostics of nitric oxide concentrations. The resonant NO (1,0)[gamma] band emissions were shown to be attenuated at low altitudes relative to the expected emission rates predicted from comparison with the nonresonant (0,1)[gamma] band. Inversion of the optically thin data resulted in a peak nitric oxide concentration of 3.1x10[sup 8] cm[sup [minus]3] at an altitude of 100km. A self-absorption model using Holstein transmission functions was developed and applied to the (1,0) [gamma] band observation. The model results agree with the measured attenuation of the band, indicating the necessity of including self-absorption theory in the analysis of satellite and rocket limb data of NO. The success of the model also confirms the value adopted for the absorption oscillator strength of the (1,0)[gamma] band transition and the instrument calibration.

  9. Hydrogen bonding between acetate-based ionic liquids and water: Three types of IR absorption peaks and NMR chemical shifts change upon dilution

    NASA Astrophysics Data System (ADS)

    Chen, Yu; Cao, Yuanyuan; Zhang, Yuwei; Mu, Tiancheng

    2014-01-01

    The hydrogen-bonding interaction between acetate-based ionic liquids (AcIL) and water was investigated by attenuated total reflection infrared (ATR-IR) and 1H NMR. Interestingly, the relative change of chemical shift δ of 1H NMR upon dilution could be divided into three regions. All the H show an upfield shift in Regions 1 and 2 while a different tendency in Region 3 (upfield, no, and downfield shift classified as Types 1, 2, 3, respectively). For ATR-IR, the red, no, or blue shift of νOD (IR absorption peak of OD in D2O) and ν± (IR absorption peak of AcILs) also have three types, respectively. Two-Times Explosion Mechanism (TTEM) was proposed to interpret the dynamic processes of AcILs upon dilution macroscopically, meanwhile an Inferior Spring Model (ISM) was proposed to help to understand the TTEM microscopically, All those indicate that AcILs present the state of network, sub-network, cluster, sub-cluster, ion pairs and sub-ion pairs in sequence upon dilution by water and the elongation of hydrogen bonding between AcILs-water, between cation-anion of AcILs is plastic deformation rather than elastic deformation.

  10. Analysis of Mars surface hydration through the MEx/OMEGA observation of the 3 μm absorption band.

    NASA Astrophysics Data System (ADS)

    Jouglet, D.; Poulet, F.; Bibring, J. P.; Langevin, Y.; Gondet, B.; Milliken, R. E.; Mustard, J. F.

    The near infrared Mars surface global mapping done by OMEGA gives the first opportunity to study the global and detailed characteristics of the 3µm hydration absorption band on Mars surface. This feature is indistinctly due to bending and stretching vibrations of water bound in minerals or adsorbed at their surface, and of hydroxyl groups (for a review, see e.g. [1] or [2]). Its study may give new elements to determine the geologic and climatic past of Mars, and may put new constrain about the current water cycle of Mars. OMEGA data are processed in a pipeline that converts raw data to radiance, removes atmospheric effects and gets I/F. Specific data reduction scheme has been developed to assess temperature of OMEGA spectra at 5 µm and to remove their thermal part so as to get the albedo from 1.µm to 5.1µm ([2]). Two methods, the Integrated Band Depth and the water content based on comparison with laboratory measures of Yen et al. ([3]), have been used to assess the 3µm band depth. These two methods where applied to OMEGA spectra acquired at a nominal calibration level and not exhibiting water ice features. This corresponds to approximately 35 million spectra ([2]). The data processed show the presence of this absorption feature overall the Martian surface, which could be explained by the presence of adsorbed water up to 1% water mass percentage ([4]) and by rinds or coating resulting from weathering (see e.g. [5] or [6]). A possible increase of hydration with albedo is discussed so as to discriminate between the albedo-dependence of the method and hydration variations. Terrains enriched in phyllosilicates ([7]), sulfates ([8]) or hydroxides exhibit an increased hydration at 3 µm. This terrains show that the 3 µm band can bring additional information about composition, for example by observing a variation in the shape of the band. A decrease of hydration with elevation is observed on the processed data independently of the value of albedo. This correlation

  11. Highly vibrationally excited O2 molecules in low-pressure inductively-coupled plasmas detected by high sensitivity ultra-broad-band optical absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Foucher, Mickaël; Marinov, Daniil; Carbone, Emile; Chabert, Pascal; Booth, Jean-Paul

    2015-08-01

    Inductively-coupled plasmas in pure O2 (at pressures of 5-80 mTorr and radiofrequency power up to 500 W) were studied by optical absorption spectroscopy over the spectral range 200-450 nm, showing the presence of highly vibrationally excited O2 molecules (up to vʺ = 18) by Schumann-Runge band absorption. Analysis of the relative band intensities indicates a vibrational temperature up to 10,000 K, but these hot molecules only represent a fraction of the total O2 density. By analysing the (11-0) band at higher spectral resolution the O2 rotational temperature was also determined, and was found to increase with both pressure and power, reaching 900 K at 80 mTorr 500 W. These measurements were achieved using a new high-sensitivity ultra-broad-band absorption spectroscopy setup, based on a laser-plasma light source, achromatic optics and an aberration-corrected spectrograph. This setup allows the measurement of weak broadband absorbances due to a baseline variability lower than 2   ×   10-5 across a spectral range of 250 nm.

  12. Optimal frequency selection of multi-channel O2-band different absorption barometric radar for air pressure measurements

    NASA Astrophysics Data System (ADS)

    Lin, Bing; Min, Qilong

    2017-02-01

    Through theoretical analysis, optimal selection of frequencies for O2 differential absorption radar systems on air pressure field measurements is achieved. The required differential absorption optical depth between a radar frequency pair is 0.5. With this required value and other considerations on water vapor absorption and the contamination of radio wave transmission, frequency pairs of present considered radar system are obtained. Significant impacts on general design of differential absorption remote sensing systems are expected from current results.

  13. Isotope shifts in spectra of molecular liquids

    NASA Astrophysics Data System (ADS)

    Dubrovskaya, E. V.; Kolomiitsova, T. D.; Shurukhina, A. V.; Shchepkin, D. N.

    2016-02-01

    In the IR absorption spectra of low-temperature molecular liquids, we have observed anomalously large isotope shifts of frequencies of vibrational bands that are strong in the dipole absorption. The same effect has also been observed in their Raman spectra. At the same time, in the spectra of cryosolutions, the isotope shifts of the same bands coincide with a high accuracy (±(0.1-0.5) cm-1) with the shifts that are observed in the spectra of the gas phase. The difference between the spectra of examined low-temperature systems is caused by the occurrence of resonant dipole-dipole interactions between spectrally active identical molecules. The calculation of the band contour in the spectrum of liquid freon that we have performed in this work taking into account the resonant interaction between states of simultaneous transitions in isotopically substituted molecules can explain this effect.

  14. Radiative analysis of global mean temperature trends in the middle atmosphere: Effects of non-locality and secondary absorption bands

    NASA Astrophysics Data System (ADS)

    Fomichev, V. I.; Jonsson, A. I.; Ward, W. E.

    2016-02-01

    In this paper, we provide a refined and extended assignment of past and future temperature changes relative to previous analyses and describe and evaluate the relevance of vertical coupling and non-linear and secondary radiative mechanisms for the interpretation of climatic temperature variations in the middle atmosphere. Because of their nature, the latter mechanisms are not adequately accounted for in most regression analyses of temperature trends as a function of local constituent variations. These mechanisms are examined using (1) globally averaged profiles from transient simulations with the Canadian Middle Atmosphere Model (CMAM) forced by changes in greenhouse gases and ozone depleting substances and (2) a one-dimensional radiative-equilibrium model forced using the diagnosed global mean changes in radiatively active constituents as derived from the CMAM model runs. The conditions during the periods 1975 to 1995 and 2010 to 2040 (during which the rates of change in ozone and CO2 differ) provide a suitable contrast for the role of the non-linear and non-local mechanisms being evaluated in this paper to be clearly differentiated and evaluated. Vertical coupling of radiative transfer effects and the influence of secondary absorption bands are important enough to render the results of multiple linear regression analyses between the temperature response and constituent changes misleading. These effects are evaluated in detail using the 1D radiative-equilibrium model using profiles from the CMAM runs as inputs. In order to explain the differences in the CMAM temperature trends prior to and after 2000 these other radiative effects must be considered in addition to local changes in the radiatively active species. The middle atmosphere temperature cools in response to CO2 and water vapor increases, but past and future trends are modulated by ozone changes.

  15. Low-temperature semiconductor band-gap thermal shifts: T4 shifts from ordinary acoustic and T2 from piezoacoustic coupling

    NASA Astrophysics Data System (ADS)

    Allen, Philip B.; Nery, Jean Paul

    2017-01-01

    At low temperature, the experimental gap of silicon decreases as Eg(T ) =Eg(0 ) -A T4 . The main reason is electron-phonon renormalization. The physics behind the T4-power law is more complex than has been realized. Renormalization at low T by intraband scattering requires a nonadiabatic treatment in order to correctly include acoustic phonons and avoid divergences from piezoacoustic phonon interactions. The result is an unexpected low T term Eg(0 ) +A'Tp with positive coefficient A', and power p =4 for nonpiezoelectric materials, and power p =2 for piezoelectric materials. The acoustic phonons in piezoelectric semiconductors generate a piezoelectric field, modifying the electron-phonon coupling. However, at higher T , thermally excited acoustic phonons of energy ℏ vsq and intraband excitation energies ɛq-ɛ0=ℏ2q2/2 m* become comparable in size. Above this temperature, the low q and higher q intraband acoustic phonon contributions to Tp rapidly cancel, leaving little thermal effect. Then the contribution from interband scattering by acoustic phonons is dominant. This has the power law T4 for both nonpiezoelectric and piezoelectric semiconductors. The shift can then have either sign, but usually reduces the size of gaps as T increases. It arises after cancellation of the T2 terms that appear separately in Debye-Waller and Fan parts of the acoustic phonon interband renormalization. The cancellation occurs because of the acoustic sum rule.

  16. Origin of absorption peaks in reflection loss spectrum in Ku- frequency band of Co-Zr substituted strontium hexaferrites prepared using sucrose precursor

    NASA Astrophysics Data System (ADS)

    Narang, Sukhleen Bindra; Pubby, Kunal; Chawla, S. K.; Kaur, Prabhjyot

    2017-03-01

    This study presents the detailed explanation of the factors, contributing towards the absorption peaks in reflection loss spectrum of hexaferrites. Cobalt-Zirconium substituted strontium hexaferrites, synthesized using sucrose precursor sol-gel technique, were analyzed in 12.4-18 GHz frequency range. The concepts of impedance matching through quarter wavelength condition, complex thickness, dielectric phase angle and attenuation constant have been used to determine the location as well as intensity of absorption peaks. This study also demonstrates the potential application of three compositions of this series with doping content (x)==0.0, 0.6 and 0.8 as an effective microwave absorbers in Ku-frequency band.

  17. The Temporary Threshold Shift of Vibratory Sensation Induced by Hand-Arm Vibration Composed of Four One-Third Octave Band Vibrations

    NASA Astrophysics Data System (ADS)

    Nishiyama, K.; Taoda, K.; Yamashita, H.; Watanabe, S.

    1997-03-01

    The aim of the present study was to define the multiple effect hand-arm vibration composed of four equally effective one-third octave band vibrations (63 Hz, 125 Hz, 250 Hz and 500 Hz) on the temporary threshold shift in vibratory sensation.Seven healthy subjects were exposed to vibration by grasping a vibrated handle in a soundproof thermo-regulated room. The vibratory sensation threshold at 125 Hz was measured before and after vibration exposure at an exposed fingertip. At first we determined each acceleration of the component one-third octave band vibrations for each subject. These should induce the same magnitude of temporary threshold shift in vibratory sensation immediately after the vibration exposure (TTSv.0as induced by the reference one-third octave band vibration (250 Hz, 4g). We measured TTSv.tfor the exposures of the composed vibrations and the four component vibrations. TTSv.0was determined for each exposure according to the exponential recovery model stated in the previous study.The TTSv.0induced by the composite vibration was not longer than that which might have been induced by each component vibration. This result confirms our previous speculation that the component of the vibration inducing the largest TTSv.0determines TTSv.0by broadband random vibration.

  18. Structure and red shift of optical band gap in CdO–ZnO nanocomposite synthesized by the sol gel method

    SciTech Connect

    Mosquera, Edgar; Pozo, Ignacio del; Morel, Mauricio

    2013-10-15

    The structure and the optical band gap of CdO–ZnO nanocomposites were studied. Characterization using X-ray diffraction (XRD), transmission electron microscopy (TEM) and diffuse reflectance spectroscopy (DRS) analysis confirms that CdO phase is present in the nanocomposites. TEM analysis confirms the formation of spheroidal nanoparticles and nanorods. The particle size was calculated from Debey–Sherrer′s formula and corroborated by TEM images. FTIR spectroscopy shows residual organic materials (aromatic/Olefinic carbon) from nanocomposites surface. CdO content was modified in the nanocomposites in function of polyvinylalcohol (PVA) added. The optical band gap is found to be red shift from 3.21 eV to 3.11 eV with the increase of CdO content. Photoluminescence (PL) measurements reveal the existence of defects in the synthesized CdO–ZnO nanocomposites. - Graphical abstract: Optical properties of ZnO, CdO and ZnO/CdO nanoparticles. Display Omitted - Highlights: • TEM analysis confirms the presence of spherical nanoparticles and nanorods. • The CdO phase is present in the nanocomposites. • The band gap of the CdO–ZnO nanocomposites is slightly red shift with CdO content. • PL emission of CdO–ZnO nanocomposite are associated to structural defects.

  19. Polarization and field dependent two-photon absorption in GaAs/AlGaAs multiquantum well waveguides in the half-band gap spectral region

    NASA Astrophysics Data System (ADS)

    Tsang, H. K.; Penty, R. V.; White, I. H.; Grant, R. S.; Sibbett, W.; Soole, J. B. D.; LeBlanc, H. P.; Andreadakis, N. C.; Colas, E.; Kim, M. S.

    1991-12-01

    We report the observation of two photon absorption which is strongly dependent on the applied electric field and the optical polarization. At 1.55 μm wavelength, the two-photon absorption coefficient of the GaAs/AlGaAs multiquantum well (MQW) waveguides for transverse-magnetic light is about seven times lower than for transverse-electric polarized light and changes by a factor of approximately 4 for a change in applied direct-current electric field of ˜140 kV/cm. Ultrafast nonlinear refraction causing phase changes of over π radians without appreciable excess loss is observed. These measurements demonstrate that GaAs/AlGaAs MQW waveguides could be successfully used for subpicosecond all-optical switching near half-band gap, at wavelengths corresponding to the 1.55 μm optical communications band.

  20. Effects of surface texture and measurement geometry on the near infrared water-of-hydration absorption bands. Implications for the Martian regolith water content.

    NASA Astrophysics Data System (ADS)

    Pommerol, A.; Schmitt, B.

    Near-IR reflectance spectroscopy is widely used to detect mineral hydration on Solar System surfaces by the observation of absorption bands at 1.9 and 3 µm. Recent studies established empirical relationships between the strength of the 3 µm band and the water content of the studied minerals (Milliken et al., 2005). These results have especially been applied to the OMEGA dataset to derive global maps of the Martian regolith water content (Jouglet et al., 2006 and Milliken et al., 2006). However, parameters such as surface texture and measurement geometry are known to have a strong effect on reflectance spectra but their influence on the hydration bands is poorly documented. The aim of this work is the determination of the quantitative effects of particle size, mixing between materials with different albedo and measurement geometry on the absorption bands at 1.9 and 3 µm. We used both an experimental and a modeling approach to study these effects. Bidirectional reflectance spectra were measured for series of well characterized samples (smectite, volcanic tuff and coals, pure and mixed) and modeled with optical constants of a smectite (Roush, 2005). Criteria commonly used to estimate the strength of the bands were then calculated on these spectra. We show that particle size has a strong effect on the 1.9 and 3 µm bands strength, especially for the finest particles (less than 200 µm). Mixing between a fine smectite powder and anthracite powders with various particle sizes (modeled by a synthetic neutral material) highlights the strong effect of the materials albedo on the hydration band estimation criteria. Measurement geometry has a significant effect on the bands strength for high phase angles. Furthermore, the relative variations of band strength with measurement geometry appear very dependent on the surface texture. We will present in details the relationships between these physical parameters and various criteria chosen to estimate the hydration bands

  1. Evaluation of quadrature-phase-shift-keying signal characteristics in W-band radio-over-fiber transmission using direct in-phase/quadrature-phase conversion technique

    NASA Astrophysics Data System (ADS)

    Suzuki, Meisaku; Kanno, Atsushi; Yamamoto, Naokatsu; Sotobayashi, Hideyuki

    2016-02-01

    The effects of in-phase/quadrature-phase (IQ) imbalances are evaluated with a direct IQ down-converter in the W-band (75-110 GHz). The IQ imbalance of the converter is measured within a range of +/-10 degrees in an intermediate frequency of DC-26.5 GHz. 1-8-G-baud quadrature phase-shift keying (QPSK) signals are transmitted successfully with observed bit error rates within a forward error correction limit of 2×10-3 using radio over fiber (RoF) techniques. The direct down-conversion technique is applicable to next-generation high-speed wireless access communication systems in the millimeter-wave band.

  2. Correlation between the band gap, elastic modulus, Raman shift and melting point of CdS, ZnS, and CdSe semiconductors and their size dependency

    NASA Astrophysics Data System (ADS)

    Yang, C.; Zhou, Z. F.; Li, J. W.; Yang, X. X.; Qin, W.; Jiang, R.; Guo, N. G.; Wang, Y.; Sun, C. Q.

    2012-02-01

    With structural miniaturization down to the nanoscale, the detectable quantities of solid materials no longer remain constant but become tunable. For the II-VI semiconductors example, the band gap expands, the elastic modulus increases, the melting point drops, and the Raman optical phonons experience red shift associated with creation of low frequency Raman acoustic modes that undergo blue shift with decreasing the dimensional scale. In order to understand the common origin of the size dependency of these seemingly irrelevant properties, we formulated these quantities for CdS, ZnS, and CdSe semiconductors from the perspectives of bond order-length-strength correlation and the local bond averaging approach. Consistency between the theory predictions and the measured size dependence of these quantities clarified that the undercoordination-induced local strain and quantum entrapment and the varied fraction of undercoordinated atoms of the entire solid correlate these quantities and dominate their size effect.

  3. Broadening, shifting, and line asymmetries in the 2<--0 band of CO and CO-N2: Experimental results and theoretical calculations

    NASA Astrophysics Data System (ADS)

    Predoi-Cross, Adriana; Bouanich, J. P.; Benner, D. Chris; May, A. D.; Drummond, J. R.

    2000-07-01

    We have measured the room temperature, widths, pressure shifts, and line asymmetry coefficients for many transitions of the first overtone band of CO and CO perturbed by N2. The broadening coefficients were obtained with an accuracy of about 1%. The pure CO profiles have been fitted by a Voigt profile while the CO-N2 spectral profiles have been fitted with a Lorentz and an empirical line shape model (HCv) that blends together a hard collision model and a speed-dependent Lorentz profile. In addition to the Voigt, Lorentz, and HCv models, we have added a dispersion profile to account for weak line mixing. The line broadening and shift coefficients are compared to semiclassical calculations employing a variety of intermolecular interactions. The line asymmetry results are compared to line mixing calculations based on the energy corrected sudden (ECS) model. The results indicate that effects other than line mixing also contribute to the measured line asymmetry.

  4. Enhanced Microwave Absorption Properties by Tuning Cation Deficiency of Perovskite Oxides of Two-Dimensional LaFeO3/C Composite in X-Band.

    PubMed

    Liu, Xiang; Wang, Lai-Sen; Ma, Yating; Zheng, Hongfei; Lin, Liang; Zhang, Qinfu; Chen, Yuanzhi; Qiu, Yulong; Peng, Dong-Liang

    2017-03-01

    Development of microwave absorption materials with tunable thickness and bandwidth is particularly urgent for practical applications but remains a great challenge. Here, two-dimensional nanocomposites consisting of perovskite oxides (LaFeO3) and amorphous carbon were successfully obtained through a one pot with heating treatment using sodium chloride as a hard template. The tunable absorption properties were realized by introducing A-site cation deficiency in LaFeO3 perovskite. Among the A-site cation-deficient perovskites, La0.62FeO3/C (L0.62FOC) has the best microwave absorption properties in which the maximum absorption is -26.6 dB at 9.8 GHz with a thickness of 2.94 mm and the bandwidth range almost covers all X-band. The main reason affecting the microwave absorption performance was derived from the A-site cation deficiency which induced more dipoles polarization loss. This work proposes a promising method to tune the microwave absorption performance via introducing deficiency in a crystal lattice.

  5. Infrared Pulse-laser Long-path Absorption Measurement of Carbon Dioxide Using a Raman-shifted Dye Laser

    NASA Technical Reports Server (NTRS)

    Minato, Atsushi; Sugimoto, Nobuo; Sasano, Yasuhiro

    1992-01-01

    A pulsed laser source is effective in infrared laser long-path absorption measurements when the optical path length is very long or the reflection from a hard target is utilized, because higher signal-to-noise ratio is obtained in the detection of weak return signals. We have investigated the performance of a pulse-laser long-path absorption system using a hydrogen Raman shifter and a tunable dye laser pumped by a Nd:YAG laser, which generates second Stokes radiation in the 2-micron region.

  6. Quantitative photoluminescence of broad band absorbing melanins: a procedure to correct for inner filter and re-absorption effects

    NASA Astrophysics Data System (ADS)

    Riesz, Jennifer; Gilmore, Joel; Meredith, Paul

    2005-07-01

    We report methods for correcting the photoluminescence emission and excitation spectra of highly absorbing samples for re-absorption and inner filter effects. We derive the general form of the correction, and investigate various methods for determining the parameters. Additionally, the correction methods are tested with highly absorbing fluorescein and melanin (broadband absorption) solutions; the expected linear relationships between absorption and emission are recovered upon application of the correction, indicating that the methods are valid. These procedures allow accurate quantitative analysis of the emission of low quantum yield samples (such as melanin) at concentrations where absorption is significant.

  7. Strong interlayer coupling mediated giant two-photon absorption in MoS e2 /graphene oxide heterostructure: Quenching of exciton bands

    NASA Astrophysics Data System (ADS)

    Sharma, Rituraj; Aneesh, J.; Yadav, Rajesh Kumar; Sanda, Suresh; Barik, A. R.; Mishra, Ashish Kumar; Maji, Tuhin Kumar; Karmakar, Debjani; Adarsh, K. V.

    2016-04-01

    A complex few-layer MoS e2 /graphene oxide (GO) heterostructure with strong interlayer coupling was prepared by a facile hydrothermal method. In this strongly coupled heterostructure, we demonstrate a giant enhancement of two-photon absorption that is in stark contrast to the reverse saturable absorption of a weakly coupled MoS e2 /GO heterostructure and saturable absorption of isolated MoS e2 . Spectroscopic evidence of our study indicates that the optical signatures of isolated MoS e2 and GO domains are significantly modified in the heterostructure, displaying a direct coupling of both domains. Furthermore, our first-principles calculations indicate that strong interlayer coupling between the layers dramatically suppresses the MoS e2 excitonic bands. We envision that our findings provide a powerful tool to explore different optical functionalities as a function of interlayer coupling, which may be essential for the development of device technologies.

  8. Thickness and Composition Tailoring of K- and Ka-Band Microwave Absorption of BaCo x Ti x Fe(12-2 x)O19 Ferrites

    NASA Astrophysics Data System (ADS)

    Narang, Sukhleen Bindra; Pubby, Kunal; Singh, Charanjeet

    2017-02-01

    The goal of this research is to investigate the electromagnetic and microwave absorption properties of M-type barium hexaferrites with chemical formula BaCo x Ti x Fe(12-2 x)O19 ( x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) in K and Ka band. Characterization techniques such as x-ray diffraction analysis and scanning electron microscopy were applied to confirm ferrite formation. The frequency dependence of the complex permittivity and complex permeability was studied for prepared ferrite samples in the frequency range from 18 GHz to 40 GHz. Factors such as the quarter-wavelength condition, impedance matching, high dielectric-magnetic losses, as well as ferromagnetic resonance were investigated to determine their contribution to the absorption characteristics. It was found that the quarter-wavelength ( λ/4) model could be successfully applied to predict and understand the position as well as number of reflection peaks in the microwave absorption spectrum. The origin of the reflection loss peaks is explained and verified based on calculations of input impedance, loss tangent, and ferromagnetic resonance. Reflection loss analysis revealed that all six compositions exhibited reflection loss peaks (absorption >90%) at their matching thicknesses and frequencies. Therefore, these ferrites are potential candidates for use in electromagnetic shielding applications requiring low reflectivity in K and Ka band.

  9. In Situ Solid-State Reactions Monitored by X-ray Absorption Spectroscopy: Temperature-Induced Proton Transfer Leads to Chemical Shifts.

    PubMed

    Stevens, Joanna S; Walczak, Monika; Jaye, Cherno; Fischer, Daniel A

    2016-10-24

    The dramatic colour and phase alteration with the solid-state, temperature-dependent reaction between squaric acid and 4,4'-bipyridine has been probed in situ with X-ray absorption spectroscopy. The electronic and chemical sensitivity to the local atomic environment through chemical shifts in the near-edge X-ray absorption fine structure (NEXAFS) revealed proton transfer from the acid to the bipyridine base through the change in nitrogen protonation state in the high-temperature form. Direct detection of proton transfer coupled with structural analysis elucidates the nature of the solid-state process, with intermolecular proton transfer occurring along an acid-base chain followed by a domino effect to the subsequent acid-base chains, leading to the rapid migration along the length of the crystal. NEXAFS thereby conveys the ability to monitor the nature of solid-state chemical reactions in situ, without the need for a priori information or long-range order.

  10. A study of the structure of the ν1(HF) absorption band of the СH3СN…HF complex

    NASA Astrophysics Data System (ADS)

    Gromova, E. I.; Glazachev, E. V.; Bulychev, V. P.; Koshevarnikov, A. M.; Tokhadze, K. G.

    2015-09-01

    The ν1(HF) absorption band shape of the CH3CN…HF complex is studied in the gas phase at a temperature of 293 K. The spectra of gas mixtures CH3CN/HF are recorded in the region of 4000-3400 cm-1 at a resolution from 0.1 to 0.005 cm-1 with a Bruker IFS-120 HR vacuum Fourier spectrometer in a cell 10 cm in length with wedge-shaped sapphire windows. The procedure used to separate the residual water absorption allows more than ten fine-structure bands to be recorded on the low-frequency wing of the ν1(HF) band. It is shown that the fine structure of the band is formed primarily due to hot transitions from excited states of the low-frequency ν7 librational vibration. Geometrical parameters of the equilibrium nuclear configuration, the binding energy, and the dipole moment of the complex are determined from a sufficiently accurate quantum-chemical calculation. The frequencies and intensities for a number of spectral transitions of this complex are obtained in the harmonic approximation and from variational solutions of anharmonic vibrational problems.

  11. Investigation of broadening and shift of vapour absorption lines of H{sub 2}{sup 16}O in the frequency range 7184 – 7186 cm{sup -1}

    SciTech Connect

    Nadezhdinskii, A I; Pereslavtseva, A A; Ponurovskii, Ya Ya

    2014-10-31

    We present the results of investigation of water vapour absorption spectra in the 7184 – 7186 cm{sup -1} range that is of particular interest from the viewpoint of possible application of the data obtained for monitoring water vapour in the Earth's stratosphere. The doublet of H{sub 2}{sup 16}O near ν = 7185.596 cm{sup -1} is analysed. The coefficients of broadening and shift of water vapour lines are found in the selected range in mixtures with buffer gases and compared to those obtained by other authors. (laser spectroscopy)

  12. Complexities in pyroxene compositions derived from absorption band centers: Examples from Apollo samples, HED meteorites, synthetic pure pyroxenes, and remote sensing data

    NASA Astrophysics Data System (ADS)

    Moriarty, D. P.; Pieters, C. M.

    2016-02-01

    We reexamine the relationship between pyroxene composition and near-infrared absorption bands, integrating measurements of diverse natural and synthetic samples. We test an algorithm (PLC) involving a two-part linear continuum removal and parabolic fits to the 1 and 2 μm bands—a computationally simple approach which can easily be automated and applied to remote sensing data. Employing a suite of synthetic pure pyroxenes, the PLC technique is shown to derive similar band centers to the modified Gaussian model. PLC analyses are extended to natural pyroxene-bearing materials, including (1) bulk lunar basalts and pyroxene separates, (2) diverse lunar soils, and (3) HED meteorites. For natural pyroxenes, the relationship between composition and absorption band center differs from that of synthetic pyroxenes. These differences arise from complexities inherent in natural materials such as exsolution, zoning, mixing, and space weathering. For these reasons, band center measurements of natural pyroxene-bearing materials are compositionally nonunique and could represent three distinct scenarios (1) pyroxene with a narrow compositional range, (2) complexly zoned pyroxene grains, or (3) a mixture of multiple pyroxene (or nonpyroxene) components. Therefore, a universal quantitative relationship between band centers and pyroxene composition cannot be uniquely derived for natural pyroxene-bearing materials without additional geologic context. Nevertheless, useful relative relationships between composition and band center persist in most cases. These relationships are used to interpret M3 data from the Humboldtianum Basin. Four distinct compositional units are identified (1) Mare Humboldtianum basalts, (2) distinct outer basalts, (3) low-Ca pyroxene-bearing materials, and (4) feldspathic materials.

  13. Direct evidence of flat band voltage shift for TiN/LaO or ZrO/SiO2 stack structure via work function depth profiling

    PubMed Central

    Heo, Sung; Park, Hyoungsun; Ko, Dong-Su; Kim, Yong Su; Kyoung, Yong Koo; Lee, Hyung-Ik; Cho, Eunae; Lee, Hyo Sug; Park, Gyung-Su; Shin, Jai Kwang; Lee, Dongjin; Lee, Jieun; Jung, Kyoungho; Jeong, Moonyoung; Yamada, Satoru; Kang, Hee Jae; Choi, Byoung-Deog

    2017-01-01

    We demonstrated that a flat band voltage (VFB) shift could be controlled in TiN/(LaO or ZrO)/SiO2 stack structures. The VFB shift described in term of metal diffusion into the TiN film and silicate formation in the inserted (LaO or ZrO)/SiO2 interface layer. The metal doping and silicate formation confirmed by using transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS) line profiling, respectively. The direct work function measurement technique allowed us to make direct estimate of a variety of flat band voltages (VFB). As a function of composition ratio of La or Zr to Ti in the region of a TiN/(LaO or ZrO)/SiO2/Si stack, direct work function modulation driven by La and Zr doping was confirmed with the work functions obtained from the cutoff value of secondary electron emission by auger electron spectroscopy (AES). We also suggested an analytical method to determine the interface dipole via work function depth profiling. PMID:28252013

  14. Doppler-shifted optical absorption characterization of plume-lateral expansion in laser ablation of a cerium target

    NASA Astrophysics Data System (ADS)

    Miyabe, M.; Oba, M.; Iimura, H.; Akaoka, K.; Maruyama, Y.; Ohba, H.; Tampo, M.; Wakaida, I.

    2012-12-01

    The temporal evolution of the ablation plume of cerium was investigated by absorption spectroscopy. Cerium oxide pellets were ablated in a helium atmosphere by second-harmonic radiation (532 nm) from a Nd:YAG laser at a fluence of 0.5 J/cm2. The lateral velocity (expansion velocity horizontal to the sample surface) of the plume was determined from the magnitude of the Doppler splitting of the absorption spectra measured close to the sample surface. The lateral velocities of neutral and singly ionized atoms were systematically investigated by varying several parameters, such as ambient gas pressure, ablation laser fluence, observation timing, and observation height. In addition, temporal profiles of the absorption signal were measured by detuning the probe laser frequency from the atomic resonant frequency in order to obtain the temporal variation of the velocity. On the basis of the drag force model, the slowing coefficients for atomic and ionic species in a helium atmosphere were evaluated along with lateral velocity in a vacuum. This study may help in understanding the plume dynamics effect on deposited film properties as well as optimizing experimental conditions for ablation-based spectroscopic analysis.

  15. Argon-Induced Pressure Broadening, Shifting and Narrowing in the CN ˜{A}^2Π-˜{X}^2Σ^+ (1-0) Band

    NASA Astrophysics Data System (ADS)

    Forthomme, D.; McRaven, C. P.; Sears, T. J.; Hall, G. E.

    2013-06-01

    Selected isolated rotational transitions in the 1-0 band of the red ˜{A}^2Π-˜{X}^2Σ^+ system in CN have been recorded with transient frequency modulation spectroscopy as a function of argon pressure up to 0.2 atmospheres at room temperature. Line shapes were fit using Fourier transforms of a parameterized time correlation function, including Doppler and velocity-dependent collisional broadening, and collisional shifts. Deviations from Voigt line shapes can be equally well fit by modeling the narrowing with a speed-dependent collision model or with a velocity-changing collisional narrowing model. Pressure broadening coefficients were observed with little rotational state dependence, in the range of 0.070 - 0.075 cm^{-1} atm^{-1}. In contrast, a much stronger rotational state dependence is observed for both pressure-dependent blue shift coefficients and the narrowing parameters. No asymmetry in the pressure broadening was observed; any possible speed-dependence to the frequency shift was too small to be detected in these measurements. Acknowledgments: Work at Brookhaven National Laboratory was carried out under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences.

  16. Size and alloying induced shift in core and valence bands of Pd-Ag and Pd-Cu nanoparticles

    SciTech Connect

    Sengar, Saurabh K.; Mehta, B. R.; Govind

    2014-03-28

    In this report, X-ray photoelectron spectroscopy studies have been carried out on Pd, Ag, Cu, Pd-Ag, and Pd-Cu nanoparticles having identical sizes corresponding to mobility equivalent diameters of 60, 40, and 20 nm. The nanoparticles were prepared by the gas phase synthesis method. The effect of size on valence and core levels in metal and alloy nanoparticles has been studied by comparing the values to those with the 60 nm nanoparticles. The effect of alloying has been investigated by comparing the valence and core level binding energies of Pd-Cu and Pd-Ag alloy nanoparticles with the corresponding values for Pd, Ag, and Cu nanoparticles of identical sizes. These effects have been explained in terms of size induced lattice contractions, alloying induced charge transfer, and hybridization effects. The observation of alloying and size induced binding energy shifts in bimetallic nanoparticles is important from the point of view of hydrogen reactivity.

  17. Contribution of the transition moments, form of the absorption band, exciton, and the correlation effects in the linear and nonlinear optical properties of conjugated polymers

    NASA Astrophysics Data System (ADS)

    Díaz-Ponce, Javier Alejandro

    2017-04-01

    This work compares the linear and nonlinear optical properties of polyenes and polyenynes. The simulation was made for finite and infinite conjugation of conjugated polymers, such as polyacetylene, β-carotene, bis (p-toluene sulfonate) (PTS) polyenyne, and a short conjugated polyenyne poly-2,6-decadyin-1,6-ylene azelate (PHDAz). The resonance energy and degree of conjugation are determined by fitting the linear absorption spectra. These parameters are then used for calculating the two photon and third-order nonlinear optical properties. The contribution of the transition moment, the form of the absorption band, the exciton, and phonons in the optical properties are determined. The difference of the experimental values is assigned to correlation effects. We found that the exciton, the correlation effects, and the conduction band are more important in the optical properties of polyenynes than of polyenes. In this way, the dependence of the optical properties of polyenynes on the conduction band makes it possible to increase their nonlinear optical properties by interaction with photons (θ ≈ 0). The dependence of the optical properties on the conduction band also produces that the finiteness of the conjugation strongly decreases the optical properties of polyenynes in relation to polyenes with similar conjugation. On the other hand, the phonons are more important in the optical properties of polyenes than of polyenynes. Consequently, the band is indirect for the studied polyenes and direct for the polyenynes. Therefore, the nonlinear optical properties in the resonance frequency of polyenyne PTS are higher than those for polyacetylene. We also found that asymmetric oscillations of χ(3) in the Brillouin zone increases the χ(3) final value in polyenynes. In addition, we found a change of sign of the wave function coefficients by the Peierls distortion of polyenes to become polyenynes, but this change of sign does not affect the optical properties. As a corollary

  18. Full-Quantum chemical calculation of the absorption maximum of bacteriorhodopsin: a comprehensive analysis of the amino acid residues contributing to the opsin shift

    PubMed Central

    Hayashi, Tomohiko; Matsuura, Azuma; Sato, Hiroyuki; Sakurai, Minoru

    2012-01-01

    Herein, the absorption maximum of bacteriorhodopsin (bR) is calculated using our recently developed method in which the whole protein can be treated quantum mechanically at the level of INDO/S-CIS//ONIOM (B3LYP/6-31G(d,p): AMBER). The full quantum mechanical calculation is shown to reproduce the so-called opsin shift of bR with an error of less than 0.04 eV. We also apply the same calculation for 226 different bR mutants, each of which was constructed by replacing any one of the amino acid residues of the wild-type bR with Gly. This substitution makes it possible to elucidate the extent to which each amino acid contributes to the opsin shift and to estimate the inter-residue synergistic effect. It was found that one of the most important contributions to the opsin shift is the electron transfer from Tyr185 to the chromophore upon excitation. We also indicate that some aromatic (Trp86, Trp182) and polar (Ser141, Thr142) residues, located in the vicinity of the retinal polyene chain and the β-ionone ring, respectively, play an important role in compensating for the large blue-shift induced by both the counterion residues (Asp85, Asp212) and an internal water molecule (W402) located near the Schiff base linkage. In particular, the effect of Trp86 is comparable to that of Tyr185. In addition, Ser141 and Thr142 were found to contribute to an increase in the dipole moment of bR in the excited state. Finally, we provide a complete energy diagram for the opsin shift together with the contribution of the chromophore-protein steric interaction. PMID:27493528

  19. The Rovibrational Intensities of Five Absorption Bands of (12)C(16)O2 Between 5218 and 5349/cm

    NASA Technical Reports Server (NTRS)

    Giver, Lawrence P.; Brown, Linda R.; Chackerian, Charles, Jr.; Freedman, Richard S.; Gore, Warren J. (Technical Monitor)

    2002-01-01

    Absolute line intensities, band intensities, and Herman-Wallis parameters were measured for the (01(sup 1)2)(sub I) from (00(sup 0)0)(sub I) perpendicular band of (12)C(16)O2 centered at 5315/cm, along with the three nearby associated hot bands: (10(sup 0)2)(sub II) from (01(sup 1)0)(sub I) at 5248/cm, (02(sup 2))(sub I) from (01(sup 1)0)(sub I) at 5291/cm, and (10(sup 0)2)(sub I) from (01(sup 1)0)(sub I) at 5349/cm. The nearby parallel hot band (30(sup 0))(sub I) from (10(sup 0)0)(sub II) at 5218/cm was also included in this study.

  20. Water absorption lines, 931-961 nm - Selected intensities, N2-collision-broadening coefficients, self-broadening coefficients, and pressure shifts in air

    NASA Technical Reports Server (NTRS)

    Giver, L. P.; Gentry, B.; Schwemmer, G.; Wilkerson, T. D.

    1982-01-01

    Intensities were measured for 97 lines of H2O vapor between 932 and 961 nm. The lines were selected for their potential usefulness for remote laser measurements of H2O vapor in the earth's atmosphere. The spectra were obtained with several different H2O vapor abundances and N2 broadening gas pressures; the spectral resolution was 0.046/cm FWHM. Measured H2O line intensities range from 7 x 10 to the -25th to 7 x 10 to the -22nd/cm per (molecules/sq cm). H2O self-broadening coefficients were measured for 13 of these strongest lines; the mean value was 0.5/cm per atm. N2-collision-broadening coefficients were measured for 73 lines, and the average was 0.11 cm per atm HWHM. Pressure shifts in air were determined for a sample of six lines between 948 and 950 nm; these lines shift to lower frequency by an amount comparable to 0.1 of the collision-broadened widths measured in air or N2. The measured intensities of many lines of 300-000 band are much larger than expected from prior computations, in some cases by over an order of magnitude. Coriolis interactions with the stronger 201-000 band appear to be the primary cause of the enhancement of these line intensities.

  1. Core-to-Rydberg band shift and broadening of hydrogen bonded ammonia clusters studied with nitrogen K-edge excitation spectroscopy

    SciTech Connect

    Yamanaka, Takeshi; Takahashi, Osamu; Tabayashi, Kiyohiko; Namatame, Hirofumi; Taniguchi, Masaki; Tanaka, Kenichiro

    2012-01-07

    Nitrogen 1s (N ls) core-to-Rydberg excitation spectra of hydrogen-bonded clusters of ammonia (AM) have been studied in the small cluster regime of beam conditions with time-of-flight (TOF) fragment-mass spectroscopy. By monitoring partial-ion-yield spectra of cluster-origin products, ''cluster'' specific excitation spectra could be recorded. Comparison of the ''cluster'' band with ''monomer'' band revealed that the first resonance bands of clusters corresponding to N 1s{yields} 3sa{sub 1}/3pe of AM monomer are considerably broadened. The changes of the experimental core-to-Rydberg transitions {Delta}FWHM (N 1s{yields} 3sa{sub 1}/3pe) ={approx}0.20/{approx}0.50 eV compare well with the x ray absorption spectra of the clusters generated by using density functional theory (DFT) calculation. The broadening of the core-to-Rydberg bands in small clusters is interpreted as being primarily due to the splitting of non-equivalent core-hole N 1s states caused by both electrostatic core-hole and hydrogen-bonding (H{sub 3}N{center_dot}{center_dot}{center_dot}H-NH{sub 2}) interactions upon dimerization. Under Cs dimer configuration, core-electron binding energy of H-N (H-donor) is significantly decreased by the intermolecular core-hole interaction and causes notable redshifts of core-excitation energies, whereas that of lone-pair nitrogen (H-acceptor) is slightly increased and results in appreciable blueshifts in the core-excitation bands. The result of the hydrogen-bonding interaction strongly appears in the n-{sigma}* orbital correlation, destabilizing H-N donor Rydberg states in the direction opposite to the core-hole interaction, when excited N atom with H-N donor configuration strongly possesses the Rydberg component of anti-bonding {sigma}* (N-H) character. Contributions of other cyclic H-bonded clusters (AM){sub n} with n{>=} 3 to the spectral changes of the N 1s{yields} 3sa{sub 1}/3pe bands are also examined.

  2. Two-Photon Absorption of Bacteriorhodopsin: Formation of a Red-Shifted Thermally Stable Photoproduct F620

    PubMed Central

    Fischer, Thorsten; Hampp, Norbert A.

    2005-01-01

    By means of high-intensity 532 nm laser pulses, a photochemical conversion of the initial B570 state of bacteriorhodopsin (BR) to a stable photoproduct absorbing maximally at ≈620 nm in BR suspensions and at ≈610 nm in BR films is induced. This state, which we named F620, is photochemically further converted to a group of three products with maximal absorptions in the wavelength range from 340 nm to 380 nm, which show identical spectral properties to the so-called P360 state reported in the literature. The photoconversion from B570 to F620 is most likely a resonant two-photon absorption induced step. The formation of F620 and P360 leads to a distinguished photo-induced permanent optical anisotropy in BR films. The spectral dependence of the photo-induced anisotropy and the anisotropy orientations at the educt (B570) and product (F620) wavelengths are strong indicators that F620 is formed in a direct photochemical step from B570. The chemical nature of the P360 products probably is that of a retro-retinal containing BR, but the structural characteristics of the F620 state are still unclear. The photo-induced permanent anisotropy induced by short laser pulses in BR films helps to better understand the photochemical pathways related to this transition, and it is interesting in view of potential applications as this feature is the molecular basis for permanent optical data storage using BR films. PMID:15894635

  3. In vivo predictive mini-scale dissolution for weak bases: Advantages of pH-shift in combination with an absorptive compartment.

    PubMed

    Frank, Kerstin J; Locher, Kathrin; Zecevic, Damir E; Fleth, Jeannine; Wagner, Karl G

    2014-09-30

    The purpose was the evaluation of a new miniscale biphasic dissolution model with pH-shift (miBIdi-pH). Its capability to predict supersaturation and precipitation of weak bases (e.g. dipyridamole) and the in vivo performance of various formulations of the model compound BIXX (weak base, poor solubility, good permeability) was investigated with respect to dissolution, precipitation and re-dissolution. Single phase dissolution with and without pH-shift [small scale dissolution (V = 20 ml) and USPII] and miBIdi-pH (50 ml aqueous phase covered by 15 ml octanol) were used for analyzing crystalline dipyridamole and the four BIXX-containing formulations. Precipitate was analyzed via X-ray diffraction. Bioavailability of the formulations was tested in dogs. Phoenix WinNonlin(®) was used for IVIVC. For dipyridamole, precipitation upon pH shift was less pronounced in the miBIdi-pH in comparison to the single phase dissolution (35% vs. 90%). In case of four BIXX-containing formulations, USPII revealed significant differences in their dissolution, whereas the final amounts of BIXX in the octanol phase in the miBIdi-pH were alike. Different partitioning rates into octanol were observed. The miBIdi-pH was superior to single phasic dissolution in predicting in vivo precipitation of dipyridamole. In case of the BIXX-containing formulations, it was superior in ranking the formulations and it was capable to capture the kinetics of different absorption processes in vivo.

  4. Designing a graded index depressed clad non-zero dispersion shifted optical fiber for wide band transmission system

    NASA Astrophysics Data System (ADS)

    Ghosh, Dipankar; Ghosh, Debashri; Basu, Mousumi

    2008-02-01

    Non-zero dispersion shifted fibers (NZ-DSFs) find extensive use in wavelength division multiplexed (WDM) system as it reduces the non-linear effects like four-wave mixing (FWM) generation. A depressed clad graded index fiber with a central dip in the refractive index profile, as well as without dip, has been modeled to perform as an NZ-DSF using the spot size optimization technique. The performance characteristics of the proposed NZ-DSF have been studied by changing different fiber parameters; such as inner core radius (a), relative refractive index differences ([Delta]+), normalized end position of depressed clad (C), depression parameter ([rho]), etc. for a given value of Petermann-2 spot size . By suitably adjusting the fiber parameters, the effective core areas (Aeff) as simulated here are very large (~80 [mu]m2) so that the effect of non-linearities upon them can be minimized. These NZ-DSFs have also been optimized for WDM transmission system. The dispersion slopes of the proposed fibers with and without dip have been estimated which are comparable with the reported results.

  5. Broad band nonlinear optical absorption measurements of the laser dye IR26 using white light continuum Z-scan

    NASA Astrophysics Data System (ADS)

    Dey, Soumyodeep; Bongu, Sudhakara Reddy; Bisht, Prem Ballabh

    2017-03-01

    We study the nonlinear optical response of a standard dye IR26 using the Z-scan technique, but with the white light continuum. The continuum source of wavelength from 450 nm to 1650 nm has been generated from the photonic crystal fiber on pumping with 772 nm of Ti:Sapphire oscillator. The use of broadband incident pulse enables us to probe saturable absorption (SA) and reverse saturable absorption (RSA) over the large spectral range with a single Z-scan measurement. The system shows SA in the resonant region while it turns to RSA in the non-resonant regions. The low saturation intensity of the dye can be explained based on the simultaneous excitation from ground states to various higher energy levels with the help of composite energy level diagram. The cumulative effects of excited state absorption and thermal induced nonlinear optical effects are responsible for the observed RSA.

  6. Symmetry-Breaking in Cationic Polymethine Dyes: Part 2. Shape of Electronic Absorption Bands Explained by the Thermal Fluctuations of the Solvent Reaction Field.

    PubMed

    Masunov, Artëm E; Anderson, Dane; Freidzon, Alexandra Ya; Bagaturyants, Alexander A

    2015-07-02

    The electronic absorption spectra of the symmetric cyanines exhibit dramatic dependence on the conjugated chain length: whereas short-chain homologues are characterized by the narrow and sharp absorption bands of high intensity, the long-chain homologues demonstrate very broad, structureless bands of low intensity. Spectra of the intermediate homologues combine both features. These broad bands are often explained using spontaneous symmetry-breaking and charge localization at one of the termini, and the combination of broad and sharp features was interpreted as coexistence of symmetric and asymmetric species in solution. These explanations were not supported by the first principle simulations until now. Here, we employ a combination of time-dependent density functional theory, a polarizable continuum model, and Franck-Condon (FC) approximation to predict the absorption line shapes for the series of 2-azaazulene and 1-methylpyridine-4-substituted polymethine dyes. To simulate inhomogeneous broadening by the solvent, the molecular structures are optimized in the presence of a finite electric field of various strengths. The calculated FC line shapes, averaged with the Boltzmann weights of different field strengths, reproduce the experimentally observed spectra closely. Although the polarizable continuum model accounts for the equilibrium solvent reaction field at absolute zero, the finite field accounts for the thermal fluctuations in the solvent, which break the symmetry of the solute molecule. This model of inhomogeneous broadening opens the possibility for computational studies of thermochromism. The choice of the global hybrid exchange-correlation functional SOGGA11-X, including 40% of the exact exchange, plays the critical role in the success of our model.

  7. Analysis of nozzle effect on pulsed detonation engine performance based on laser absorption spectroscopy with Doppler frequency shift

    NASA Astrophysics Data System (ADS)

    Huang, Xiao-long; Li, Ning; Weng, Chun-sheng; Lv, Xiao-jing

    2016-10-01

    An optical experiment system of tunable diode laser absorption spectroscopy is designed for valveless gas-liquid PDE to reveal the mechanism of nozzle improved the thrust performance. The velocity of detonation exhaust with non-nozzle, convergent nozzle, divergent nozzle and convergent-divergent nozzle is tested by laser Doppler velocimetry. The results indicate that laser Doppler method can accurately infer the instantaneous flow velocity, especially the velocity platform where contributes more to the engine impulse. The maximum value is 1222.66 m/s, 1128.52 m/s, 1338.64 m/s and 1296.93 m/s, the time of duration which the velocity is greater than 400m/s is 8.51ms, 7.58ms, 5.83ms and 17.62ms of the velocity under the condition of non-nozzle, convergent nozzle, divergent nozzle and convergent-divergent nozzle respectively.

  8. Role of charge separation on two-step two photon absorption in InAs/GaAs quantum dot intermediate band solar cells

    NASA Astrophysics Data System (ADS)

    Creti, A.; Tasco, V.; Cola, A.; Montagna, G.; Tarantini, I.; Salhi, A.; Al-Muhanna, A.; Passaseo, A.; Lomascolo, M.

    2016-02-01

    In this work, we report on the competition between two-step two photon absorption, carrier recombination, and escape in the photocurrent generation mechanisms of high quality InAs/GaAs quantum dot intermediate band solar cells. In particular, the different role of holes and electrons is highlighted. Experiments of external quantum efficiency dependent on temperature and electrical or optical bias (two-step two photon absorption) highlight a relative increase as high as 38% at 10 K under infrared excitation. We interpret these results on the base of charge separation by phonon assisted tunneling of holes from quantum dots. We propose the charge separation as an effective mechanism which, reducing the recombination rate and competing with the other escape processes, enhances the infrared absorption contribution. Meanwhile, this model explains why thermal escape is found to predominate over two-step two photon absorption starting from 200 K, whereas it was expected to prevail at lower temperatures (≥70 K), solely on the basis of the relatively low electron barrier height in such a system.

  9. Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles

    SciTech Connect

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; Lisenkov, Sergey; Pendyala, Chandrashekhar; Sunkara, Mahendra K.; Menon, Madhu

    2011-08-01

    Applicability of the Ga(Sbx)N1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sbx)N1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sbx)N1-x alloys could be potential candidates for splitting water under visible light irradiation.

  10. Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles

    DOE PAGES

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; ...

    2011-08-01

    Applicability of the Ga(Sbx)N1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sbx)N1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sbx)N1-x alloys could be potential candidates for splitting water under visible light irradiation.

  11. Calculating Effect of Point Defects on Optical Absorption Spectra of III-V Semiconductor Superlattices Based on (8x8) k-dot-p Band Structures

    NASA Astrophysics Data System (ADS)

    Huang, Danhong; Iurov, Andrii; Gumbs, Godfrey; Cardimona, David; Krishna, Sanjay

    For a superlattice which is composed of layered zinc-blende structure III-V semiconductor materials, its realistic anisotropic band structures around the Gamma-point are calculated by using the (8x8)k-dot-p method with the inclusion of the self-consistent Hartree potential and the spin-orbit coupling. By including the many-body screening effect, the obtained band structures are further employed to calculate the optical absorption coefficient which is associated with the interband electron transitions. As a result of a reduced quasiparticle lifetime due to scattering with point defects in the system, the self-consistent vertex correction to the optical response function is also calculated with the help of the second-order Born approximation.

  12. Energy band-gap shift with gamma-ray radiation and carbon n-delta-doping in GaAs/AlGaAs QWs structures

    NASA Astrophysics Data System (ADS)

    Daoudi, M.; Hosni, F.; Khalifa, N.; Dhifallah, I.; Farah, K.; Hamzaoui, A. H.; Ouerghi, A.; Chtourou, R.

    2014-05-01

    The aim of this work is to investigate two different delta-doping (silicon and carbon) after gamma irradiation. Delta-doping GaAs/AlGaAs heterojunctions grown by molecular beam epitaxy on (1 0 0) GaAs substrates have been studied by photoluminescence (PL) spectroscopy. A theoretical study was conducted using the resolution of Schrödinger and Poisson equations written within the Hartree approximation. PL measurements as function of the power excitation at 10 K shows a red-shift due to free carriers effect on properties of GaAs/AlGaAs quantum well (QW). Its dependence on the density of the two-dimensional electron gas (2DEG) at the GaAs/AlGaAs interface has been analyzed on the basis of the quantum confined Stark, the band-gap renormalization and Burstein-Moss (BM) effects. It is noted that the gamma radiation has changed the type of the exciton recombination.

  13. Lifetime measurement of candidate chiral doublet bands in the {sup 103,104}Rh isotopes with the recoil-distance Doppler-shift method in inverse kinematics

    SciTech Connect

    Suzuki, T.; Rainovski, G.; Koike, T.; Ahn, T.; Costin, A.; Carpenter, M. P.; Janssens, R. V. F.; Lister, C. J.; Zhu, S.; Danchev, M.; Dewald, A.; Joshi, P.; Wadsworth, R.; Moeller, O.; Pietralla, N.; Shinozuka, T.; Timar, J.; Vaman, C.

    2008-09-15

    Lifetimes of chiral candidate structures in {sup 103,104}Rh were measured using the recoil distance Doppler-shift method. The Gammasphere detector array was used in conjunction with the Cologne plunger device. Excited states of {sup 103,104}Rh were populated by the {sup 11}B({sup 96}Zr,4n){sup 103}Rh and {sup 11}B({sup 96}Zr,3n){sup 104}Rh fusion-evaporation reactions in inverse kinematics. Three and five lifetimes of levels belonging to the proposed chiral doublet bands are measured in {sup 103}Rh and {sup 104}Rh, respectively. The previously observed even-odd spin dependence of the B(M1)/B(E2) values is caused by the variation in the B(E2) values, whereas the B(M1) values decrease as a function of spin.

  14. Measurements and calculations of Ar-broadening and -shifting parameters of water vapor transitions of ν1+ν2+ν3 band

    NASA Astrophysics Data System (ADS)

    Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Starikov, V. I.

    2014-11-01

    The water vapor line broadening and shifting for 94 lines in the ν1+ν2+ν3 band induced by argon pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm-1 and in a wide pressure range of Ar. The calculations of the broadening coefficients γ and δ were performed in the framework of the semi-classical method. The intermolecular potential was taken as the sum of pair potentials which, in turn, were modeled by the Lennard-Jones potentials. Optimal sets of potential parameters given the best discrepancy of measured broadening coefficients are found. The influence of the rotational dependence of an intermolecular potential and its repulsive part on the calculated coefficients γ and δ is discussed.

  15. Evolution of dielectric function of Al-doped ZnO thin films with thermal annealing: effect of band gap expansion and free-electron absorption.

    PubMed

    Li, X D; Chen, T P; Liu, Y; Leong, K C

    2014-09-22

    Evolution of dielectric function of Al-doped ZnO (AZO) thin films with annealing temperature is observed. It is shown that the evolution is due to the changes in both the band gap and the free-electron absorption as a result of the change of free-electron concentration of the AZO thin films. The change of the electron concentration could be attributed to the activation of Al dopant and the creation/annihilation of the donor-like defects like oxygen vacancy in the thin films caused by annealing.

  16. Predissociation linewidths of the (1,0)-(12,0) Schumann-Runge absorption bands of O2 in the wavelength region 179-202 nm

    NASA Technical Reports Server (NTRS)

    Cheung, A. S.-C.; Yoshino, K.; Esmond, J. R.; Chiu, S. S.-L.; Freeman, D. E.

    1990-01-01

    A nonlinear least-squares method of retrieving predissociation linewidths from the experimental absolute absorption cross sections of Yoshino et al. (1983) has been applied to the (1,0)-(12,0) Schumann-Runge bands of oxygen. The predissociation linewidths deduced are larger than the theoretical predictions of Julienne (1976) and the latest measurements of Lewis et al. (1986). The larger linewidths found will have an impact on calculations of solar flux penetration into the earth atmosphere and of the photodissociation rates of trace species in the upper atmosphere.

  17. CO2 mitigation in coal gasification cogeneration systems with integration of the shift reaction, CO2 absorption and methanol production

    NASA Astrophysics Data System (ADS)

    Duan, Yuanyuan; Zhang, Jin

    2004-08-01

    Cogeneration of electricity and liquid fuel can achieve higher efficiencies than electricity generation alone in Integrated Gasification Combined Cycle (IGCC), and cogeneration systems are also expected to mitigate CO2 emissions. A proposed methanol-electricity cogeneration system was analyzed in this paper using exergy method to evaluate the specified system. A simple cogeneration scheme and a complicated scheme including the shift reaction and CO2 removal were compared. The results show that the complicated scheme consumes more energy, but has a higher methanol synthesis ratio with partial capture of CO2. In those methanol and electricity cogeneration systems, the CO2 mitigation is not merely an additional process that consumes energy and reduces the overall efficiency, but is integrated into the methanol production.

  18. Binary phase shift keying on orthogonal carriers for multi-channel CO2 absorption measurements in the presence of thin clouds.

    PubMed

    Campbell, Joel F; Lin, Bing; Nehrir, Amin R; Harrison, F Wallace; Obland, Michael D

    2014-10-20

    A new modulation technique for Continuous Wave (CW) Lidar is presented based on Binary Phase Shift Keying (BPSK) using orthogonal carriers closely spaced in frequency, modulated by Maximum Length (ML) sequences, which have a theoretical autocorrelation function with no sidelobes. This makes it possible to conduct multi-channel atmospheric differential absorption measurements in the presence of thin clouds without the need for further processing to remove errors caused by sidelobe interference while sharing the same modulation bandwidth. Flight tests were performed and data were collected using both BPSK and linear swept frequency modulation. This research shows there is minimal or no sidelobe interference in the presence of thin clouds for BPSK compared to linear swept frequency with significant sidelobe levels. Comparisons between of CO(2) optical depth Signal to Noise (SNR) between the BPSK and linear swept frequency cases indicate a 21% drop in SNR for BPSK experimentally using the instrument under consideration.

  19. Modulating stepwise photochromism in platinum(II) complexes with dual dithienylethene-acetylides by a progressive red shift of ring-closure absorption.

    PubMed

    Li, Bin; Wen, Hui-Min; Wang, Jin-Yun; Shi, Lin-Xi; Chen, Zhong-Ning

    2013-11-04

    To modulate stepwise photochromism by shifting ring-closure absorption of the dithienylethene (DTE) moiety, trans-Pt(PEt3)2(C≡C-DTE)2 [C≡C-DTE = L1o (1oo), L2o (2oo), L3o (3oo), and L4o (4oo)] and cis-Pt(PEt3)2(L4o)2 (5oo) with two identical DTE-acetylides were elaborately designed. With the gradual red shift of ring-closure absorption for L1c (441 nm) → L2c (510 nm) → L3c (556 nm) → L4c (602 nm), stepwise photochromism is increasingly facilitated in trans-Pt(PEt3)2(C≡C-DTE)2 following 1oo → 2oo → 3oo → 4oo. The conversion percentage of singly ring-closed 2co-4co to dually ring-closed 2cc-4cc at the photostationary state is progressively increased in the order 1cc (0%) → 2cc (18%) → 3cc (67%) → 4cc (100%). Compared with trans-arranged 4oo, stepwise photochromism in the corresponding cis-counterpart 5oo is less pronounced, ascribed to either direct conversion of 5oo to 5cc or rapid conversion of 5co to 5cc. The progressively facile stepwise photocyclization following 2oo → 3oo → 4oo is reasonably interpreted by gradually enhanced transition character involving LUMO+1, which is the only unoccupied frontier orbital responsible for further photocyclization of singly ring-closed 2co-4co.

  20. Sub-Band Gap Absorption in As-Deposited and Annealed nc-CdSe Thin Films Using Constant Photocurrent Method (CPM)

    NASA Astrophysics Data System (ADS)

    Sharma, Kriti; Al-Kabbi, A. S.; Singh, Baljinder; Saini, G. S. S.; Tripathi, S. K.

    2011-12-01

    Nanocrystalline CdSe thin films have been prepared by thermal vaccum evaporation technique using Inert Gas Condensation method using Argon as inert gas. XRD confirms the crystalline cubic nature of nc-CdSe thin films. The optical band gap is calculated for as deposited nc-CdSe and it comes out to be 2.1 eV. CPM has been used to measure sub-band gap absorption in nanocrystalline CdSe thin films. The thin films of nc-CdSe have been annealed at 80 °C for one hour and sub-bandgap absorption in annealed samples has also been calculated. Slope of Urbach tail which is a measure of disorder in both as deposited and annealed samples has been calculated. In the case of as deposited nc-CdSe thin films, Urbach slope is 354 meV. It decreases to the value 198 meV after annealing which shows structural disorder decreases after annealing.

  1. High energy electron irradiation of interstellar carbonaceous dust analogs: Cosmic ray effects on the carriers of the 3.4 µm absorption band.

    PubMed

    Maté, Belén; Molpeceres, Germán; Jiménez-Redondo, Miguel; Tanarro, Isabel; Herrero, Víctor J

    2016-11-01

    The effects of cosmic rays on the carriers of the interstellar 3.4 μm absorption band have been investigated in the laboratory. This band is attributed to stretching vibrations of CH3 and CH2 in carbonaceous dust. It is widely observed in the diffuse interstellar medium (ISM), but disappears in dense clouds. Destruction of CH3 and CH2 by cosmic rays could become relevant in dense clouds, shielded from the external ultraviolet field. For the simulations, samples of hydrogenated amorphous carbon (a-C:H) have been irradiated with 5 keV electrons. The decay of the band intensity vs electron fluence reflects a-C:H dehydrogenation, which is well described by a model assuming that H2 molecules, formed by the recombination of H atoms liberated through CH bond breaking, diffuse out of the sample. The CH bond destruction rates derived from the present experiments are in good accordance with those from previous ion irradiation experiments of HAC. The experimental simplicity of electron bombardment has allowed the use of higher energy doses than in the ion experiments. The effects of cosmic rays on the aliphatic components of cosmic dust are found to be small. The estimated cosmic ray destruction times for the 3.4 μm band carriers lie in the 10(8) yr range and cannot account for the disappearance of this band in dense clouds, which have characteristic lifetimes of 3 × 10(7) yr. The results invite a more detailed investigation of the mechanisms of CH bond formation and breaking in the intermediate region between diffuse and dense clouds.

  2. High energy electron irradiation of interstellar carbonaceous dust analogs: Cosmic ray effects on the carriers of the 3.4 µm absorption band

    PubMed Central

    Maté, Belén; Molpeceres, Germán; Jiménez-Redondo, Miguel; Tanarro, Isabel; Herrero, Víctor J.

    2017-01-01

    The effects of cosmic rays on the carriers of the interstellar 3.4 μm absorption band have been investigated in the laboratory. This band is attributed to stretching vibrations of CH3 and CH2 in carbonaceous dust. It is widely observed in the diffuse interstellar medium (ISM), but disappears in dense clouds. Destruction of CH3 and CH2 by cosmic rays could become relevant in dense clouds, shielded from the external ultraviolet field. For the simulations, samples of hydrogenated amorphous carbon (a-C:H) have been irradiated with 5 keV electrons. The decay of the band intensity vs electron fluence reflects a-C:H dehydrogenation, which is well described by a model assuming that H2 molecules, formed by the recombination of H atoms liberated through CH bond breaking, diffuse out of the sample. The CH bond destruction rates derived from the present experiments are in good accordance with those from previous ion irradiation experiments of HAC. The experimental simplicity of electron bombardment has allowed the use of higher energy doses than in the ion experiments. The effects of cosmic rays on the aliphatic components of cosmic dust are found to be small. The estimated cosmic ray destruction times for the 3.4 μm band carriers lie in the 108 yr range and cannot account for the disappearance of this band in dense clouds, which have characteristic lifetimes of 3 × 107 yr. The results invite a more detailed investigation of the mechanisms of CH bond formation and breaking in the intermediate region between diffuse and dense clouds. PMID:28133388

  3. High-energy Electron Irradiation of Interstellar Carbonaceous Dust Analogs: Cosmic-ray Effects on the Carriers of the 3.4 μm Absorption Band

    NASA Astrophysics Data System (ADS)

    Maté, Belén; Molpeceres, Germán; Jiménez-Redondo, Miguel; Tanarro, Isabel; Herrero, Víctor J.

    2016-11-01

    The effects of cosmic rays on the carriers of the interstellar 3.4 μm absorption band have been investigated in the laboratory. This band is attributed to stretching vibrations of CH3 and CH2 in carbonaceous dust. It is widely observed in the diffuse interstellar medium, but disappears in dense clouds. Destruction of CH3 and CH2 by cosmic rays could become relevant in dense clouds, shielded from the external ultraviolet field. For the simulations, samples of hydrogenated amorphous carbon (a-C:H) have been irradiated with 5 keV electrons. The decay of the band intensity versus electron fluence reflects a-C:H dehydrogenation, which is well described by a model assuming that H2 molecules, formed by the recombination of H atoms liberated through CH bond breaking, diffuse out of the sample. The CH bond destruction rates derived from the present experiments are in good accordance with those from previous ion irradiation experiments of HAC. The experimental simplicity of electron bombardment has allowed the use of higher-energy doses than in the ion experiments. The effects of cosmic rays on the aliphatic components of cosmic dust are found to be small. The estimated cosmic-ray destruction times for the 3.4 μm band carriers lie in the 108 yr range and cannot account for the disappearance of this band in dense clouds, which have characteristic lifetimes of 3 × 107 yr. The results invite a more detailed investigation of the mechanisms of CH bond formation and breaking in the intermediate region between diffuse and dense clouds.

  4. Microwave absorption properties of LiNb3O8 in X-band prepared by combustion synthesis

    NASA Astrophysics Data System (ADS)

    Goud, J. Pundareekam; Sindam, Bashaiah; Tumuluri, Anil; Raju, K. C. James

    2015-08-01

    Single phase LiNb3O8 powders were prepared using combustion synthesis technique. The powders were prepared by heat treating Li2CO3+Nb2O5/urea mixture in 1:3 ratio. Structural and morphological details have been done to confirm the presence of LiNb3O8. The S-parameters were measured using rectangular waveguide method in the X-band frequency (8.2GHz to 12.4GHz) by Vector Network Analyzer. The dielectric characteristics like dielectric constant (ɛ') and dielectric loss (ɛ″) were calculated using Nicolson-Ross-Weir algorithm. Complex permittivity of 28-0.2j and 26-1.0j at 8.2GHz and 12.4GHz respectively are observed. Reflection loss was derived with permittivity and permeability as input parameters. Microwave absorber thickness is optimized and the RL< -20dB is obtained in the X-band frequency.

  5. [High-order derivative spectroscopy of infrared absorption spectra of the reaction centers from Rhodobacter sphaeroides].

    PubMed

    2005-01-01

    The infrared absorption spectra of reduced and chemically oxidized reaction center preparations from the purple bacterium Rhodobacter sphaeroides were investigated by means of high-order derivative spectroscopy. The model Gaussian band with a maximum at 810 nm and a half-band of 15 nm found in the absorption spectrum of the reduced reaction center preparation is eliminated after the oxidation of photoactive bacteriochlorophyll dimer (P). This band was related to the absorption of the P(+)y excitonic band of P. On the basis of experimental results, it was concluded that the bleaching of the P(+)y absorption band at 810 nm in the oxidized reaction center preparations gives the main contribution to the blue shift of the 800 nm absorption band of Rb. sphaeroides reaction centers.

  6. Uniform Supersonic Expansion for FTIR Absorption Spectroscopy: The nu(5) Band of (NO)(2) at 26 K.

    PubMed

    Benidar; Georges; Le Doucen R; Boissoles; Hamon; Canosa; Rowe

    2000-01-01

    A high-resolution Fourier transform interferometer (Bruker IFS 120 HR) was combined with a uniform supersonic expansion produced by means of axisymmetric Laval nozzles. The geometry profile of the nozzle enabled us to work under precise thermodynamic and kinetic conditions. The effect of the cooling rate of different nozzles on cluster nucleation is illustrated. The experimental sensitivity was tested by recording the nu(5) band of (NO)(2) at 26 K. Copyright 2000 Academic Press.

  7. Studies of nitride- and oxide-based materials as absorptive shifters for embedded attenuated phase-shifting mask in 193 nm

    NASA Astrophysics Data System (ADS)

    Lin, Cheng-ming; Chang, Keh-wen; Lee, Ming-der; Loong, Wen-An

    1999-07-01

    Abstract-Five materials which are PdSixOy, CrAlxOy, SiNx, TiSixNy, and TiSixOyNz as absorptive shifters for attenuated phase-shifting mask in 193 nm wavelength lithography are presented. PdSixOy films were deposited by dual e-gun evaporation. CrAlxOy, TiSixNy and TiSixOyNz films were formed by plasma sputtering and SiNx films were formed with LPCVD. All of these materials are shown to be capable of achieving 4 percent - 15 percent transmittance in 193 nm with thickness that produce a 180 degrees phase shift. Under BCl3:Cl2 equals 14:70 sccm; chamber pressure 5 mtorr and RF power 1900W, the dry etching selectivity of TiSixNy over DQN positive resist and fused silica, were found to be 2:1 and 4,8:1 respectively. An embedded layer TiSixNy with 0.5 micrometers line/space was successfully patterned.

  8. A Multi-Band Analytical Algorithm for Deriving Absorption and Backscattering Coefficients from Remote-Sensing Reflectance of Optically Deep Waters

    NASA Technical Reports Server (NTRS)

    Lee, Zhong-Ping; Carder, Kendall L.

    2001-01-01

    A multi-band analytical (MBA) algorithm is developed to retrieve absorption and backscattering coefficients for optically deep waters, which can be applied to data from past and current satellite sensors, as well as data from hyperspectral sensors. This MBA algorithm applies a remote-sensing reflectance model derived from the Radiative Transfer Equation, and values of absorption and backscattering coefficients are analytically calculated from values of remote-sensing reflectance. There are only limited empirical relationships involved in the algorithm, which implies that this MBA algorithm could be applied to a wide dynamic range of waters. Applying the algorithm to a simulated non-"Case 1" data set, which has no relation to the development of the algorithm, the percentage error for the total absorption coefficient at 440 nm a (sub 440) is approximately 12% for a range of 0.012 - 2.1 per meter (approximately 6% for a (sub 440) less than approximately 0.3 per meter), while a traditional band-ratio approach returns a percentage error of approximately 30%. Applying it to a field data set ranging from 0.025 to 2.0 per meter, the result for a (sub 440) is very close to that using a full spectrum optimization technique (9.6% difference). Compared to the optimization approach, the MBA algorithm cuts the computation time dramatically with only a small sacrifice in accuracy, making it suitable for processing large data sets such as satellite images. Significant improvements over empirical algorithms have also been achieved in retrieving the optical properties of optically deep waters.

  9. Efficient tissue ablation using a laser tunable in the water absorption band at 3 microns with little collateral damage

    NASA Astrophysics Data System (ADS)

    Nierlich, Alexandra; Chuchumishev, Danail; Nagel, Elizabeth; Marinova, Kristiana; Philipov, Stanislav; Fiebig, Torsten; Buchvarov, Ivan; Richter, Claus-Peter

    2014-03-01

    Lasers can significantly advance medical diagnostics and treatment. At high power, they are typically used as cutting tools during surgery. For lasers that are used as knifes, radiation wavelengths in the far ultraviolet and in the near infrared spectral regions are favored because tissue has high contents of collagen and water. Collagen has an absorption peak around 190 nm, while water is in the near infrared around 3,000 nm. Changing the wavelength across the absorption peak will result in significant differences in laser tissue interactions. Tunable lasers in the infrared that could optimize the laser tissue interaction for ablation and/or coagulation are not available until now besides the Free Electron Laser (FEL). Here we demonstrate efficient tissue ablation using a table-top mid-IR laser tunable between 3,000 to 3,500 nm. A detailed study of the ablation has been conducted in different tissues. Little collateral thermal damage has been found at a distance above 10-20 microns from the ablated surface. Furthermore, little mechanical damage could be seen in conventional histology and by examination of birefringent activity of the samples using a pair of cross polarizing filters.

  10. Temporary threshold shifts and recovery in a harbor porpoise (Phocoena phocoena) after octave-band noise at 4 kHz.

    PubMed

    Kastelein, Ronald A; Gransier, Robin; Hoek, Lean; Olthuis, Juul

    2012-11-01

    Safety criteria for underwater sound produced during offshore pile driving are needed to protect marine mammals. A harbor porpoise was exposed to fatiguing noise at 18 sound pressure level (SPL) and duration combinations. Its temporary hearing threshold shift (TTS) and hearing recovery were quantified with a psychoacoustic technique. Octave-band white noise centered at 4 kHz was the fatiguing stimulus at three mean received SPLs (124, 136, and 148 dB re 1 μPa) and at six durations (7.5, 15, 30, 60, 120, and 240 min). Approximate received sound exposure levels (SELs) varied between 151 and 190 dB re 1 μPa(2) s. Hearing thresholds were determined for a narrow-band frequency-swept sine wave (3.9-4.1 kHz; 1 s) before exposure to the fatiguing noise, and at 1-4, 4-8, 8-12, 48, and 96 min after exposure. The lowest SEL (151 dB re 1 μPa(2) s) which caused a significant TTS(1-4) was due to exposure to an SPL of 124 dB re 1 μPa for 7.5 min. The maximum TTS(1-4), induced after a 240 min exposure to 148 dB re 1 μPa, was around 15 dB at a SEL of 190 dB re 1 μPa(2) s. Recovery time following TTS varied between 4 min and under 96 min, depending on the exposure level, duration, and the TTS induced.

  11. Absolute Absorption Intensities in the Fundamental nu2 and nu5 Bands of 12CH3F.

    PubMed

    Lepère; Blanquet; Walrand; Tarrago

    1998-06-01

    The absolute strengths of 93 lines belonging to the nu2 and nu5 bands of methyl fluoride were measured in the range of 1416-1503 cm-1 using a tunable diode-laser (TDL) spectrometer. These experimental line intensities were obtained from the equivalent width method. The intensities were analyzed within a dyad system, required to account properly for the strong Coriolis coupling between nu2 and nu5. The fit to the experimental data led to the determination of the dipole moment derivatives partial differentialµ/ partial differentialq2 and partial differentialµ/ partial differentialq5, as well as the first-order Herman-Wallis correction in K to partial differentialµ/ partial differentialq5. The intensities were reproduced with an overall standard deviation of 1.44%, to be compared with a mean experimental uncertainty equal to 1.58%. The values derived for the vibrational band strengths of nu2 and nu5 are 2.124 (18) cm-2.atm-1 and 36.96 cm-2.atm-1 at 296 K, respectively. Copyright 1998 Academic Press.

  12. Ion irradiation of carbonaceous interstellar analogues. Effects of cosmic rays on the 3.4 μm interstellar absorption band

    NASA Astrophysics Data System (ADS)

    Godard, M.; Féraud, G.; Chabot, M.; Carpentier, Y.; Pino, T.; Brunetto, R.; Duprat, J.; Engrand, C.; Bréchignac, P.; D'Hendecourt, L.; Dartois, E.

    2011-05-01

    Context. A 3.4 μm absorption band (around 2900 cm-1), assigned to aliphatic C-H stretching modes of hydrogenated amorphous carbons (a-C:H), is widely observed in the diffuse interstellar medium, but disappears or is modified in dense clouds. This spectral difference between different phases of the interstellar medium reflects the processing of dust in different environments. Cosmic ray bombardment is one of the interstellar processes that make carbonaceous dust evolve. Aims: We investigate the effects of cosmic rays on the interstellar 3.4 μm absorption band carriers. Methods: Samples of carbonaceous interstellar analogues (a-C:H and soot) were irradiated at room temperature by swift ions with energy in the MeV range (from 0.2 to 160 MeV). The dehydrogenation and chemical bonding modifications that occurred during irradiation were studied with IR spectroscopy. Results: For all samples and all ions/energies used, we observed a decrease of the aliphatic C-H absorption bands intensity with the ion fluence. This evolution agrees with a model that describes the hydrogen loss as caused by the molecular recombination of two free H atoms created by the breaking of C-H bonds by the impinging ions. The corresponding destruction cross section and asymptotic hydrogen content are obtained for each experiment and their behaviour over a large range of ion stopping powers are inferred. Using elemental abundances and energy distributions of galactic cosmic rays, we investigated the implications of these results in different astrophysical environments. The results are compared to the processing by UV photons and H atoms in different regions of the interstellar medium. Conclusions: The destruction of aliphatic C-H bonds by cosmic rays occurs in characteristic times of a few 108 years, and it appears that even at longer time scales, cosmic rays alone cannot explain the observed disappearance of this spectral signature in dense regions. In diffuse interstellar medium, the formation

  13. Mapping sound intensities by seating position in a university concert band: A risk of hearing loss, temporary threshold shifts, and comparisons with standards of OSHA and NIOSH

    NASA Astrophysics Data System (ADS)

    Holland, Nicholas Vedder, III

    Exposure to loud sounds is one of the leading causes of hearing loss in the United States. The purpose of the current research was to measure the sound pressure levels generated within a university concert band and determine if those levels exceeded permissible sound limits for exposure according to criteria set by the Occupational Safety and Health Administration (OSHA) and the National Institute of Occupational Safety and Health (NIOSH). Time-weighted averages (TWA) were obtained via a dosimeter during six rehearsals for nine members of the ensemble (plus the conductor), who were seated in frontal proximity to "instruments of power" (trumpets, trombones, and percussion; (Backus, 1977). Subjects received audiometer tests prior to and after each rehearsal to determine any temporary threshold shifts (TTS). Single sample t tests were calculated to compare TWA means and the maximum sound intensity exposures set by OSHA and NIOSH. Correlations were calculated between TWAs and TTSs, as well as TTSs and the number of semesters subjects reported being seated in proximity to instruments of power. The TWA-OSHA mean of 90.2 dBA was not significantly greater than the specified OSHA maximum standard of 90.0 dBA (p > .05). The TWA-NIOSH mean of 93.1 dBA was, however, significantly greater than the NIOSH specified maximum standard of 85.0 dBA (p < .05). The correlation between TWAs and TTSs was considered weak (r = .21 for OSHA, r = .20 for NIOSH); the correlation between TTSs and semesters of proximity to instruments of power was also considered weak (r = .13). TWAs cumulatively exceeded both association's sound exposure limits at 11 specified locations (nine subjects and both ears of the conductor) throughout the concert band's rehearsals. In addition, hearing acuity, as determined by TTSs, was substantially affected negatively by the intensities produced in the concert band. The researcher concluded that conductors, as well as their performers, must be aware of possible

  14. Fusion of Aequorea victoria GFP and aequorin provides their Ca(2+)-induced interaction that results in red shift of GFP absorption and efficient bioluminescence energy transfer.

    PubMed

    Gorokhovatsky, Andrey Yu; Marchenkov, Victor V; Rudenko, Natalia V; Ivashina, Tanya V; Ksenzenko, Vladimir N; Burkhardt, Nils; Semisotnov, Gennady V; Vinokurov, Leonid M; Alakhov, Yuli B

    2004-07-30

    The bioluminescence emitted by Aequorea victoria jellyfish is greenish while its single bioluminescent photoprotein aequorin emits blue light. This phenomenon may be explained by a bioluminescence resonance energy transfer (BRET) from aequorin chromophore to green fluorescent protein (GFP) co-localized with it. However, a slight overlapping of the aequorin bioluminescence spectrum with the GFP absorption spectrum and the absence of marked interaction between these proteins in vitro pose a question on the mechanism providing the efficient BRET in A. victoria. Here we report the in vitro study of BRET between homologous Ca(2+)-activated photoproteins, aequorin or obelin (Obelia longissima), as bioluminescence energy donors, and GFP, as an acceptor. The fusions containing donor and acceptor proteins linked by a 19 aa peptide were purified after expressing their genes in Escherichia coli cells. It was shown that the GFP-aequorin fusion has a significantly greater BRET efficiency, compared to the GFP-obelin fusion. Two main factors responsible for the difference in BRET efficiency of these fusions were revealed. First, it is the presence of Ca(2+)-induced interaction between the donor and acceptor in the aequorin-containing fusion and the absence of the interaction in the obelin-containing fusion. Second, it is a red shift of GFP absorption toward better overlapping with aequorin bioluminescence induced by the interaction of aequorin with GFP. Since the connection of the two proteins in vitro mimics their proximity in vivo, Ca(2+)-induced interaction between aequorin and GFP may occur in A. victoria jellyfish providing efficient BRET in this organism.

  15. First laboratory detection of an absorption line of the first overtone electric quadrupolar band of N2 by CRDS near 2.2 μm

    NASA Astrophysics Data System (ADS)

    Čermák, P.; Vasilchenko, S.; Mondelain, D.; Kassi, S.; Campargue, A.

    2017-01-01

    The extremely weak 2-0 O(14) electric quadrupole transition of N2 has been detected by very high sensitivity Cavity Ring Down spectroscopy near 4518 cm-1. It is the first N2 absorption line in the first overtone band reported so far from laboratory experiments. By combining a feedback narrowed Distributed Feedback laser diode with a passive cell tracking technique, a limit of detection of αmin ∼ 1.2 × 10-11 cm-1 was achieved after one day of spectra averaging. The N2 2-0 O(14) line position and line intensity (about 1.5 × 10-30 cm/molecule) agree with calculated values provided in the HITRAN2012 database.

  16. Confinement effect of laser ablation plume in liquids probed by self-absorption of C{sub 2} Swan band emission

    SciTech Connect

    Sakka, Tetsuo; Saito, Kotaro; Ogata, Yukio H.

    2005-01-01

    The (0,0) Swan band of the C{sub 2} molecules in a laser ablation plume produced on the surface of graphite target submerged in water was used as a probe to estimate the density of C{sub 2} molecules in the plume. Observed emission spectra were reproduced excellently by introducing a self-absorption parameter to the theoretical spectral profile expected by a rotational population distribution at a certain temperature. The optical density of the ablation plume as a function of time was determined as a best-fit parameter by the quantitative fitting of the whole spectral profile. The results show high optical densities for the laser ablation plume in water compared with that in air. It is related to the plume confinement or the expansion, which are the important phenomena influencing the characteristics of laser ablation plumes in liquids.

  17. Tentative identification of the 780/cm nu-4 band Q branch of chlorine nitrate in high-resolution solar absorption spectra of the stratosphere

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Goldman, A.; Murcray, D. G.; Murcray, F. J.; Malathy Devi, V.

    1985-01-01

    According to models of the photochemistry of the stratosphere, chlorine nitrate (ClONO2) is an important temporary reservoir of stratospheric chlorine. At night, ClO is believed to combine in a three-body reaction with NO2 to form chlorine nitrate. During daylight, chlorine nitrate is destroyed by photolysis to form free chlorine and NO3. Infrared spectroscopy has the potential to provide a technique for conducting important quantitative measurements of stratospheric chlorine nitrate. The present paper reports a detailed study of spectra in the 780/cm region. This study has led to the tentative identification of the nu-4 band Q branch of ClONO2 as a significant contributor to the observed stratospheric absorption near 780.21 per cm.

  18. Pressure Swing Absorption Device and Process for Separating CO{sub 2} from Shifted Syngas and its Capture for Subsequent Storage

    SciTech Connect

    Sirkar, Kamalesh; Jie, Xingming; Chau, John; Obuskovic, Gordana

    2013-03-31

    Using the ionic liquid (IL) 1-butyl-3-methylimidazolium dicyanamide ([bmim][DCA]) as the absorbent on the shell side of a membrane module containing either a porous hydrophobized ceramic tubule or porous hydrophobized polyether ether ketone (PEEK) hollow fiber membranes, studies for CO{sub 2} removal from hot simulated pre-combustion shifted syngas were carried out by a novel pressure swing membrane absorption (PSMAB) process. Helium was used as a surrogate for H{sub 2} in a simulated shifted syngas with CO{sub 2} around 40% (dry gas basis). In this cyclic separation process, the membrane module was used to achieve non-dispersive gas absorption from a high-pressure feed gas (689-1724 kPag; 100-250 psig) at temperatures between 25-1000C into a stationary absorbent liquid on the module shell side during a certain part of the cycle followed by among other cycle steps controlled desorption of the absorbed gases from the liquid in the rest of the cycle. Two product streams were obtained, one He-rich and the other CO{sub 2}-rich. Addition of polyamidoamine (PAMAM) dendrimer of generation 0 to IL [bmim][DCA] improved the system performance at higher temperatures. The solubilities of CO{sub 2} and He were determined in the ionic liquid with or without the dendrimer in solution as well as in the presence or absence of moisture; polyethylene glycol (PEG) 400 was also studied as a replacement for the IL. The solubility selectivity of the ionic liquid containing the dendrimer for CO{sub 2} over helium was considerably larger than that for the pure ionic liquid. The solubility of CO{sub 2} and CO{sub 2}-He solubility selectivity of PEG 400 and a solution of the dendrimer in PEG 400 were higher than the corresponding ones in the IL, [bmim][DCA]. A mathematical model was developed to describe the PSMAB process; a numerical solution of the governing equations described successfully the observed performance of the PSMAB process for the pure ionic liquid-based system.

  19. Microwave absorption in X and Ku band frequency of cotton fabric coated with Ni-Zn ferrite and carbon formulation in polyurethane matrix

    NASA Astrophysics Data System (ADS)

    Gupta, K. K.; Abbas, S. M.; Goswami, T. H.; Abhyankar, A. C.

    2014-08-01

    The present study highlights various microwave properties, i.e. reflection, transmission, absorption and reflection loss, of the coated cotton fabric [formulation: Ni-Zn ferrite (Ni 0.5Zn0.5Fe2O4) and carbon black (acetylene black) at concentrations of 30, 40, 50, 60 and70 g of ferrite and 5 g carbon in each 100 ml polyurethane] evaluated at 8-18 GHz frequency. The uniform density of filling materials in coated fabrics (dotted marks in SEM micrograph) indicates homogeneous dispersion of conducting fillers in polyurethane and the density of filling material cluster increases with increase in ferrite concentration. SEM images also show uniform coating of conducting fillers/resin system over individual fibers and interweave spaces. The important parameters governing the microwave properties of coated fabrics i.e. permittivity and permeability, S-parameters, reflection loss, etc. were studied in a HVS free space microwave measurement system. The lossy character of coated fabric is found to increase with increase of ferrite content; the ferrite content decreases the impedance and increases the permittivity and permeability values. The 1.6-1.8 mm thick coated fabric sample (40 wt% ferrite, 3 wt% carbon and 57 wt% PU) has shown about 40% absorption, 20% transmission and 40% reflectance in X (8.2-12.4 GHz) and Ku (12-18 GHz) frequency bands. The reflection loss at 13.5 GHz has shown the highest peak value (22.5 dB) due to coated sample optical thickness equal to λ/4 and more than 7.5 dB in entire Ku band. Owing to its thin and flexible nature, the coated fabric can be used as apparel in protecting human being from hazardous microwaves and also as radar camouflage covering screen in defense.

  20. Optimization of absorption bands of dye-sensitized and perovskite tandem solar cells based on loss-in-potential values.

    PubMed

    Sobuś, Jan; Ziółek, Marcin

    2014-07-21

    A numerical study of optimal bandgaps of light absorbers in tandem solar cell configurations is presented with the main focus on dye-sensitized solar cells (DSSCs) and perovskite solar cells (PSCs). The limits in efficiency and the expected improvements of tandem structures are investigated as a function of total loss-in-potential (V(L)), incident photon to current efficiency (IPCE) and fill factor (FF) of individual components. It is shown that the optimal absorption onsets are significantly smaller than those derived for multi-junction devices. For example, for double-cell devices the onsets are at around 660 nm and 930 nm for DSSCs with iodide based electrolytes and at around 720 nm and 1100 nm for both DSSCs with cobalt based electrolytes and PSCs. Such configurations can increase the total sunlight conversion efficiency by about 35% in comparison to single-cell devices of the same VL, IPCE and FF. The relevance of such studies for tandem n-p DSSCs and for a proposed new configuration for PSCs is discussed. In particular, it is shown that maximum total losses of 1.7 V for DSSCs and 1.4 V for tandem PSCs are necessary to give any efficiency improvement with respect to the single bandgap device. This means, for example, a tandem n-p DSSC with TiO2 and NiO porous electrodes will hardly work better than the champion single DSSC. A source code of the program used for calculations is also provided.

  1. Optimal design and loss mechanism analysis of microwave absorbing unidirectional SiC fiber composites with broad absorption band and good polarization stability

    NASA Astrophysics Data System (ADS)

    Wan, Guangchao; Jiang, Jianjun; He, Yun; Bie, Shaowei

    2016-04-01

    A microwave-absorbing unidirectional SiC fiber composite with wide absorption and good polarization stability was designed by genetic algorithm. The anisotropic nature of unidirectional fiber composites was considered in the design by characterizing tensor permittivity. This special composite is composed of two kinds of SiC fibers that separately exhibit relatively high conductivity and low conductivity. The electromagnetic loss mechanism of this composite was examined for polarizations that differ in the electric field of the incident wave, applied either in the direction of the fiber or in the transverse direction, perpendicular to the fibers. For both polarizations, the absorption band of our composite can reach 6 GHz and the lowest microwave reflectivity was about -20 dB over a range of 8-18 GHz. When the electric field is polarized parallel to fibers, strong coupling among the high-conductivity fibers can induce a strong current and thus efficiently dissipate the electromagnetic energy. When the electric field is polarized perpendicular to fibers, the electromagnetic loss mechanism in the composite resembles the electric energy loss in capacitors and currents in the transverse direction are obstructed by the fibers resulting in attenuation of the electromagnetic energy in the matrix.

  2. Highly ordered monolayer/bilayer TiO2 hollow sphere films with widely tunable visible-light reflection and absorption bands.

    PubMed

    Li, Jie; Qin, Yao; Jin, Chao; Li, Ying; Shi, Donglu; Schmidt-Mende, Lukas; Gan, Lihua; Yang, Jinhu

    2013-06-07

    Monolayer and bilayer TiO2 hollow hemisphere/sphere (THH/THS) films consisting of highly ordered hexagonal-patterned THHs/THSs with thin shells of ~10 nm and different diameters of ~170 and ~470 nm have been prepared by templating of two-dimensional polystyrene sphere (PS) assembly films coupled with TiO2 sputtering/wet coating approaches. Owing to their precisely adjustable structural parameters, such as THH/THS shape and diameter as well as film layer thickness, the prepared THH/THS films exhibit widely tunable visible-light reflection and absorption bands, i.e. from 380 to 850 nm for reflection and 390 to 520 nm for absorption, respectively. The mechanism of the novel optical behaviors of the THH/THS films has been discussed in depth, combined with some calculations according to Bragg's law. In addition, photocatalytic experiments of RhB degradation employing the THH/THS films as recyclable catalysts have been conducted. The THH/THS films with controlled structures and precisely tunable optical properties are attractive for a wide range of applications, such as recyclable catalysts for photocatalysis, efficient oxide electrodes or scattering layers for solar cells, gas-permeable electrode materials for high-performance sensors and so on.

  3. Iron-absorption band analysis for the discrimination of iron-rich zones. [infrared spectral reflectance of Nevada iron deposits

    NASA Technical Reports Server (NTRS)

    Rowan, L. C. (Principal Investigator)

    1974-01-01

    The author has identified the following significant results. Most major rock units and unaltered and altered areas in the study area can be discriminated on the basis of visible and near-infrared spectral reflectivity differences recorded from satellite altitude. These subtle spectral differences are detectable by digital ratioing of the MSS bands and subsequent stretching to increase the contrast to enhance spectral differences. Hydrothermally altered areas appear as anomalous color patches within the volcanic-rock areas. A map has been prepared which can be regarded as an excellent reconnaissance exploration map, for use in targeting areas for more detailed geological, geochemical, and geophysical studies. Mafic and felsic rock types are easily discriminated on the color stretched-ratio composite. The ratioing process minimizes albedo effects, leaving only the recorded characteristic spectral response. The spectra of unaltered rocks appear different from those of altered rocks, which are typically dominated by limonite and clay minerals. It seems clear that differences in spectral shape can provide a basis for discrimination of geologic material, although the relations between visible and near-infrared spectral reflectivity and mineralogical composition are not yet entirely understood.

  4. Electromagnetic properties and microwave absorption properties of BaTiO 3-carbonyl iron composite in S and C bands

    NASA Astrophysics Data System (ADS)

    Rui-gang, Yang

    2011-07-01

    BaTiO3 powders are prepared by sol-gel method. The carbonyl iron powder is prepared via thermal decomposition of iron pentacarbonyl. Then BaTiO3-carbonyl iron composite with different mixture ratios was prepared using the as-prepared material. The structure, morphology, and properties of the composites are characterized using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction, scanning electron microscopy (SEM), and a network analyzer. The complex permittivity and reflection loss of the composites have been measured at different microwave frequencies in S- and C-bands employing vector network analyzer model PNA 3629D vector. The effect of the mass ratio of BaTiO3/carbonyl iron on the microwave loss properties of the composites is investigated. A possible microwave absorbing mechanism of BaTiO3-carbonyl iron composite has been proposed. The BaTiO3-carbonyl iron composite can find applications in suppression of electromagnetic interference, and reduction of radar signature.

  5. Cavity Ringdown Absorption Spectrum of the T_1(n,π*) ← S_0 Transition of Acrolein: Analysis of the 0^0_0 Band Rotational Contour

    NASA Astrophysics Data System (ADS)

    Hlavacek, Nikolaus C.; McAnally, Michael O.; Drucker, Stephen

    2012-06-01

    Acrolein (propenal, CH_2=CH---CH=O) is the simplest conjugated enal molecule and serves as a prototype for investigating the photochemical properties of larger enals and enones. Acrolein has a coplanar arrangement of heavy atoms in its ground electronic state. Much of the photochemistry is mediated by the T_1(π,π*) state, which has a CH_2--twisted equilibrium structure. In solution, the T_1(π,π*) state is typically accessed via intersystem crossing from an intially prepared planar S_1(n,π*) state. An intermediate in this photophysical transformation is the lowest ^3 (n,π*) state, a planar species with adiabatic excitation energy below S_1 and above T_1(π,π*). The present work focuses on this ^3 (n,π*) intermediate state; it is designated T_1(n,π*) as the lowest-energy triplet state of acrolein having a planar equilibrium structure. The T_1(n,π*) ← S_0 band system, with origin near 412 nm, was first recorded in the 1970s at medium (0.5 cm-1) resolution using a long-path absorption cell. Here we report the cavity ringdown spectrum of the 0^0_0 band, recorded using a pulsed dye laser with 0.1 cm-1 spectral bandwidth. The spectrum was measured under both bulk-gas (room-temperature) and jet-cooled conditions. The band contour in each spectrum was analyzed by using a computer program developed for simulating and fitting the rotational structure of singlet-triplet transitions. The assignment of several resolved sub-band heads in the room-temperature spectrum permitted approximate fitting of the inertial constants for the T_1(n,π*) state. The determined values (cm-1) are A=1.662, B=0.1485, C=0.1363. For the parameters A and (B+C)/2, estimated uncertainties of ± 0.003 cm-1 and ± 0.0004 cm-1, respectively, correspond to a range of values that produce qualitatively satisfactory global agreement with the observed room-temperature contour. The fitted inertial constants were used to simulate the rotational contour of the 0^0_0 band under jet-cooled conditions

  6. Strain and temperature dependent absorption spectra studies for identifying the phase structure and band gap of EuTiO3 perovskite films.

    PubMed

    Jiang, Kai; Zhao, Run; Zhang, Peng; Deng, Qinglin; Zhang, Jinzhong; Li, Wenwu; Hu, Zhigao; Yang, Hao; Chu, Junhao

    2015-12-21

    Post-annealing has been approved to effectively relax the out-of-plane strain in thin films. Epitaxial EuTiO3 (ETO) thin films, with and without strain, have been fabricated on (001) LaAlO3 substrates by pulsed laser deposition. The absorption and electronic transitions of the ETO thin films are investigated by means of temperature dependent transmittance spectra. The antiferrodistortive phase transition can be found at about 260-280 K. The first-principles calculations indicate there are two interband electronic transitions in ETO films. Remarkably, the direct optical band gap and higher interband transition for ETO films show variation in trends with different strains and temperatures. The strain leads to a band gap shrinkage of about 240 meV while the higher interband transition an expansion of about 140 meV. The hardening of the interband transition energies in ETO films with increasing temperature can be attributed to the Fröhlich electron-phonon interaction. The behavior can be linked to the strain and low temperature modified valence electronic structure, which is associated with rotations of the TiO6 octahedra.

  7. Estimation of ground and excited state dipole moment of laser dyes C504T and C521T using solvatochromic shifts of absorption and fluorescence spectra

    NASA Astrophysics Data System (ADS)

    Basavaraja, Jana; Suresh Kumar, H. M.; Inamdar, S. R.; Wari, M. N.

    2016-02-01

    The absorption and fluorescence spectra of laser dyes: coumarin 504T (C504T) and coumarin 521T (C521T) have been recorded at room temperature in a series of non-polar and polar solvents. The spectra of these dyes showed bathochromic shift with increasing in solvent polarity indicating the involvement of π → π* transition. Kamlet-Taft and Catalan solvent parameters were used to analyze the effect of solvents on C504T and C521T molecules. The study reveals that both general solute-solvent interactions and specific interactions are operative in these two systems. The ground state dipole moment was estimated using Guggenheim's method and also by quantum mechanical calculations. The solvatochromic data were used to determine the excited state dipole moment (μe). It is observed that dipole moment value of excited state (μe) is higher than that of the ground state in both the laser dyes indicating that these dyes are more polar in nature in the excited state than in the ground state.

  8. Photophysical and photochemical parameters of octakis (benzylthio) phthalocyaninato zinc, aluminium and tin: Red shift index concept in solvent effect on the ground state absorption of zinc phthalocyanine derivatives

    NASA Astrophysics Data System (ADS)

    Akpe, Victor; Brismar, Hjalmar; Nyokong, Tebello; Osadebe, P. O.

    2010-12-01

    This paper addresses the synthesis of octa-substituted benzylthio metallophthalocyanines (OBTMPcs) that contain the central metal ions of Zn 2+, Al 3+ and Sn 4+. The ground state absorption of ZnPc(SR) 8 (OBTZnPc) along with the ZnPc derivatives, well documented in literature were used to study a new concept called the red shift index ( R sI ). The concept is based on the empirical values of R sI of the different complexes in solvent media. Unequivocally, parameters used in this paper show strong correlations that are consistent with the results obtained. For instance, R sI of the complexes tend to increase as the refractive index, n D, and solvent donor, DN, of solvent increases. Photodegradation (photobleaching) quantum yield, ϕ d measurements of these compounds show that they are highly photostable, ϕ d (0.03-0.33 × 10 -5). The triplet quantum yield, ϕ T (0.40-0.53) and the triplet lifetime, τ T (610-810 μs) are within the typical range for metallophthalocyanines in DMSO. The photosensitisation efficiency, SΔ, is relatively high for all the molecules (0.74-0.90).

  9. Estimation of ground and excited state dipole moment of laser dyes C504T and C521T using solvatochromic shifts of absorption and fluorescence spectra.

    PubMed

    Basavaraja, Jana; Kumar, H M Suresh; Inamdar, S R; Wari, M N

    2016-02-05

    The absorption and fluorescence spectra of laser dyes: coumarin 504T (C504T) and coumarin 521T (C521T) have been recorded at room temperature in a series of non-polar and polar solvents. The spectra of these dyes showed bathochromic shift with increasing in solvent polarity indicating the involvement of π→π⁎ transition. Kamlet-Taft and Catalan solvent parameters were used to analyze the effect of solvents on C504T and C521T molecules. The study reveals that both general solute-solvent interactions and specific interactions are operative in these two systems. The ground state dipole moment was estimated using Guggenheim's method and also by quantum mechanical calculations. The solvatochromic data were used to determine the excited state dipole moment (μ(e)). It is observed that dipole moment value of excited state (μ(e)) is higher than that of the ground state in both the laser dyes indicating that these dyes are more polar in nature in the excited state than in the ground state.

  10. Genetic makeup of the Corynebacterium glutamicum LexA regulon deduced from comparative transcriptomics and in vitro DNA band shift assays.

    PubMed

    Jochmann, Nina; Kurze, Anna-Katharina; Czaja, Lisa F; Brinkrolf, Karina; Brune, Iris; Hüser, Andrea T; Hansmeier, Nicole; Pühler, Alfred; Borovok, Ilya; Tauch, Andreas

    2009-05-01

    The lexA gene of Corynebacterium glutamicum ATCC 13032 was deleted to create the mutant strain C. glutamicum NJ2114, which has an elongated cell morphology and an increased doubling time. To characterize the SOS regulon in C. glutamicum, the transcriptomes of NJ2114 and a DNA-damage-induced wild-type strain were compared with that of a wild-type control using DNA microarray hybridization. The expression data were combined with bioinformatic pattern searches for LexA binding sites, leading to the detection of 46 potential SOS boxes located upstream of differentially expressed transcription units. Binding of a hexahistidyl-tagged LexA protein to 40 double-stranded oligonucleotides containing the potential SOS boxes was demonstrated in vitro by DNA band shift assays. It turned out that LexA binds not only to SOS boxes in the promoter-operator region of upregulated genes, but also to SOS boxes detected upstream of downregulated genes. These results demonstrated that LexA controls directly the expression of at least 48 SOS genes organized in 36 transcription units. The deduced genes encode a variety of physiological functions, many of them involved in DNA repair and survival after DNA damage, but nearly half of them have hitherto unknown functions. Alignment of the LexA binding sites allowed the corynebacterial SOS box consensus sequence TcGAA(a/c)AnnTGTtCGA to be deduced. Furthermore, the common intergenic region of lexA and the differentially expressed divS-nrdR operon, encoding a cell division suppressor and a regulator of deoxyribonucleotide biosynthesis, was characterized in detail. Promoter mapping revealed differences in divS-nrdR expression during SOS response and normal growth conditions. One of the four LexA binding sites detected in the intergenic region is involved in regulating divS-nrdR transcription, whereas the other sites are apparently used for negative autoregulation of lexA expression.

  11. Hearing threshold shifts and recovery in harbor seals (Phoca vitulina) after octave-band noise exposure at 4 kHz.

    PubMed

    Kastelein, Ronald A; Gransier, Robin; Hoek, Lean; Macleod, Amy; Terhune, John M

    2012-10-01

    Safety criteria for underwater sounds from offshore pile driving are needed to protect marine mammals. As a first step toward understanding effects of impulsive sounds, two harbor seals were exposed to octave-band white noise centered at 4 kHz at three mean received sound pressure levels (SPLs; 124, 136, and 148 dB re 1 μPa) at up to six durations (7.5, 15, 30, 60, 120, and 240 min); mean received sound exposure level (SEL) range was 166-190 dB re 1 μPa(2) s. Hearing thresholds were determined before and after exposure. Temporary hearing threshold shifts (TTS) and subsequent recovery were quantified as changes in hearing thresholds at 1-4, 4-8, 8-12, 48, and 96 min after noise exposure in seal 01, and at 12-16, 16-20, 20-24, 60, and 108 min after exposure in seal 02. Maximum TTS (1-4 min after 120 min exposure to 148 dB re 1 μPa; 187 dB SEL) was 10 dB. Recovery occurred within ~60 min. Statistically significant TTSs (>2.5 dB) began to occur at SELs of ~170 (136 SPL, 60 min) and 178 dB re 1 μPa(2) s (148 SPL, 15 min). However, SEL is not an optimal predictor of TTS for long duration, low SPL continuous noise, as duration and SPL play unequal roles in determining induced TTS.

  12. Temperature Dependences for Air-broadened Widths and Shift Coefficients in the 30013 - 00001 and 30012 - 00001 Bands of Carbon Dioxide near 1600 nm

    NASA Astrophysics Data System (ADS)

    Devi, M.; Predoi-Cross, A.; McKellar, R.; Benner, C.; Miller, C. E.; Toth, R. A.; Brown, L. R.

    2008-12-01

    Nearly 40 high resolution spectra of air-broadened CO2 recorded at temperatures between 215 and 294 K were analyzed using a multispectrum nonlinear least squares technique to determine temperature dependences of air-broadened half width and air-induced pressure shift coefficients in the 30013-00001 and 30012-00001 bands of 12CO2. Data were recorded with two different Fourier transform spectrometers (Kitt Peak FTS at the National Solar Observatory in Arizona and the Bomem FTS at NRC, Ottawa) with optical path lengths ranging between 25 m and 121 m. The sample pressures varied between 11 torr (pure CO2) and 924 torr (CO2-air) with volume mixing ratios of CO2 in air between ~ 0.015 and 0.11. To minimize systematic errors and increase the accuracy of the retrieved parameters, we constrained the multispectrum nonlinear least squares fittings to use quantum mechanical expressions for the rovibrational energies and intensities rather than retrieving the individual positions and intensities line-by-line. The results suggest minimal vibrational dependence for the temperature dependence coefficients.1 1 A. Predoi-Cross and R. Mckellar are grateful for financial support from the National Sciences and Engineering Research Council of Canada. The research at the Jet Propulsion laboratory (JPL), California Institute of Technology, was performed under contract with National Aeronautics and Space Administration. The support received from the National Science Foundation under Grant No. ATM-0338475 to the College of William and Mary is greatly appreciated. The authors thank Mike Dulick of the National Solar Observatory for his assistance in obtaining the data recorded at Kitt Peak.

  13. Modelling of Collision Induced Absorption Spectra Of H2-H2 Pairs for the Planetary Atmospheres Structure: The Second Overtone Band

    NASA Technical Reports Server (NTRS)

    Borysow, Aleksandra; Borysow, Jacek I.

    1998-01-01

    The main objective of the proposal was to model the collision induced, second overtone band of gaseous hydrogen at low temperatures. The aim of this work is to assist planetary scientists in their investigation of planetary atmospheres, mainly those of Uranus and Neptune. The recently completed extended database of collision induced dipole moments of hydrogen pairs allowed us, for the first time, to obtain dipole moment matrix elements responsible for the roto-vibrational collision induced absorption spectra of H2-H2 in the second overtone band. Despite our numerous attempts to publish those data, the enormous volume of the database did not allow us to do this. Instead, we deposited the data on a www site. The final part of this work has been partially supported by NASA, Division for Planetary Atmospheres. In order to use our new data for modelling purpose, we first needed to test how well we can reproduce the existing experimental data from theory, when using our new input data. Two papers resulted from this work. The obtained agreement between theoretical results and the measurements appeared to be within 10-30%. The obviously poorer agreement than observed for the first H2 overtone, the fundamental, and the rototranslational bands can be attributed to the fact that dipole moments responsible for the second overtone are much weaker, therefore susceptible to larger numerical uncertainties. At the same time, the intensity of the second overtone band is much weaker and therefore it is much harder to be measured accurately in the laboratory. We need to point out that until now, no dependable model of the 2nd overtone band was available for modelling of the planetary atmospheres. The only one, often referred to in previous works on Uranian and Neptune's atmospheres, uses only one lineshape, with one (or two) parameter(s) deduced at the effective temperature of Uranus (by fitting the planetary observation). After that, the parameter(s) was(were) made temperature

  14. A search for formic acid in the upper troposphere - A tentative identification of the 1105-per cm nu-6 band Q branch in high-resolution balloon-borne solar absorption spectra

    NASA Technical Reports Server (NTRS)

    Goldman, A.; Murcray, F. H.; Murcray, D. G.; Rinsland, C. P.

    1984-01-01

    Infrared solar absorption spectra recorded at 0.02-per cm resolution during a balloon flight from Alamogordo, NM (33 deg N), on March 23, 1981, have been analyzed for the possible presence of absorption by formic acid (HCOOH). An absorption feature at 1105 per cm has been tentatively identified in upper tropospheric spectra as due to the nu-6 band Q branch. A preliminary analysis indicates a concentration of about 0.6 ppbv and 0.4 ppbv near 8 and 10 km, respectively.

  15. Infrared absorption spectra of molecular crystals: Possible evidence for small-polaron formation?

    NASA Astrophysics Data System (ADS)

    Pržulj, Željko; Čevizović, Dalibor; Zeković, Slobodan; Ivić, Zoran

    2008-09-01

    The temperature dependence of the position of the so-called anomalous band peaked at 1650cm in the IR-absorption spectrum of crystalline acetanilide (ACN) is theoretically investigated within the small-polaron theory. Its pronounced shift towards the position of the normal band is predicted with the rise of temperature. Interpretation of the IR-absorption spectra in terms of small-polaron model has been critically assessed on the basis of these results.

  16. Molecular design of TiO2 for gigantic red shift via sublattice substitution.

    PubMed

    Shao, Guosheng; Deng, Quanrong; Wan, Lin; Guo, Meilan; Xia, Xiaohong; Gao, Yun

    2010-11-01

    The effects of 3d transition metal doping in TiO2 phases have been simulated in detail. The results of modelling indicate that Mn has the biggest potential among 3d transition metals, for the reduction of energy gap and the introduction of effective intermediate bands to allow multi-band optical absorption. On the basis of theoretical formulation, we have incorporated considerable amount of Mn in nano-crystalline TiO2 materials. Mn doped samples demonstrate significant red shift in the optical absorption edge, with a secondary absorption edge corresponding to theoretically predicted intermediate bands/states. The gigantic red shift achievable in Mn-doped TiO2 is expected to extend the useful TiO2 functionalities well beyond the UV threshold via the optical absorption of both visible and infrared photon irradiance.

  17. Cloud top height retrieval using the imaging polarimeter (3MI) top-of-atmosphere reflectance measurements in the oxygen absorption band

    NASA Astrophysics Data System (ADS)

    Kokhanovsky, Alexander; Munro, Rose

    2016-04-01

    The determination of cloud top height from a satellite has a number of applications both for climate studies and aviation safety. A great variety of methods are applied using both active and passive observation systems in the optical and microwave spectral regions. One of the most popular methods with good spatial coverage is based on the measurement of outgoing radiation in the spectral range where oxygen strongly absorbs incoming solar light. Clouds shield tropospheric oxygen reducing the depth of the corresponding absorption line as detected by a satellite instrument. Radiative transfer models are used to connect the solar light reflectance, e.g., in the oxygen A-band located around 761nm, and the cloud top height. The inverse problem is then solved e.g. using look-up tables, to determine the cloud top height. In this paper we propose a new fast and robust oxygen A-band method for the retrieval of cloud altitude using the Multi-viewing Multi-channel Multi-polarization Imaging instrument (3MI) on board the EUMETSAT Polar System Second Generation (EPS-SG). The 3MI measures the intensity at the wavelengths of 410, 443, 490, 555, 670, 763, 765, 865, 910, 1370, 1650, and 2130nm, and (for selected channels) the second and third Stokes vector components which allows the degree of linear polarization and the polarization orientation angle of reflected solar light to be derived at up to 14 observation angles. The instrument response function (to a first approximation) can be modelled by a Gaussian distribution with the full width at half maximum (FWHM) equal to 20nm for all channels except 765nm, 865nm, 1370nm, 1650nm, and 2130nm, where it is equal to 40nm. The FWHM at 763nm (the oxygen A-band location) is equal to 10nm. The following 3MI channels are used in the retrieval procedure: 670, 763, and 865nm. The channels at 670 and 865 nm are not affected by the oxygen absorption. The channel at 763nm is affected by the oxygen concentration vertical profile. The higher

  18. Resonance Raman intensity analysis of the excited state proton transfer dynamics of 2-nitrophenol in the charge-transfer band absorption

    SciTech Connect

    Wang Yaqiong; Wang Huigang; Zhang Shuqiang; Pei Kemei; Zheng Xuming; Lee Phillips, David

    2006-12-07

    Resonance Raman spectra were obtained for 2-nitrophenol in cyclohexane solution with excitation wavelengths in resonance with the charge-transfer (CT) proton transfer band absorption. These spectra indicate that the Franck-Condon region photodissociation dynamics have multidimensional character with motion along more than 15 normal modes: the nominal CCH bend+CC stretch {nu}{sub 12} (1326 cm{sup -1}), the nominal CCC bend {nu}{sub 23} (564 cm{sup -1}), the nominal CO stretch+NO stretch+CC stretch {nu}{sub 14} (1250 cm{sup -1}), the nominal CCH bend+CC stretch+COH bend {nu}{sub 15} (1190 cm{sup -1}); the nominal CCH bend+CC stretch {nu}{sub 17} (1134 cm{sup -1}), the nominal CCC bend+CC stretch {nu}{sub 22} (669 cm{sup -1}), the nominal CCN bend {nu}{sub 27} (290 cm{sup -1}), the nominal NO{sub 2} bend+CC stretch {nu}{sub 21} (820 cm{sup -1}), the nominal CCO bend+CNO bend {nu}{sub 25} (428 cm{sup -1}), the nominal CC stretch {nu}{sub 7} (1590 cm{sup -1}), the nominal NO stretch {nu}{sub 8} (1538 cm{sup -1}), the nominal CCC bend+NO{sub 2} bend {nu}{sub 20} (870 cm{sup -1}), the nominal CC stretch {nu}{sub 6} (1617 cm{sup -1}), the nominal COH bend+CC stretch {nu}{sub 11} (1382 cm{sup -1}), nominal CCH bend+CC stretch {nu}{sub 9} (1472 cm{sup -1}). A preliminary resonance Raman intensity analysis was done and the results for 2-nitrophenol were compared to previously reported results for nitrobenzene, p-nitroaniline, and 2-hydroxyacetophenone. The authors briefly discuss the differences and similarities in the CT-band absorption excitation of 2-nitrophenol relative to those of nitrobenzene, p-nitroaniline, and 2-hydroxyacetophenone.

  19. New Laboratory Data on a Molecular Band at 4429 Å

    NASA Astrophysics Data System (ADS)

    Araki, M.; Linnartz, H.; Kolek, P.; Ding, H.; Boguslavskiy, A.; Denisov, A.; Schmidt, T. W.; Motylewski, T.; Cias, P.; Maier, J. P.

    2004-12-01

    New laboratory data are presented for the previously reported molecular absorption band at 4429 Å observed in a benzene plasma matching the strongest diffuse interstellar band (DIB) at 4428.9 Å. Gas-phase absorption spectra are presented for rotational temperatures of ~15 and 200 K. The observations indicate that it is unlikely that the laboratory band and the 4429 Å DIB are related. Eleven isomers of C5H5(+) and C6H5(+), both neutral and cationic, were considered as possible carriers of the laboratory band in view of the observed rotational profiles and deuterium isotope shifts. The experimental data and theoretical calculations (CASPT3, MRCI) indicate that the HCCHCHCHCH radical, a planar but nonlinear chain with one hydrogen on each carbon, is the most probable candidate causing the 4429 Å laboratory absorption.

  20. Application of surface pressure measurements of O2-band differential absorption radar system in three-dimensional data assimilation on hurricane: Part II - A quasi-observational study

    NASA Astrophysics Data System (ADS)

    Min, Qilong; Gong, Wei; Lin, Bing; Hu, Yongxiang

    2015-01-01

    This is the second part on assessing the impacts of assimilating various distributions of sea-level pressure (SLP) on hurricane simulations, using the Weather and Research Forecast (WRF) three dimensional variational data assimilation system (3DVAR). One key purpose of this series of study is to explore the potential of using remotely sensed sea surface barometric data from O2-band differential absorption radar system currently under development for server weather including hurricane forecasts. In this part II we further validate the conclusions of observational system simulation experiments (OSSEs) in the part I using observed SLP for three hurricanes that passed over the Florida peninsula. Three SLP patterns are tested again, including all available data near the Florida peninsula, and a band of observations either through the center or tangent to the hurricane position. Before the assimilation, a vortex SLP reconstruction technique is employed for the use of observed SLP as discussed in the part I. In agreement with the results from OSSEs, the performance of assimilating SLP is enhanced for the two hurricanes with stronger initial minimum SLP, leading to a significant improvement in the track and position relative to the control where no data are assimilated. On the other hand, however, the improvement in the hurricane intensity is generally limited to the first 24-48 h of integration, while a high resolution nested domain simulation, along with assimilation of SLP in the coarse domain, shows more profound improvement in the intensity. A diagnostic analysis of the potential vorticity suggests that the improved track forecasts are attributed to the combined effects of adjusting the steering wind fields in a consistent manner with having a deeper vortex, and the associated changes in the convective activity.

  1. The solvent dependent shift of the amide I band of a fully solvated peptide in methanol/water mixtures as a local probe for the solvent composition in the peptide/solvent interface

    SciTech Connect

    Gnanakaran, S

    2008-01-01

    We determine the shift and line-shape of the amide I band of a model AK-peptide from molecular dynamics (MD) simulations of the peptide dissolved in methanol/water mixtures with varying composition. The IR-spectra are determined from a transition dipole coupling exciton model. A simplified empirical model Hamiltonian is employed, taking both the effect of hydrogen bonding, as well as intramolecular vibrational coupling into account. We consider a single isolated AK-peptide in a mostly helical conformation, while the solvent is represented by 2600 methanol or water molecules, simulated for a pressure of 1 bar and a temperature of 300 K. Over the course of the simulations minor reversible conformational changes at the termini are observed, which are found to only slightly affect the calculated spectral properties. Over the entire composition range, varying from pure water to the pure methanol solvent, a monotonous blue-shift of the IR amide I band of about 8 wavenumbers is observed. The shift is found to be caused by two counter-compensating effects: An intramolecular red-shift of about 1.2 wavenumbers, due to stronger intramolecular hydrogen-bonding in a methanol-rich environment. Dominating, however, is the intermolecular solvent-dependent blue-shift of about 10 wavenumbers, being attributed to the less effective hydrogen bond donor capabilities of methanol compared to water. The importance of solvent-contribution to the IR-shift, as well as the significantly different hydrogen formation capabilities of water and methanol make the amide I band sensitive to composition changes in the local environment close the peptide/solvent interface. This allows, in principle, an experimental determination of the composition of the solvent in close proximity to the peptide surface. For the AK-peptide case they observe at low methanol concentrations a significantly enhanced methanol concentration at the peptide/solvent-interface, supposedly promoted by the partially hydrophobic

  2. Absolute Rovibrational Intensities, Self-Broadening and Self-Shift Coefficients for the X(sup 1) Sigma(+) V=3 (left arrow) V=0 Band (C-12)(O-16)

    NASA Technical Reports Server (NTRS)

    Chackerian, Charles, Jr.; Freedman, R.; Giver, L. P.; Brown, L. R.

    2001-01-01

    The rotationless transition moment squared for the x(sup 1) sigma (sup +) v=3 (left arrow) v=0 band of CO is measured to be the absolute value of R (sub 3-0) squared = 1.7127(25)x 10(exp -7) Debye squared. This value is about 8.6 percent smaller than the value assumed for HITRAN 2000. The Herman-Wallis intensity factor of this band is F=1+0.01168(11)m+0.0001065(79)m squared. The determination of self-broadening coefficients is improved with the inclusion of line narrowing; self-shifts are also reported.

  3. Low-Absorption Liquid Crystals for Infrared Beam Steering

    DTIC Science & Technology

    2013-10-22

    clearing point of 51.5 "C and its melting point is lower than -10 °C due to super-cooling effect . We also measured its transmission spectrum in the...thickness (or effective optical path length) increases, then the absorption will increase exponentially, as Eq. (1) indicates. To improve transmittance... effective mass (m) as: (0 = -yjic/m. (3) As the effective mass increases the vibration frequency decreases, i.e., the absorption band shifts toward a

  4. Investigation of band gap effect on Raman shift of scheelite PbWO4 studied by Raman spectrometry and first-principles calculations

    NASA Astrophysics Data System (ADS)

    Suda, Jun

    2017-04-01

    The Raman frequency shifts of the Bg (58 cm-1) and Ag (906 cm-1) in the PbWO4 were measured in the temperature range from 4 K to 500 K. We found that the frequency shift of Ag (906 cm-1) shows interesting characteristic of positive change with increasing temperature. The temperature dependence of the Raman shift of these modes was analyzed using both the first-principles calculations and lattice perturbative approach. We found that the quartic anharmonic term of the first-order perturbation, as well as the second order one, and thermal expansion contribute to the temperature dependence of the frequency shift of Ag (906 cm-1).

  5. Modeling of collision-induced infrared absorption spectra of H2 pairs in the first overtone band at temperatures from 20 to 500 K

    NASA Technical Reports Server (NTRS)

    Zheng, Chunguang; Borysow, Aleksandra

    1995-01-01

    A simple formalism is presented that permits quick computations of the low-resolution, rotovibrational collision-induced absorption (RV CIA) spectra of H2 pairs in the first overtone band of hydrogen, at temperatures from 20 to 500 K. These spectra account for the free-free transitions. The sharp dimer features, originating from the bound-free, free-bound, and bound-bound transitions are ignored, though their integrated intensities are properly accounted for. The method employs spectral model line- shapes with parameters computed from the three lowest spectral moments. The moments are obtained from first principles expressed as analytical functions of temperature. Except for the sharp dimer features, which are absent in this model, the computed spectra reproduce closely the results of exact quantum mechanical lineshape computations. Comparisons of the computed spectra with existing experimental data also show good agreement. The work interest for the modeling of the atmospheres of the outer planets in the near-infrared region of the spectrum. The user-friendly Fortran program developed here is available on request from the authors.

  6. Ti3C2 MXenes with Modified Surface for High-Performance Electromagnetic Absorption and Shielding in the X-Band.

    PubMed

    Han, Meikang; Yin, Xiaowei; Wu, Heng; Hou, Zexin; Song, Changqing; Li, Xinliang; Zhang, Litong; Cheng, Laifei

    2016-08-17

    Electromagnetic (EM) absorbing and shielding composites with tunable absorbing behaviors based on Ti3C2 MXenes are fabricated via HF etching and annealing treatment. Localized sandwich structure without sacrificing the original layered morphology is realized, which is responsible for the enhancement of EM absorbing capability in the X-band. The composite with 50 wt % annealed MXenes exhibits a minimum reflection loss of -48.4 dB at 11.6 GHz, because of the formation of TiO2 nanocrystals and amorphous carbon. Moreover, superior shielding effectiveness with high absorption effectiveness is achieved. The total and absorbing shielding effectiveness of Ti3C2 MXenes in a wax matrix with a thickness of only 1 mm reach values of 76.1 and 67.3 dB, while those of annealed Ti3C2 MXenes/wax composites are 32 and 24.2 dB, respectively. Considering the promising performance of Ti3C2 MXenes with the modified surface, this work is expected to open the door for the expanded applications of MXenes family in EM absorbing and shielding fields.

  7. Temperature dependence of the intensity of the vibration-rotational absorption band ν2 of H2O trapped in an argon matrix

    NASA Astrophysics Data System (ADS)

    Pitsevich, G.; Doroshenko, I.; Malevich, A..; Shalamberidze, E.; Sapeshko, V.; Pogorelov, V.; Pettersson, L. G. M.

    2017-02-01

    Using two sets of effective rotational constants for the ground (000) and the excited bending (010) vibrational states the calculation of frequencies and intensities of vibration-rotational transitions for J″ = 0 - 2; and J‧ = 0 - 3; was carried out in frame of the model of a rigid asymmetric top for temperatures from 0 to 40 K. The calculation of the intensities of vibration-rotational absorption bands of H2O in an Ar matrix was carried out both for thermodynamic equilibrium and for the case of non-equilibrium population of para- and ortho-states. For the analysis of possible interaction of vibration-rotational and translational motions of a water molecule in an Ar matrix by 3D Schrödinger equation solving using discrete variable representation (DVR) method, calculations of translational frequencies of H2O in a cage formed after one argon atom deleting were carried out. The results of theoretical calculations were compared to experimental data taken from literature.

  8. Effect of polarization orientation angle shift on X-band TDM SAR COSSC product of TerraSAR-X and TanDEM-X

    NASA Astrophysics Data System (ADS)

    Gupta, Asmita; Kumar, Shashi; Pandey, Uttara

    2016-05-01

    Polarization orientation angle (POA) shift in the backscattered SAR wave induced, due to irregularity of the target surface. Polarimetric signatures of the backscatter SAR wave gets affected by the POA shift, causes error in the decomposition modelling as shift in POA makes coherency matrix asymmetric. POA shift compensation is very necessary to avoid misinterpretation of decomposition modelling results. POA shift effect has been observed using coherency matrix and decomposition model results. This study is conducted over Dudhwa National Park in the state of Uttar Pradesh, using high resolution, TDM SAR COSSC Product of TerraSAR-X and TanDEM-X in Bistatic mode. Present study mainly focused on the comparative analysis of resultant scattering component of decomposition model before and after POA shift compensation. Shift in POA is investigated using circular polarization technique. Yamaguchi four component decomposition model is used to express total backscatter information in terms of volume, double bounce, surface and helix scattering. Volume scattering is overestimated however double bounce and surface scattering is under estimated in decomposition model due to POA shift present in the backscatter SAR wave. Different scattering mechanisms resulted after POA compensation were analyzed using 100 random points taken from forest structure. The results obtained by TerraSAR-X and TanDEM-X shows an overall increase in double bounce scattering and decrease in volume scattering component after POA shift compensation. It is observed that there is negligible effect of POA shift on surface scattering. POA shift compensation necessarily required to improve the accuracy of decomposition models used in the forest parameter retrieval applications.

  9. Absorption diagnostics of quantum size effect on the excited states of SbI3 clusters in FAU zeolite

    NASA Astrophysics Data System (ADS)

    Virko, Sergij V.; Motsnyi, Fedir V.; Telbiz, German M.

    1998-04-01

    We report the absorption spectra (at 10 K) for SbI3 clusters with molecular numbers 1/2, 1 and 2 which were created in FAU-zeolite cages. At 2.0 - 3.7 eV there appear bands whose energies strongly depends of the loading densities of SbI3 molecules. These energies are remarkable blue shifted compared with the one of the bulk exciton (2.615 eV). This shift is interpreted in terms of the quantum size effect. The observed blue-shift of absorption bands coincides with one calculated in mh/me>>1 approximation (typical for MI3 layered crystals).

  10. Electronic structure of an [FeFe] hydrogenase model complex in solution revealed by X-ray absorption spectroscopy using narrow-band emission detection.

    PubMed

    Leidel, Nils; Chernev, Petko; Havelius, Kajsa G V; Schwartz, Lennart; Ott, Sascha; Haumann, Michael

    2012-08-29

    High-resolution X-ray absorption spectroscopy with narrow-band X-ray emission detection, supported by density functional theory calculations (XAES-DFT), was used to study a model complex, ([Fe(2)(μ-adt)(CO)(4)(PMe(3))(2)] (1, adt = S-CH(2)-(NCH(2)Ph)-CH(2)-S), of the [FeFe] hydrogenase active site. For 1 in powder material (1(powder)), in MeCN solution (1'), and in its three protonated states (1H, 1Hy, 1HHy; H denotes protonation at the adt-N and Hy protonation of the Fe-Fe bond to form a bridging metal hydride), relations between the molecular structures and the electronic configurations were determined. EXAFS analysis and DFT geometry optimization suggested prevailing rotational isomers in MeCN, which were similar to the crystal structure or exhibited rotation of the (CO) ligands at Fe1 (1(CO), 1Hy(CO)) and in addition of the phenyl ring (1H(CO,Ph), 1HHy(CO,Ph)), leading to an elongated solvent-exposed Fe-Fe bond. Isomer formation, adt-N protonation, and hydride binding caused spectral changes of core-to-valence (pre-edge of the Fe K-shell absorption) and of valence-to-core (Kß(2,5) emission) electronic transitions, and of Kα RIXS data, which were quantitatively reproduced by DFT. The study reveals (1) the composition of molecular orbitals, for example, with dominant Fe-d character, showing variations in symmetry and apparent oxidation state at the two Fe ions and a drop in MO energies by ~1 eV upon each protonation step, (2) the HOMO-LUMO energy gaps, of ~2.3 eV for 1(powder) and ~2.0 eV for 1', and (3) the splitting between iron d(z(2)) and d(x(2)-y(2)) levels of ~0.5 eV for the nonhydride and ~0.9 eV for the hydride states. Good correlations of reduction potentials to LUMO energies and oxidation potentials to HOMO energies were obtained. Two routes of facilitated bridging hydride binding thereby are suggested, involving ligand rotation at Fe1 for 1Hy(CO) or adt-N protonation for 1HHy(CO,Ph). XAES-DFT thus enables verification of the effects of ligand

  11. Absorption Bands at 4300 and 6000-8000Å as Signs of Silicate and Organic Matter Separation and Formation of Hydrated Silicates in KBOs and Similar Bodies

    NASA Astrophysics Data System (ADS)

    Busarev, V. V.; Dorofeeva, V. A.; Makalkin, A. B.

    2004-12-01

    Recent spectral observations of some Kuiper Belt Objects (KBOs) (Boehnhardt et al.: 2002, Proc. of ACM 2002, 47-50; Fornasier S. et al., 2004, Astron. Astrophys. 421, 353-363) discovered characteristic absorption bands at 4300 and 6000-8000Å in reflectance spectra of the bodies. Spectral positions and other parameters of the features are similar to those found in reflectance spectra of terrestrial phyllosilicates (e. g., Clark et al., 1990, J. Geophys. Res. 95, 12653-12680; Busarev et al., 2004, The new ROSETTA targets (L. Colangeli et al., eds.), 79-83), CI- and CM-carbonaceous chondrites (e. g., Busarev and Taran, 2002, Proc. of ACM 2002, 933-936), primitive C-, P-, D-, F- and G-class asteroids (Vilas and Gaffey, 1989, Science 246, 790-792) and hydrated M-, S- and E-class asteroids (Busarev and Taran, 2002, Proc. of ACM 2002, 933-936). Hence, these absorption bands may be considered as universal indicators of hydrated silicates on celestial solid bodies including KBOs. However, before phyllosilicates were formed, an aqueous media should spring up and exist a considerable time in the bodies. One more important factor for the spectral features of hydrated silicates to be observed, it is probably an aqueous separation of silicate and darkening CHON (PAH plus more light organic compounds) components in the bodies. To check the assumptions we have performed some calculations (Busarev et al., 2003, Earth, Moon, and Planets 92, 345-357) applicable to KBOs and analogous silicate-icy bodies existed for the first time in the formation zones of neighbouring giant planets. According to the calculations, the decay of the short-lived 26Al at the early stage of the bodies' evolution and their mutual collisions (at velocities >1.5 km s-1) at the subsequent stage were probably the main sources of heating sufficient for melting water ice in their interiors. Because of these processes, an internal ocean of liquid water covered with ˜10-km crust of dirty ice could originate in

  12. Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials.

    PubMed

    Harb, Moussab; Masih, Dilshad; Takanabe, Kazuhiro

    2014-09-14

    We present a joint theoretical and experimental investigation of the optoelectronic properties of CuVO3, CuNbO3 and Cu5Ta11O30 materials for potential photocatalytic and solar cell applications. In addition to the experimental results obtained by powder X-ray diffraction and UV-Vis spectroscopy of the materials synthesized under flowing N2 gas at atmospheric pressure via solid-state reactions, the electronic structure and the UV-Vis optical absorption coefficient of these compounds are predicted with high accuracy using advanced first-principles quantum methods based on DFT (including the perturbation theory approach DFPT) within the screened coulomb hybrid HSE06 exchange-correlation formalism. The calculated density of states are found to be in agreement with the UV-Vis diffuse reflectance spectra, predicting a small indirect band gap of 1.4 eV for CuVO3, a direct band gap of 2.6 eV for CuNbO3, and an indirect (direct) band gap of 2.1 (2.6) eV for Cu5Ta11O30. It is confirmed that the Cu(I)-based multi-metal oxides possess a strong contribution of filled Cu(I) states in the valence band and of empty d(0) metal states in the conduction band. Interestingly, CuVO3 with its predicted small indirect band gap of 1.4 eV shows the highest absorption coefficient in the visible range with a broad absorption edge extending to 886 nm. This novel result offers a great opportunity for this material to be an excellent candidate for solar cell applications.

  13. First measurements of nitrous oxide self-broadening and self-shift coefficients in the 0002-0000 band at 2.26 μm using high resolution Fourier transform spectroscopy

    NASA Astrophysics Data System (ADS)

    Werwein, Viktor; Brunzendorf, Jens; Serdyukov, Anton; Werhahn, Olav; Ebert, Volker

    2016-05-01

    Nitrous oxide (N2O) is one of the most important greenhouse gases in the terrestrial atmosphere and is routinely measured with ground-based FTIR networks like the Total Carbon Column Observing Network (TCCON). A spectral window for the TCCON retrievals is the 14N216O 0002-0000-band region from 4375 to 4445 cm-1 (2.250-2.285 μm). In our study, we present the first high-resolution Fourier transform spectrometer measurements of self-broadening and self-shift coefficients in the range of 53-1019 hPa for the lines R0e-R40e of this band. The line parameters were determined at 296 K using metrologically validated temperature, and pressure values, which were traced back to the SI-units. The averaged estimated relative uncertainties for the coverage factor of k = 2 (two times the standard deviation) are 0.3% and 9.5% with a standard deviation of 0.1% and 5.3% for the self-broadening and the self-shift coefficients, respectively. Vacuum line positions, determined for the first time by taking the self-shift coefficients into account are also reported with an estimated averaged relative uncertainty of 1.1 ∗ 10-8 for k = 2 and a standard deviation of 3 ∗ 10-9. A well-defined uncertainty assessment for the measured line parameters is given.

  14. EL2 deep level defects and above-band gap two-photon absorption in high gain lateral semi-insulating GaAs photoconductive switch

    NASA Astrophysics Data System (ADS)

    Shi, Wei; Wang, Wei; Niu, Hongjian; Zhang, Xianbin; Ji, Weili

    2005-01-01

    Experiments of a lateral semi-insulating GaAs photoconductive switch, both linear and nonlinear mode of the switch were observed when the switch was triggered by 1064 nm laser pulses, with energy of 1.9 mJ and the pulse width of 60 ns, and operated at biased electric field of 4.37 kV/cm. It"s wavelength is longer than 876nm, but the experiments indicate that the semi-insulating GaAs photoconductive switches can absorb 1064 nm laser obviously, which is out of the absorption range of the GaAs material. It is not possible to explain this behavior by using intrinsic absorption mechanism. We think that there are two mostly kinds of absorption mechanisms play a key part in absorption process, they are the two-steps-single-photon absorption that based on the EL2 energy level and two-photon absorption.

  15. Comparison of Trajectory Models in Calculations of N2-broadened Half-widths and N2-induced Line Shifts for the Rotational Band of H2O-16 and Comparison with Measurements

    NASA Technical Reports Server (NTRS)

    Lamouroux, J.; Gamache, R. R.; Laraia, A. L.; Ma, Q.; Tipping, R. H.

    2012-01-01

    In this work, Complex Robert-Bonamy calculations of half-widths and line shifts were done for N2-broadening of water for 1639 transitions in the rotational band using two models for the trajectories. The first is a model correct to second order in time, the Robert-Bonamy parabolic approximation. The second is the solution of Hamilton's equations. Both models use the isotropic part of the atom-atom potential to determine the trajectories. The present calculations used an intermolecular potential expanded to 20th order to assure the convergence of the half-widths and line shifts. The aim of the study is to assess if the difference in the half-widths and line shifts determined from the two trajectory models is greater than the accuracy requirements of the spectroscopic and remote sensing communities. The results of the calculations are compared with measurements of the half-widths and line shifts. It is shown that the effects of the trajectory model greatly exceed the needs of current remote sensing measurements and that line shape parameters calculated using trajectories determined by solving Hamilton's equations agree better with measurement.

  16. Negligible shift of 3Ag- potential in longer-chain carotenoids as revealed by a single persistent peak of 3Ag-→1Ag- stimulated emission followed by 3Ag-←1Ag- transient-absorption

    NASA Astrophysics Data System (ADS)

    Li, Chunyong; Miki, Takeshi; Kakitani, Yoshinori; Koyama, Yasushi; Nagae, Hiroyoshi

    2007-12-01

    Upon excitation of lycopene, anhydrorhodovibrin or spirilloxanthin to the 1Bu+(0) state, stimulated emission followed by transient-absorption was observed as a single peak with the 3Ag-(0) energy that had been determined by measurement of resonance-Raman excitation profiles. This observation was explained in terms of negligible shift of the 3Ag- potential, in reference to the 1Ag- potential, where only the 3Ag-(υ)→1Ag-(υ) emission and the 3Ag-(υ)←1Ag-(υ) absorption become allowed during the vibrational relaxation of υ = 2 → 1 → 0, starting from the 3Ag-(2) level generated by diabatic internal conversion from the 1Bu+(0) level, in anhydrorhodovibrin, for example.

  17. Experimental and theoretical study of absorption spectrum of the (CH3)2CO···HF complex. Influence of anharmonic interactions on the frequency and intensity of the C=O and H-F stretching bands.

    PubMed

    Bulychev, V P; Svishcheva, E A; Tokhadze, K G

    2014-01-03

    IR absorption spectra of mixtures (CH3)2CO/HF and free (CH3)2CO molecules are recorded in the region of 4000-900 cm(-1) with a Bruker IFS-125 HR vacuum Fourier spectrometer at room temperature with a resolution up to 0.02 cm(-1). Spectral characteristics of the 2ν(C=O) overtone band of free acetone are reliably measured. The ν1(HF) and ν(C=O) absorption bands of the (CH3)2CO···HF complex are obtained by subtracting the absorption bands of free HF and acetone and absorption lines of atmospheric water from the experimental spectrum of mixtures. The experimental data are compared with theoretical results obtained from variational solutions of 1D-4D vibrational Schrödinger equations. The anharmonic potential energy and dipole moment surfaces used in the calculations were computed in the MP2/6-311++G(2d,2p) approximation with corrections for the basis set superposition error. Comparison of the data derived from solutions for different combinations of vibrational degrees of freedom shows that taking the inter-mode anharmonic interactions into account has different effects on the transition frequencies and intensities. Particular attention has been given to elucidation of the influence of anharmonic coupling of the H-F and C=O stretches with the low-frequency intermolecular modes on their frequencies and intensities and the strength of resonance between the fundamental H-F and the first overtone C=O transitions.

  18. The Oxygen a Band

    NASA Astrophysics Data System (ADS)

    Benner, D. Chris; Devi, V. Malathy; Hoo, Jiajun; Hodges, Joseph; Long, David A.; Sung, Keeyoon; Drouin, Brian; Okumura, Mitchio; Bui, Thinh Quoc; Rupasinghe, Priyanka

    2014-06-01

    The oxygen A band is used for numerous atmospheric experiments, but spectral line parameters that sufficiently describe the spectrum to the level required by OCO2 and other high precision/accuracy experiments are lacking. Fourier transform spectra from the Jet Propulsion Laboratory and cavity ring down spectra from the National Institute of Standards and Technology were fitted simultaneously using the William and Mary multispectrum nonlinear least squares fitting technique into a single solution including the entire band. In addition, photoacoustic spectra already available from the California Institute of Technology will be added to the solution. The three types of spectrometers are complementary allowing the strengths of each to fill in the weaknesses of the others. With this technique line positions, intensities, widths, shifts, line mixing, Dicke narrowing, temperature dependences and collision induced absorption have been obtained in a single physically consistent fit. D. Chris Benner, C. P. Rinsland, V. M. Devi, M. A. H. Smith, and D. Atkins, JQSRT 1995;53:705-21. Part of the research described in this paper was performed at The College of William and Mary, the, Jet Propulsion Laboratory, California Institute of Technology, under contracts and cooperative agreements with the National Aeronautics and Space Administration and the Jet Propulsion Laboratory. Support for the National Institute of Standards and Technology was provided by the NIST Greenhouse Gas Measurements and Climate Research Program and a NIST Innovations in Measurement Science (IMS) award.

  19. Solvent dependence of two-photon absorption spectra of the enhanced green fluorescent protein (eGFP) chromophore

    NASA Astrophysics Data System (ADS)

    Hosoi, Haruko; Tayama, Ryo; Takeuchi, Satoshi; Tahara, Tahei

    2015-06-01

    Two-photon absorption spectra of 4‧-hydroxybenzylidene-2,3-dimethylimidazolinone, a model chromophore of enhanced green fluorescent protein (eGFP), were measured in various solvents. The two-photon absorption band of its anionic form is markedly blue-shifted from the corresponding one-photon absorption band in all solvents. Moreover, the magnitude of the blue shift varies largely depending on the solvent, which does not accord with the assignment of the two-photon absorption band to the transitions to the vibrationally excited S1 state. Our finding is readily rationalized by considering overlapping contributions of the S1 ← S0 and S2 ← S0 transitions, suggesting the involvement of the S2 state also in two-photon fluorescence of eGFP.

  20. Atomic Resolution Mapping of the Excited-State Electronic Structure of Cu2O with Time-Resolved X-Ray Absorption Spectroscopy

    SciTech Connect

    Hillyard, Patrick B.; Kuchibhatla, Satyanarayana V N T; Glover, T. E.; Hertlein, M. P.; Huse, N.; Nachimuthu, Ponnusamy; Saraf, Laxmikant V.; Thevuthasan, Suntharampillai; Gaffney, Kelly J.

    2009-09-29

    We have used time-resolved soft x-ray spectroscopy to investigate the electronic structure of optically excited cuprous oxide at the O K-edge and the Cu L3-edge. The 400 nm optical excitation shifts the Cu and O absorptions to lower energy, but does not change the integrated x-ray absorption significantly for either edge. The constant integrated x-ray absorption cross-section indicates that that the conduction band and valence band edges have very similar Cu 3d and O 2p orbital contributions. The 2.1 eV optical band gap of Cu2O significantly exceeds the one eV shift in the Cu L3- and O K-edges absorption edges induced by optical excitation, demonstrating the importance of core-hole excitonic effects and valence electron screening in the x-ray absorption process.

  1. Atomic resolution mapping of the excited-state electronic structure of Cu2O with time-resolved x-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Hillyard, P. W.; Kuchibhatla, S. V. N. T.; Glover, T. E.; Hertlein, M. P.; Huse, N.; Nachimuthu, P.; Saraf, L. V.; Thevuthasan, S.; Gaffney, K. J.

    2009-09-01

    We have used time-resolved soft x-ray spectroscopy to investigate the electronic structure of optically excited cuprous oxide at the OK edge and the CuL3 edge. The 400 nm optical excitation shifts the Cu and O absorptions to lower energy, but does not change the integrated x-ray absorption significantly for either edge. The constant integrated x-ray absorption cross-section indicates that the conduction-band and valence-band edges have very similar Cu3d and O2p orbital contributions. The 2.1 eV optical band gap of Cu2O significantly exceeds the one eV shift in the CuL3 - and OK -edges absorption edges induced by optical excitation, demonstrating the importance of core-hole excitonic effects and valence electron screening in the x-ray absorption process.

  2. Atomic resolution mapping of the excited-state electronic structure of Cu2O with time-resolved x-ray absorption spectroscopy

    SciTech Connect

    Hillyard, P. W.; Kuchibhatla, S. V. N. T.; Glover, T. E.; Hertlein, M. P.; Huse, Nils; Nachimuthu, P.; Saraf, L. V.; Thevuthasan, S.; Gaffney, K. J.

    2010-05-02

    We have used time-resolved soft x-ray spectroscopy to investigate the electronic structure of optically excited cuprous oxide at the O K-edge and the Cu L3-edge. The 400 nm optical excitation shifts the Cu and O absorptions to lower energy, but does not change the integrated x-ray absorption significantly for either edge. The constant integrated x-ray absorption cross-section indicates that the conduction-band and valence-band edges have very similar Cu 3d and O 2p orbital contributions. The 2.1 eV optical band gap of Cu2O significantly exceeds the one eV shift in the Cu L3- and O K-edges absorption edges induced by optical excitation, demonstrating the importance of core-hole excitonic effects and valence electron screening in the x-ray absorption process.

  3. Single Brillouin frequency shifted S-band multi-wavelength Brillouin-Raman fiber laser utilizing fiber Bragg grating and Raman amplifier in ring cavity

    NASA Astrophysics Data System (ADS)

    Reshak, A. H.; Hambali, N. A. M. Ahmad; Shahimin, M. M.; Wahid, M. H. A.; Anwar, Nur Elina; Alahmed, Zeyad A.; Chyský, J.

    2016-10-01

    This paper is focusing on simulation and analyzing of S-band multi-wavelength Brillouin-Raman fiber laser performance utilizing fiber Bragg grating and Raman amplifier in ring cavity. Raman amplifier-average power model is employed for signal amplification. This laser system is operates in S-band wavelength region due to vast demanding on transmitting the information. Multi-wavelength fiber lasers based on hybrid Brillouin-Raman gain configuration supported by Raman scattering effect have attracted significant research interest due to its ability to produced multi-wavelength signals from a single light source. In multi-wavelength Brillouin-Raman fiber, single mode fiber is utilized as the nonlinear gain medium. From output results, 90% output coupling ratio has ability to provide the maximum average output power of 43 dBm at Brillouin pump power of 20 dBm and Raman pump power of 14 dBm. Furthermore, multi-wavelength Brillouin-Raman fiber laser utilizing fiber Bragg grating and Raman amplifier is capable of generated 7 Brillouin Stokes signals at 1480 nm, 1510 nm and 1530 nm.

  4. A new highly selective, ratiometric and colorimetric fluorescence sensor for Cu(2+) with a remarkable red shift in absorption and emission spectra based on internal charge transfer.

    PubMed

    Goswami, Shyamaprosad; Sen, Debabrata; Das, Nirmal Kumar

    2010-02-19

    A new 1,8-diaminonaphthalene based ratiometric and highly selective colorimetric "off-on" type of fluorescent probe, receptor 2 has been designed and synthesized that senses only Cu(2+) among the other heavy and transition metal ions examined on the basis of internal charge transfer (ICT). The visual sensitivity of the receptor 2 is remarkable, showing dual color changes from colorless (receptor) to purple followed by blue and a large red shift in emission upon Cu(2+) complexation.

  5. Origin of the Red Shift for the Lowest Singlet π → π* Charge-Transfer Absorption of p-Nitroaniline in Supercritical CO2.

    PubMed

    Hidalgo, Marcelo; Rivelino, Roberto; Canuto, Sylvio

    2014-04-08

    The origin of the unusual solvatochromic shift of p-nitroaniline (PNA) in supercritical carbon dioxide (SCCO2) is theoretically investigated on the basis of experimental data. Ab initio quantum chemistry calculations have been employed to unveil the interaction of CO2 with this archetypical molecule. It is demonstrated that the nitro group of PNA works as an electron-donating site binding to the electron-deficient carbon atom of CO2, most probably via a Lewis acid-base interaction. Moreover, a cooperative C-H···O hydrogen bond seems to act as an additional stabilizing source during the solvation process of PNA in SCCO2. To support the influence of solute-solvent specific interactions on the lowest singlet π → π* charge-transfer excitation, we perform a sequential Monte Carlo time-dependent density functional theory simulation to evaluate the excited states of PNA in SCCO2 (T = 315 K, ρ = 0.81 g/cm(3)). A critical assessment of this simulation, compared to calculations carried out within the polarized continuum model, gives strong evidence that our proposed complexes are important in describing the solvatochromic shift of PNA in SCCO2. The calculated red shift from the gas phase accounts for 66% to 80% (depending on the degree of complexation) of the experimental data. Finally, these results also alleviate possible failures commonly attributed to long-range corrected functionals in reproducing the solvatochromism of PNA.

  6. Discrete shifts within the theta band between the frontal and parietal regions of the right hemisphere and the experiences of a sensed presence.

    PubMed

    Booth, John Nicholas; Persinger, Michael A

    2009-01-01

    The attribution of personal cognition to another consciousness or sentient being is strongly correlated with altered perfusion within the frontoparietal or frontotemporal regions. The authors applied weak complex magnetic fields that produce an increased incidence of these experiences in healthy volunteers. Quantitative monopolar electroencephalographic (QEEG) measurements for each of the four lobes of the two hemispheres found that intensity of the sensed presence was significantly correlated with increased power within only the theta range over the right parietal and frontal lobes. Successive 1 Hz incremental analyses indicated specific power increases for 4 Hz-5 Hz and 7 Hz-8 Hz bands over the right parietal and frontal lobes, respectively. These results are consistent with those of other measures for both schizophrenia patients and healthy volunteers; changes in activity within these regions are associated with attribution of one's thoughts and actions to another.

  7. Optimization of a Raman shifted dye laser system for DIAL applications

    NASA Technical Reports Server (NTRS)

    Singh, Upendra N.; Chu, Zhiping; Mahon, Rita; Wilkerson, Thomas D.

    1990-01-01

    An efficient Raman shifted dye laser system that generates tunable radiation at 765 and 940 nm with a bandwidth of 0.03/cm is described. Operating a Raman cell at hydrogen pressure below 14 atm, optimum first Stokes energy conversions of 45 percent and of 37 percent at 765 and 940 nm, respectively, were recorded. Optical depth measurements made at the centers of twenty-five absorption lines in the P branch of the oxygen A band imply a high spectral purity for both the laser and the Raman shifted radiation, and thus indicate the feasibility of using the stimulated Raman scattered radiation for differential absorption lidar (DIAL) measurements.

  8. The two-photon absorptivity of rotational transitions in the A2 Sigma hyperon + (v prime = O) - X-2 pion (v prime prime = O) gamma band of nitric oxide

    NASA Technical Reports Server (NTRS)

    Gross, K. P.; Mckenzie, R. L.

    1982-01-01

    A predominantly single-mode pulsed dye laser system giving a well characterized spatial and temporal output suitable for absolute two-photon absorptivity measurements was used to study the NO gamma(0,0) S11 + R21 (J double prime = 7-1/2) transition. Using a calibrated induced-fluorescence technique, an absorptivity parameter of 2.8 + or - 1.4 x 10 to the minus 51st power cm to the 6th power was obtained. Relative strengths of other rotational transitions in the gamma(0,0) band were also measured and shown to compare well with predicted values in all cases except the O12 (J double prime = 10-1/2) transition.

  9. Absorption of surface acoustic waves by topological insulator thin films

    SciTech Connect

    Li, L. L.; Xu, W.

    2014-08-11

    We present a theoretical study on the absorption of the surface acoustic waves (SAWs) by Dirac electrons in topological insulator (TI) thin films (TITFs). We find that due to momentum and energy conservation laws, the absorption of the SAWs in TITFs can only be achieved via intra-band electronic transitions. The strong absorption can be observed up to sub-terahertz frequencies. With increasing temperature, the absorption intensity increases significantly and the cut-off frequency is blue-shifted. More interestingly, we find that the absorption of the SAWs by the TITFs can be markedly enhanced by the tunable subgap in the Dirac energy spectrum of the TI surface states. Such a subgap is absent in conventional two-dimensional electron gases (2DEGs) and in the gapless Dirac 2DEG such as graphene. This study is pertinent to the exploration of the acoustic properties of TIs and to potential application of TIs as tunable SAW devices working at hypersonic frequencies.

  10. Absorption of surface acoustic waves by topological insulator thin films

    NASA Astrophysics Data System (ADS)

    Li, L. L.; Xu, W.

    2014-08-01

    We present a theoretical study on the absorption of the surface acoustic waves (SAWs) by Dirac electrons in topological insulator (TI) thin films (TITFs). We find that due to momentum and energy conservation laws, the absorption of the SAWs in TITFs can only be achieved via intra-band electronic transitions. The strong absorption can be observed up to sub-terahertz frequencies. With increasing temperature, the absorption intensity increases significantly and the cut-off frequency is blue-shifted. More interestingly, we find that the absorption of the SAWs by the TITFs can be markedly enhanced by the tunable subgap in the Dirac energy spectrum of the TI surface states. Such a subgap is absent in conventional two-dimensional electron gases (2DEGs) and in the gapless Dirac 2DEG such as graphene. This study is pertinent to the exploration of the acoustic properties of TIs and to potential application of TIs as tunable SAW devices working at hypersonic frequencies.

  11. Many-body dynamics and energy relaxation times in a wide semiconductor quantum well as probed by nonlinear far-infrared absorption

    SciTech Connect

    Sherwin, M.S.; Craig, K.; Unterrainer, K.

    1995-12-31

    In quantum wells, absorption between the quantized subbands of the conduction band does not take place at the difference of the subband energies; the interactions of the electrons shift the intersubband absorption to higher frequency; this is called the depolarization shift. This shift can be thought of as a dynamic screening effect, and depends upon the difference in population between the subbands of interest. These are the first group of measurements of the dynamics of the depolarization shift, and they offer the possibility of both increased understanding of many-body interactions in real systems, and the possibility of novel quasi-optical devices operating in the far-infared (FIR).

  12. Indirect optical absorption and origin of the emission from β-FeSi2 nanoparticles: Bound exciton (0.809 eV) and band to acceptor impurity (0.795 eV) transitions

    NASA Astrophysics Data System (ADS)

    Lang, R.; Amaral, L.; Meneses, E. A.

    2010-05-01

    We investigated the optical absorption of the fundamental band edge and the origin of the emission from β-FeSi2 nanoparticles synthesized by ion-beam-induced epitaxial crystallization of Fe+ implanted SiO2/Si(100) followed by thermal annealing. From micro-Raman scattering and transmission electron microscopy measurements it was possible to attest the formation of strained β-FeSi2 nanoparticles and its structural quality. The optical absorption near the fundamental gap edge of β-FeSi2 nanoparticles evaluated by spectroscopic ellipsometry showed a step structure characteristic of an indirect fundamental gap material. Photoluminescence spectroscopy measurements at each synthesis stage revealed complex emissions in the 0.7-0.9 eV spectral region, with different intensities and morphologies strongly dependent on thermal treatment temperature. Spectral deconvolution into four transition lines at 0.795, 0.809, 0.851, and 0.873 eV was performed. We concluded that the emission at 0.795 eV may be related to a radiative direct transition from the direct conduction band to an acceptor level and that the emission at 0.809 eV derives from a recombination of an indirect bound exciton to this acceptor level of β-FeSi2. Emissions 0.851 and 0.873 eV were confirmed to be typical dislocation-related photoluminescence centers in Si. From the energy balance we determined the fundamental indirect and direct band gap energies to be 0.856 and 0.867 eV, respectively. An illustrative energy band diagram derived from a proposed model to explain the possible transition processes involved is presented.

  13. Optical absorption in semiconductor quantum dots coupling to dispersive phonons of infinite modes

    NASA Astrophysics Data System (ADS)

    Ding, Zhiwen; Wang, Qin; Zheng, Hang

    2012-10-01

    Optical absorption spectrum of semiconductor quantum dot is investigated by means of an analytical approach based on the Green's function for different forms of coupling strength in an unified method by using the standard model with valence and conduction band levels coupled to dispersive quantum phonons of infinite modes. The analytical expression of the optical absorption coefficient in semiconductor quantum dots is obtained and by this expression the line shape and the peak position of the absorption spectrum are procured. The relation between the properties of absorption spectrum and the forms of coupling strength is clarified, which can be referenced for choosing the proper form of the coupling strength or spectral density to control the features of absorption spectrum of quantum dot. The coupling and confinement induced energy shift and intensity decrease in the absorption spectrum are determined precisely for a wide range of parameters. The results show that the activation energy of the optical absorption is reduced by the effect of exciton-phonon coupling and photons with lower frequencies could also be absorbed in absorption process. With increase of the coupling constant, the line shape of optical absorption spectrum broadens and the peak position moves to lower photon energy with a rapid decrease in intensity at the same time. Both the coupling induced red shift and the confinement induced blue shift conduce to decrease in the intensity of absorption spectrum. Furthermore, this method may have application potential to other confined quantum systems.

  14. Electronic transitions and heterogeneity of the bacteriophytochrome Pr absorption band: An angle balanced polarization resolved femtosecond VIS pump-IR probe study.

    PubMed

    Linke, Martin; Yang, Yang; Zienicke, Benjamin; Hammam, Mostafa A S; von Haimberger, Theodore; Zacarias, Angelica; Inomata, Katsuhiko; Lamparter, Tilman; Heyne, Karsten

    2013-10-15

    Photoisomerization of biliverdin (BV) chromophore triggers the photoresponse in native Agp1 bacteriophytochrome. We discuss heterogeneity in phytochrome Pr form to account for the shape of the absorption profile. We investigated different regions of the absorption profile by angle balanced polarization resolved femtosecond VIS pump-IR probe spectroscopy. We studied the Pr form of Agp1 with its natural chromophore and with a sterically locked 18Et-BV (locked Agp1). We followed the dynamics and orientations of the carbonyl stretching vibrations of ring D and ring A in their ground and electronically excited states. Photoisomerization of ring D is reflected by strong signals of the ring D carbonyl vibration. In contrast, orientational data on ring A show no rotation of ring A upon photoexcitation. Orientational data allow excluding a ZZZasa geometry and corroborates a nontwisted ZZZssa geometry of the chromophore. We found no proof for heterogeneity but identified a new, to our knowledge, electronic transition in the absorption profile at 644 nm (S0→S2). Excitation of the S0→S2 transition will introduce a more complex photodynamics compared with S0→S1 transition. Our approach provides fundamental information on disentanglement of absorption profiles, identification of chromophore structures, and determination of molecular groups involved in the photoisomerization process of photoreceptors.

  15. 100 MeV O{sup 7+} irradiation induced red shift in the band gaps of 3 wt% 'Li' doped Nb{sub 2}O{sub 5} thin film

    SciTech Connect

    Kovendhan, M. Mohan, R.; Joseph, D. Paul; Manimuthu, P.; Venkateswaran, C.; Vijayarangamuthu, K.; Asokan, K.

    2014-04-24

    Nb{sub 2}O{sub 5}:Li (3 wt%) thin film of thickness 353 nm spray deposited onto ITO coated glass substrate at 350 °C is irradiated with 100 MeV O{sup 7+} ion at a fluence of 5×10{sup 12} ions/cm{sup 2}. X-ray diffraction shows that the pristine and irradiated films are polycrystalline with a tetragonal phase. Raman peaks suppressed upon irradiation imply large surface degradation which is also seen as a decrement in transparency in visible region to one half of the pristine film. Large red shift is observed in direct and indirect band gaps upon irradiation. Hall effect reveals slight increase in carrier concentration due to irradiation induced defects.

  16. Atmospheric absorption cell characterization

    NASA Astrophysics Data System (ADS)

    1982-06-01

    The measurement capability of the Avionics Laboratory IR Facility was used to evaluate an absorption cell that will be used to simulate atmospheric absorption over horizontal paths of 1 - 10 km in length. Band models were used to characterize the transmittance of carbon dioxide (CO2), nitrogen (N2), and nitrous oxide (N2O) in the cell. The measured transmittance was compared to the calculated values. Nitrous oxide is important in the 4 - 4.5 micron range in shaping the weak line absorption of carbon dioxide. The absorption cell is adequate for simulating atmospheric absorption over these paths.

  17. Determination of Kamlet-Taft solvent parameters pi* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole.

    PubMed

    Minami, Kimitaka; Mizuta, Masamichi; Suzuki, Muneyuki; Aizawa, Takafumi; Arai, Kunio

    2006-05-21

    Kamlet-Taft solvent parameters, pi*, of high pressure and supercritical water were determined from 16-420 degrees C based on solvatochromic measurements of 4-nitroanisole. For the measurements, an optical cell that could be used at high temperatures and pressures was developed with the specification of minimal dead space. The low dead space cell allowed us to measure the absorption spectra of 4-nitroanisole at high temperature conditions before appreciable decomposition occurred. The behavior of pi* in terms of water density (pi* = 1.77rho- 0.71) was found to be linear, except in the near critical region, in which deviations were observed that could be attributed to local density augmentation. Excess density, which was defined as the difference between local density and bulk density, showed a maximum near the critical density of water. The frequencies of UV-Vis spectra of 4-(dimethylamino)benzonitrile and N,N-dimethyl-4-nitroaniline were correlated with pi* based on a linear solvation energy relationship (LSER) theory. Local density augmentation around 4-nitroanisole and that around 4-(dimethylamino)benzonitrile were similar but the augmentation observed around N,N-dimethyl-4-nitroaniline was larger.

  18. On the state of the emitter of the 3.3 micron unidentified infrared band - Absorption spectroscopy of polycyclic aromatic hydrocarbon species

    NASA Technical Reports Server (NTRS)

    Flickinger, Gregory C.; Wdowiak, Thomas J.; Gomez, Percy L.

    1991-01-01

    Results of absorption measurements indicate that the PAH species responsible for the UIR (unidentified infrared) emission probably exist in a condensed form rather than as isolated molecules. It is shown that the peak absorption of the C-H stretch feature of vapor-phase PAHs occurs at a higher frequency than that of the condensed-phase PAHs and does not match the 3.289-micron interstellar feature. The vapor-phase experiments duplicate the phenomenon of the 3.3-micron profile simplification of PAH in KBr at elevated temperature. This confirms that the change of the profile with temperature is an intrinsic molecular effect, and is not a consequence of matrix (KBr) or condensed state interactions.

  19. Band engineering of amorphous silicon ruthenium thin film and its near-infrared absorption enhancement combined with nano-holes pattern on back surface of silicon substrate

    NASA Astrophysics Data System (ADS)

    Guo, Anran; Zhong, Hao; Li, Wei; Gu, Deen; Jiang, Xiangdong; Jiang, Yadong

    2016-10-01

    Silicon is widely used in semiconductor industry but has poor performance in near-infrared photoelectronic devices because of its bandgap limit. In this study, a narrow bandgap silicon rich semiconductor is achieved by introducing ruthenium (Ru) into amorphous silicon (a-Si) to form amorphous silicon ruthenium (a-Si1-xRux) thin films through co-sputtering. The increase of Ru concentration leads to an enhancement of light absorption and a narrower bandgap. Meanwhile, a specific light trapping technique is employed to realize high absorption of a-Si1-xRux thin film in a finite thickness to avoid unnecessary carrier recombination. A double-layer absorber comprising of a-Si1-xRux thin film and silicon random nano-holes layer is formed on the back surface of silicon substrates, and significantly improves near-infrared absorption while the leaky light intensity is less than 5%. This novel absorber, combining narrow bandgap thin film with light trapping structure, may have a potential application in near-infrared photoelectronic devices.

  20. Application of surface pressure measurements from O2-band differential absorption radar system in three-dimensional data assimilation on hurricane: Part I - An observing system simulation experiments study

    NASA Astrophysics Data System (ADS)

    Min, Qilong; Gong, Wei; Lin, Bing; Hu, Yongxiang

    2015-01-01

    Sea level pressure (SLP) is an important variable in regulating hurricane motion. However, SLP generally cannot be measured in open oceans due to limited buoys. Because of the potential availability of an O2-band differential absorption radar for sea surface barometry, we investigate the value of assimilating various patterns of SLP from such a system on hurricane prediction using the Weather Research and Forecasting (WRF) three-dimensional variational data assimilation system (3DVAR) based on Observing System Simulation Experiments (OSSEs). An important objective of this series of study is to explore the potential to use space and airborne sea surface air pressure measurements from an O2-band differential absorption radar currently under development for server weather including hurricane forecasts. The surface pressure patterns include an area of SLP, and a band of SLP either through the center or tangent to the hurricane position; the latter two distributions are similar to what could be obtained from the differential absorption radar system, which could be installed on spaceborne satellites and/or mounted on reconnaissance aircraft. In the banded pressure cases, we propose a vortex reconstruction technique based on surface pressure field. Assimilating observations from the reconstructed surface pressure leads to a better representation of initial SLP and vertical cross-section of wind, relative to the control where no data is assimilated and to the assimilation without vortex reconstruction. In eight of the nine OSSEs simulations on three hurricanes with three leading times of integration, which cover a wide range of initial minimum SLP from 951 to 1011 hPa, substantial improvements are found not only in the hurricane track and position, but also in the hurricane intensity, in terms of the SLP and maximum surface wind. The only case without significant improvement is resulted from the very weak initial condition (SLP 1011 hPa), which had no clear indication of

  1. Gas-phase energy of the S2←S0 transition and electrostatic properties of the S2 state of carotenoid peridinin via a solvatochromic shift and orientation broadening of the absorption spectrum.

    PubMed

    Pavlovich, Vladimir S

    2014-10-01

    The solvent effect on the position and the shape of the absorption spectrum of peridinin for 12 protic and aprotic solvents as well as the temperature effect for methanol were studied using a solvatochromic theory based on the Onsager sphere cavity model. (Experimental data have been provided by T. Polivka and V. Sundström.) Solvatochromic calculations combined with estimations of orientation broadening of the absorption spectrum by convolution allowed the conclusion that the orientation (dipole-dipole), induction and dispersion solute-solvent interactions reasonably describes the position of the 0-0 frequency. The orientation interactions led to the blue solvatochromic shift, separating them from the induced and dispersion interactions, which produce a red shift. The FWHM of Gaussian of inhomogeneous broadening originated from the fluctuations of orientation interactions was demonstrated to be high (945 cm(-1)) even for such a nonpolar solvent as hexane. The value of |Δμ|/cos φ of -18.7 D has been found (Δμ = μ2 - μg, φ is the angle between Δμ and μg). By assigning peridinin to the idealized C2v point group, the large change of dipole moment |Δμ| of 18.7 D under S2←S0 transition is obtained for peridinin in gas phase. Moreover, the S2-excited state dipole moment μ2 has the opposite orientation relative to that at the ground S0 state μg. The determined gas-phase 0-0 energy of the S2←S0 transition, 22 910 cm(-1) (2.84 eV) is employed to calculate the polarizability change between the S0 and S2 states of 376 Å(3). The finding for the effective Onsager radius is of 9.4 Å. Obtained results for electrostatic properties of the S2 state are compared with those known from Stark spectroscopy and quantum-mechanical calculations.

  2. Relation of molecular structure to Franck-Condon bands in the visible-light absorption spectra of symmetric cationic cyanine dyes.

    PubMed

    Lin, Katrina Tao Hua; Silzel, John W

    2015-05-05

    A Franck-Condon (FC) model is used to study the solution-phase absorbance spectra of a series of seven symmetric cyanine dyes having between 22 and 77 atoms. Electronic transition energies were obtained from routine visible-light absorbance and fluorescence emission spectra. Harmonic normal modes were computed using density functional theory (DFT) and a polarizable continuum solvent model (PCM), with frequencies corrected using measured mid-infrared spectra. The model predicts the relative energies of the two major vibronic bands to within 5% and 11%, respectively, and also reproduces structure-specific differences in vibronic band shapes. The bands themselves result from excitation of two distinct subsets of normal modes, one with frequencies between 150 and 625cm(-1), and the other between 850 and 1480cm(-1). Vibronic transitions excite symmetric in-plane bending of the polymethine chain, in-plane bends of the polymethine and aromatic C-H bonds, torsions and deformations of N-alkyl substituents, and in the case of the indocyanines, in-plane deformations of the indole rings. For two dyes, the model predicts vibronic coupling into symmetry-breaking torsions associated with trans-cis photoisomerization.

  3. Cirrus cloud optical and microphysical property retrievals from eMAS during SEAC4RS using bi-spectral reflectance measurements within the 1.88 µm water vapor absorption band

    NASA Astrophysics Data System (ADS)

    Meyer, Kerry; Platnick, Steven; Arnold, G. Thomas; Holz, Robert E.; Veglio, Paolo; Yorks, John; Wang, Chenxi

    2016-04-01

    Previous bi-spectral imager retrievals of cloud optical thickness (COT) and effective particle radius (CER) based on the Nakajima and King (1990) approach, such as those of the operational MODIS cloud optical property retrieval product (MOD06), have typically paired a non-absorbing visible or near-infrared wavelength, sensitive to COT, with an absorbing shortwave or mid-wave infrared wavelength sensitive to CER. However, in practice it is only necessary to select two spectral channels that exhibit a strong contrast in cloud particle absorption. Here it is shown, using eMAS observations obtained during NASA's SEAC4RS field campaign, that selecting two absorbing wavelength channels within the broader 1.88 µm water vapor absorption band, namely the 1.83 and 1.93 µm channels that have sufficient differences in ice crystal single scattering albedo, can yield COT and CER retrievals for thin to moderately thick single-layer cirrus that are reasonably consistent with other solar and IR imager-based and lidar-based retrievals. A distinct advantage of this channel selection for cirrus cloud retrievals is that the below-cloud water vapor absorption minimizes the surface contribution to measured cloudy top-of-atmosphere reflectance, in particular compared to the solar window channels used in heritage retrievals such as MOD06. This reduces retrieval uncertainty resulting from errors in the surface reflectance assumption and reduces the frequency of retrieval failures for thin cirrus clouds.

  4. Observational Evidence Linking Interstellar UV Absorption to PAH Molecules

    NASA Astrophysics Data System (ADS)

    Blasberger, Avi; Behar, Ehud; Perets, Hagai B.; Brosch, Noah; Tielens, Alexander G. G. M.

    2017-02-01

    The 2175 Å UV extinction feature was discovered in the mid-1960s, yet its physical origin remains poorly understood. One suggestion is absorption by polycyclic aromatic hydrocarbon (PAH) molecules, which is supported by theoretical molecular structure computations and by laboratory experiments. PAHs are positively detected by their 3.3, 6.2, 7.7, 8.6, 11.3, and 12.7 μm IR emission bands, which are specified by their modes of vibration. A definitive empirical link between the 2175 Å UV extinction and the IR PAH emission bands, however, is still missing. We present a new sample of hot stars that have both 2175 Å absorption and IR PAH emission. We find significant shifts of the central wavelength of the UV absorption feature, up to 2350 Å, but predominantly in stars that also have IR PAH emission. These UV shifts depend on stellar temperature in a fashion that is similar to the shifts of the 6.2 and 7.7 μm IR PAH bands, that is, the features are increasingly more redshifted as the stellar temperature decreases, but only below ∼15 kK. Above 15 kK both UV and IR features retain their nominal values. Moreover, we find a suggestive correlation between the UV and IR shifts. We hypothesize that these similar dependences of both the UV and IR features on stellar temperature hint at a common origin of the two in PAH molecules and may establish the missing link between the UV and IR observations. We further suggest that the shifts depend on molecular size, and that the critical temperature of ∼15 kK above which no shifts are observed is related to the onset of UV-driven hot-star winds and their associated shocks.

  5. Band gap effects of hexagonal boron nitride using oxygen plasma

    SciTech Connect

    Sevak Singh, Ram; Leong Chow, Wai; Yingjie Tay, Roland; Hon Tsang, Siu; Mallick, Govind; Tong Teo, Edwin Hang

    2014-04-21

    Tuning of band gap of hexagonal boron nitride (h-BN) has been a challenging problem due to its inherent chemical stability and inertness. In this work, we report the changes in band gaps in a few layers of chemical vapor deposition processed as-grown h-BN using a simple oxygen plasma treatment. Optical absorption spectra show a trend of band gap narrowing monotonically from 6 eV of pristine h-BN to 4.31 eV when exposed to oxygen plasma for 12 s. The narrowing of band gap causes the reduction in electrical resistance by ∼100 fold. The x-ray photoelectron spectroscopy results of plasma treated hexagonal boron nitride surface show the predominant doping of oxygen for the nitrogen vacancy. Energy sub-band formations inside the band gap of h-BN, due to the incorporation of oxygen dopants, cause a red shift in absorption edge corresponding to the band gap narrowing.

  6. Modeling of collision-induced infrared absorption spectra of H2-H2 pairs in the fundamental band at temperatures from 20 to 300 K. [Planetary atmospheres

    SciTech Connect

    Borysow, A. )

    1991-08-01

    The 20-300 K free-free rotovibrational collision-induced absorption (RV CIA) spectra of H2-H2 pairs are presently obtained by a numerical method which, in addition to closely matching known CIA spectra of H2-H2, can reproduce the results of the quantum-mechanical computations to within a few percent. Since the spectral lineshape parameters are derivable by these means from the lowest three quantum-mechanical spectral moments, these outer-planet atmosphere-pertinent model spectra may be computed on even small computers. 35 refs.

  7. Coloration and oxygen vacancies in wide band gap oxide semiconductors: Absorption at metallic nanoparticles induced by vacancy clustering—A case study on indium oxide

    SciTech Connect

    Albrecht, M. Schewski, R.; Irmscher, K.; Galazka, Z.; Markurt, T.; Naumann, M.; Schulz, T.; Uecker, R.; Fornari, R.; Meuret, S.; Kociak, M.

    2014-02-07

    In this paper, we show by optical and electron microscopy based investigations that vacancies in oxides may cluster and form metallic nanoparticles that induce coloration by extinction of visible light. Optical extinction in this case is caused by generation of localized surface plasmon resonances at metallic particles embedded in the dielectric matrix. Based on Mie's approach, we are able to fit the absorption due to indium nanoparticles in In{sub 2}O{sub 3} to our absorption measurements. The experimentally found particle distribution is in excellent agreement with the one obtained from fitting by Mie theory. Indium particles are formed by precipitation of oxygen vacancies. From basic thermodynamic consideration and assuming theoretically calculated activation energies for vacancy formation and migration, we find that the majority of oxygen vacancies form just below the melting point. Since they are ionized at this temperature they are Coulomb repulsive. Upon cooling, a high supersaturation of oxygen vacancies forms in the crystal that precipitates once the Fermi level crosses the transition energy level from the charged to the neutral charge state. From our considerations we find that the ionization energy of the oxygen vacancy must be higher than 200 meV.

  8. Resonance-Enhanced Raman Scattering of Ring-Involved Vibrational Modes in the (1)B(2u) Absorption Band of Benzene, Including the Kekule Vibrational Modes ν(9) and ν(10).

    PubMed

    Willitsford, Adam H; Chadwick, C Todd; Kurtz, Stewart; Philbrick, C Russell; Hallen, Hans

    2016-02-04

    Resonance Raman spectroscopy provides much stronger Raman signal levels than its off-resonant counterpart and adds selectivity by excitation tuning. Raman preresonance of benzene has been well studied. On-resonance studies, especially at phonon-allowed absorptions, have received less attention. In this case, we observe resonance of many of the vibration modes associated motion of the carbons in the ring while tuning over the (1)B2u absorption, including the related ν9 (CC stretch Herzberg notation, ν14 Wilson notation) and ν10 (CH-parallel bend Herzberg notation, ν15 Wilson notation) vibrational modes along with the ν2 (CC-stretch or ring-breathing Herzberg notation, ν1 Wilson notation) mode and multiples of the ν18 (CCC-parallel bend Herzberg notation, ν6 Wilson notation) vibrational mode. The ring-breathing mode is found to mix with the b2u modes creating higher frequency composites. Through the use of an optical parametric oscillator (OPO) to tune through the (1)B2u absorption band of liquid benzene, a stiffening (increase in energy) of the vibrational modes is observed as the excitation wavelength nears the (1)B2u absorption peak of the isolated molecule (vapor) phase. The strongest resonance amplitude observed is in the 2 × ν18 (e2g) mode, with nearly twice the intensity of the ring-breathing mode, ν2. Several overtones and combination modes, especially with ν2 (a1g), are also observed to resonate. Raman resonances on phonon-allowed excitations are narrow and permit the measurement of vibrations not Raman-active in the ground state.

  9. Microwave absorption properties of planar-anisotropy Ce2Fe17N3-δ powders/Silicone composite in X-band

    NASA Astrophysics Data System (ADS)

    Gu, Xisheng; Tan, Guoguo; Chen, Shuwen; Man, Qikui; Chang, Chuntao; Wang, Xinmin; Li, Run-Wei; Che, Shenglei; Jiang, Liqiang

    2017-02-01

    The soft-magnetic properties of planar-anisotropy Ce2Fe17N3-δ powders were reported, and reflection loss (RL) of the powders/Silicone composites with various volume concentrations have been studied in 0.1-18 GHz frequency range. It was found that the optimal RL of this composite absorber with a thickness of 1.72 mm is -60.5 dB at 9.97 GHz and the RL is less than -10 dB in the whole X-band (8-12 GHz). The bandwidth with RL exceeding -10 dB and -20 dB are 5.24 GHz and 1.32 GHz, respectively. Furthermore, all the optimal RL value of the composite with the thickness less than 2.13 mm can reach -20 dB in the range of 8-17 GHz, which indicates that the Ce2Fe17N3-δ/Silicone composite absorber will be a promising candidate in higher gigahertz frequency especially in X-band.

  10. Induced changes in refractive index, optical band gap, and absorption edge of polycarbonate-SiO2 thin films by Vis-IR lasers

    NASA Astrophysics Data System (ADS)

    Ehsani, Hassan; Akhoondi, Somaieh

    2016-09-01

    In this experimental work, we have studied induced changes in refractive index, extinction coefficient, and optical band-gap of Bisphenol-A-polycarbonate (BPA-PC) coated with a uniform and thin, anti-scratch SiO2 film irradiated by visible to near-infrared lasers at 532 nm (green),650 nm(red), and 980 nm (IR)wavelength lasers with different energy densities. Our lasers sources are indium-gallium-aluminum-phosphide, second harmonic of neodymium-YAG-solid state lasers and gallium-aluminum-arsenide-semiconductor laser. The energy densities of our sources have been changed by changing the spot size of incident laser. samples transmission spectra were monitored by carry500 spectrophotometer and induced changes in optical properties are evaluated by using, extrapolation of the transmission spectrum through Swanepoel method and computer application

  11. [Study on temperature dependence of ultraviolet absorption cross sections of nitric oxide at high temperatures].

    PubMed

    Zhou, Jie; Zhang, Shi-Liang; Chen, Xiao-Hu

    2007-07-01

    To study the temperature dependence of ultraviolet absorption characteristics of NO species in flue gas, the absorption cross sections of NO in the spectral region 200-230 nm at temperatures ranging from 285 to 410 K were measured using a grating monochromator with 0.2 nm resolution, a deuterium lamp and a specially-fabricated closed sample cell. The absorption spectrum of NO consists of discrete bands superimposed on a continuous base. Results indicated that discrete absorption bands were present with a fixed wavelength interval of roughly 10.5 nm. The peaks of discrete bands decreased first and started to increase later as the temperature rose from 285 to 410 K, with a maximum relative variation of 19.3%. Peak position and half width of the absorption peaks did not exhibit apparent change with the variation of temperature. Continuous absorption cross section increased monotonously with the temperature, and the variation gradient gradually decrease with wavelength red shift. The absorption cross section of NO should not be considered as constant when applied in online monitoring of NO concentration in flue gas. A compensation calculation of absorption cross section with respect to temperature effect is indispensable for the purpose of improving online measurement precision of NO concentration.

  12. Influence of transannular interaction over absorption and fluorescent properties of [2.2] paracyclophane and its phenyl derivatives

    NASA Astrophysics Data System (ADS)

    Nurmukhametov, R. N.; Shapovalov, A. V.; Antonov, D. Yu.

    2016-12-01

    A significant bathochromic shift of the fluorescent and long-wavelength absorption bands of [2.2] paracyclophane comparing to corresponding bands of alkyl-benzenes is due to a strong transannular interaction, resulting in formation of a principally new excited state of lower energy. It is concluded that the fluorescent levels for alkylbenzene excimers and for the macrocycle are of the same nature. Analysis of [2.2] paracyclophane mono- and diphenylderivatives spectra shows that their intensive absorption bands (230-310 nm) are originated from electron transitions of biphenyl groups and weak long wavelength absorption (310-340 nm) and fluorescent bands are governed by the same electron transitions between ground and excimer-like excited states as in the case of non-substituted macrocycle.

  13. Band-engineered CaTiO3 nanowires for visible light photocatalysis

    NASA Astrophysics Data System (ADS)

    Fu, Q.; Li, J. L.; He, T.; Yang, G. W.

    2013-03-01

    We have theoretically investigated the structural, electronic, and optical properties of the perovskite CaTiO3 nanowires for visible light photocatalytic applications using pseudopotential density-functional theory calculations. The electronic structure calculations show that the band gap is greatly modified in the CaTiO3 nanowires compared with that of the bulk. For the TiO2-terminated nanowires, the electronic states on the valence band maxima induced by combining oxygen and calcium atoms on the surface lead to a shift in the valence band toward the conduction band without interference from the edge of the conduction band, which reduces the band gap. On the contrary, the electronic states induced by combining oxygen and calcium atoms on the surface of the CaO-terminated nanowires lead to a shift in the conduction band toward the valence band. The calculated optical results indicate that the absorption edge of the nanowires shifts towards the red-light region. These theoretical results suggest that the perovskite CaTiO3 nanowires are promising candidates for visible light photocatalysis such as solar-assisted water splitting reactions.

  14. Band-engineered SrTiO3 nanowires for visible light photocatalysis

    NASA Astrophysics Data System (ADS)

    Fu, Q.; He, T.; Li, J. L.; Yang, G. W.

    2012-11-01

    We have theoretically investigated the structural, electronic, and optical properties of perovskite SrTiO3 nanowires for use in visible light photocatalytic applications using pseudopotential density-functional theory calculations. The electronic structure calculations show that the band gap is modified in the SrTiO3 nanowires compared with that of the bulk. For TiO2-terminated nanowires, the mid-band states induced by the combination of oxygen and strontium atoms on the surface lead to a shift in the valence band toward the conduction band without interference from the edge of the conduction band, which reduces the band gap. On the contrary, the electronic states induced by the combination of oxygen and strontium atoms on the surface of SrO-terminated nanowires lead to a shift in the conduction band toward the valence band. The calculated optical results indicate that the absorption edge of the nanowires shift towards the red-light region. These theoretical results suggest that perovskite SrTiO3 nanowires are promising candidates for use in visible light photocatalytic processes such as solar-assisted water splitting reactions.

  15. Anti-Stokes shift luminescent materials for bio-applications.

    PubMed

    Zhu, Xingjun; Su, Qianqian; Feng, Wei; Li, Fuyou

    2017-02-20

    Anti-Stokes shift luminescence is a special optical process, which converts long-wavelength excitation to short-wavelength emission. This unique ability is especially helpful for bio-applications, because the longer-wavelength light source, usually referring to near infrared light, has a larger penetration depth offering a longer working distance for in vivo applications. The anti-Stokes shift luminescence signal can also be distinguished from the auto-fluorescence of biological tissues, thus reducing background interference during bioimaging. Herein, we summarize recent advances in anti-Stokes shift luminescent materials, including lanthanide and triplet-triplet-annihilation-based upconversion nanomaterials, and newly improved hot-band absorption-based luminescent materials. We focus on the synthetic strategies, optical optimization and biological applications as well as present comparative discussions on the luminescence mechanisms and characteristics of these three types of luminescent materials.

  16. Low-temperature high-resolution absorption spectrum of 14NH3 in the ν1+ν3 band region (1.51 μm)

    NASA Astrophysics Data System (ADS)

    Földes, T.; Golebiowski, D.; Herman, M.; Softley, T. P.; Di Lonardo, G.; Fusina, L.

    2014-09-01

    Jet-cooled spectra of 14NH3 and 15NH3 in natural abundance were recorded using cavity ring-down (CRDS, 6584-6670 cm-1) and cavity enhanced absorption (CEAS, 6530-6700 cm-1) spectroscopy. Line broadening effects in the CRDS spectrum allowed lines with J″-values between 0 and 3 to be identified. Intensity ratios in 14NH3 between the jet-cooled CRDS and literature room-temperature data from Sung et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012), 1066) further assisted the line assignments. Ground state combination differences were extensively used to support the assignments, providing reliable values for J, K and inversion symmetry of the ground state vibrational levels. CEAS data helped in this respect for the lowest J lines, some of which are saturated in the CRDS spectrum. Further information on a/s doublets arose from the observed spectral structures. Thirty-two transitions of 14NH3 were assigned in this way and a limited but significant number (19) of changes in the assignments results, compared to Sung et al. or to Cacciani et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012), 1084). Sixteen known and 25 new low-J transitions were identified for 15NH3 in the CRDS spectrum but the much scarcer literature information did not allow for any more refined assignment. The present line position measurements improve on literature values published for 15NH3 and on some line positions for 14NH3.

  17. Effect of Substitution of Mn, Cu, and Zr on the Structural, Magnetic, and Ku-Band Microwave-Absorption Properties of Strontium Hexaferrite Nanoparticles

    NASA Astrophysics Data System (ADS)

    Rostami, Mohammad; Moradi, Mahmood; Alam, Reza Shams; Mardani, Reza

    2016-08-01

    The ferrites with the compositions of SrMn x Cu x Zr2 x Fe(12-4 x)O19 ( x = 0.0, 0.2, 0.3, 0.4, and 0.5) are synthesized by the coprecipitation method. The formation of M-type hexaferrite is confirmed by x-ray diffraction (XRD) and Fourier transform infrared (FTIR) analyses. The morphology of the samples is shown by field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) microscopy. Vibrating sample magnetometer (VSM) analysis has been used for the investigation of the magnetic properties, and the reason for the changes in the magnetic properties as a result of doping, are expressed. The values of coercivity decrease by increasing the amount of substitution, which could be related to the modification of anisotropy form the c-axis toward the c-plane. Finally, we have used vector network analysis to investigate the microwave absorption properties. We find that the samples with the composition of SrMn0.4Cu0.4Zr0.8Fe10.4O19 have the largest reflection loss and the widest bandwidth among these samples.

  18. 13C(16)O(2): Global Treatment of Vibrational-Rotational Spectra and First Observation of the 2nu(1) + 5nu(3) and nu(1) + 2nu(2) + 5nu(3) Absorption Bands.

    PubMed

    Tashkun; Perevalov; Teffo; Lecoutre; Huet; Campargue; Bailly; Esplin

    2000-04-01

    The effective operator approach is applied to the calculation of both line positions and line intensities of the (13)C(16)O(2) molecule. About 11 000 observed line positions of (13)C(16)O(2) selected from the literature have been used to derive 84 parameters of a reduced effective Hamiltonian globally describing all known vibrational-rotational energy levels in the ground electronic state. The standard deviation of the fit is 0.0015 cm(-1). The eigenfunctions of this effective Hamiltonian have then been used in fittings of parameters of an effective dipole-moment operator to more than 600 observed line intensities of the cold and hot bands covering the nu(2) and 3nu(2) regions. The standard deviations of the fits are 3.2 and 12.0% for these regions, respectively. The quality of the fittings and the extrapolation properties of the fitted parameters are discussed. A comparison of calculated line parameters with those provided by the HITRAN database is given. Finally, the first observations of the 2nu(1) + 5nu(3) and nu(1) + 2nu(2) + 5nu(3) absorption bands by means of photoacoustic spectroscopy (PAS) is presented. The deviations of predicted line positions from observed ones is found to be less than 0.1 cm(-1), and most of them lie within the experimental accuracy (0.007 cm(-1)) once the observed line positions are included in the global fit. Copyright 2000 Academic Press.

  19. ANOMALOUS DIFFUSE INTERSTELLAR BANDS IN THE SPECTRUM OF HERSCHEL 36. I. OBSERVATIONS OF ROTATIONALLY EXCITED CH AND CH{sup +} ABSORPTION AND STRONG, EXTENDED REDWARD WINGS ON SEVERAL DIBs

    SciTech Connect

    Dahlstrom, Julie; York, Donald G.; Welty, Daniel E.; Oka, Takeshi; Johnson, Sean; Jiang Zihao; Sherman, Reid; Hobbs, L. M.; Friedman, Scott D.; Sonnentrucker, Paule; Rachford, Brian L.; Snow, Theodore P.

    2013-08-10

    Anomalously broad diffuse interstellar bands (DIBs) at 5780.5, 5797.1, 6196.0, and 6613.6 A are found in absorption along the line of sight to Herschel 36, the star illuminating the bright Hourglass region of the H II region Messier 8. Interstellar absorption from excited CH{sup +} in the J = 1 level and from excited CH in the J = 3/2 level is also seen. To our knowledge, neither those excited molecular lines nor such strongly extended DIBs have previously been seen in absorption from interstellar gas. These unusual features appear to arise in a small region near Herschel 36 which contains most of the neutral interstellar material in the sight line. The CH{sup +} and CH in that region are radiatively excited by strong far-IR radiation from the adjacent infrared source Her 36 SE. Similarly, the broadening of the DIBs toward Herschel 36 may be due to radiative pumping of closely spaced high-J rotational levels of relatively small, polar carrier molecules. If this picture of excited rotational states for the DIB carriers is correct and applicable to most DIBs, the 2.7 K cosmic microwave background may set the minimum widths (about 0.35 A) of known DIBs, with molecular processes and/or local radiation fields producing the larger widths found for the broader DIBs. Despite the intense local UV radiation field within the cluster NGC 6530, no previously undetected DIBs stronger than 10 mA in equivalent width are found in the optical spectrum of Herschel 36, suggesting that neither dissociation nor ionization of the carriers of the known DIBs by this intense field creates new carriers with easily detectable DIB-like features. Possibly related profile anomalies for several other DIBs are noted.

  20. LINE ABSORPTION OSCILLATOR STRENGTHS FOR THE c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(0-5) BANDS IN N{sub 2}

    SciTech Connect

    Lavin, C.; Velasco, A. M.

    2011-09-20

    Theoretical absorption oscillator strengths and emission branching ratios for rotational lines of the c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(0-5) bands of molecular nitrogen are reported. The calculations have been performed with the molecular quantum defect orbital method, which has proved to be reliable in previous studies of rovibronic transitions in diatomic molecules. The strong interaction between c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3) and b' {sup 1}{Sigma}{sup +}{sub u}(10) states has been analyzed through an interaction matrix that includes rotational terms. Owing to the perturbation, the c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(0), c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(1), and c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(5) bands are not weak, in contrast to what would be expected on the basis of the Franck-Condon principle. Moreover, the intensity distribution of the rotational lines within each of the vibronic bands deviates from considerations based on Hoenl-London factors. In this work, we provide data that may be useful to interpret spectra from atmospheres of the Earth, Titan, and Triton, in which transitions from the c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3) level have been detected.

  1. Theoretical analysis of electronic absorption spectra of vitamin B12 models

    NASA Astrophysics Data System (ADS)

    Andruniow, Tadeusz; Kozlowski, Pawel M.; Zgierski, Marek Z.

    2001-10-01

    Time-dependent density-functional theory (TD-DFT) is applied to analyze the electronic absorption spectra of vitamin B12. To accomplish this two model systems were considered: CN-[CoIII-corrin]-CN (dicyanocobinamide, DCC) and imidazole-[CoIII-corrin]-CN (cyanocobalamin, ImCC). For both models 30 lowest excited states were calculated together with transition dipole moments. When the results of TD-DFT calculations were directly compared with experiment it was found that the theoretical values systematically overestimate experimental data by approximately 0.5 eV. The uniform adjustment of the calculated transition energies allowed detailed analysis of electronic absorption spectra of vitamin B12 models. All absorption bands in spectral range 2.0-5.0 eV were readily assigned. In particular, TD-DFT calculations were able to explain the origin of the shift of the lowest absorption band caused by replacement of the-CN axial ligand by imidazole.

  2. New transient absorption observed in the spectrum of colloidal CdSe nanoparticles pumped with high-power femtosecond pulses

    SciTech Connect

    Burda, C.; Link, S.; Green, T.C.; El-Sayed, M.A.

    1999-12-09

    The power dependence of the transient absorption spectrum of CdSe nanoparticle colloids with size distribution of 4.0 {+-} 0.4 nm diameter is studied with femtosecond pump-probe techniques. At the lowest pump laser power, the absorption bleaching (negative spectrum) characteristic of the exciton spectrum is observed with maxima at 560 and 480 nm. As the pump laser power increases, two new transient absorptions at 510 and 590 nm with unresolved fast rise (<100 fs) and long decay times ({much{underscore}gt}150 ps) are observed. The energy of each of the positive absorption is red shifted from that of the bleach bands by {approximately}120 MeV. The origin of this shift is discussed in terms of the effect of the internal electric field of the many electron-hole pairs formed within the quantum dot at the high pump intensity, absorption from a metastable excited state or the formation of biexcitons.

  3. Band models and correlations for infrared radiation

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.

    1975-01-01

    Absorption of infrared radiation by various line and band models are briefly reviewed. Narrow band model relations for absorptance are used to develop 'exact' formulations for total absorption by four wide band models. Application of a wide band model to a particular gas largely depends upon the spectroscopic characteristic of the absorbing-emitting molecule. Seven continuous correlations for the absorption of a wide band model are presented and each one of these is compared with the exact (numerical) solutions of the wide band models. Comparison of these results indicate the validity of a correlation for a particular radiative transfer application. In radiative transfer analyses, use of continuous correlations for total band absorptance provides flexibilities in various mathematical operations.

  4. Theoretical and experimental study on the electronic structure and optical absorption properties of P-doped TiO 2

    NASA Astrophysics Data System (ADS)

    Xu, Ling; Tang, Chao-Qun; Qian, Jun; Huang, Zong-Bin

    2010-02-01

    Phosphorus-doped nanosized TiO 2 powders were prepared by a sol-gel technology. The optical absorption studies revealed that the spectral responses of phosphorus-doped (P-doped) TiO 2 powders shift to the visible light region. The optimum phosphorus (P) content in our experiments is 16.7% (mol), and the corresponding absorption edge shifts to 450 nm. Furthermore, our ab initio calculations support the conclusion that the doping of phosphorus can reduce the band gap by mixing the P 3p states with O 2p states. The theoretical lattice parameters and optimum phosphorus content are in agreement with the experimental results.

  5. Shifting Attention

    ERIC Educational Resources Information Center

    Ingram, Jenni

    2014-01-01

    This article examines the shifts in attention and focus as one teacher introduces and explains an image that represents the processes involved in a numeric problem that his students have been working on. This paper takes a micro-analytic approach to examine how the focus of attention shifts through what the teacher and students do and say in the…

  6. A study of the absorption features of Makemake

    NASA Astrophysics Data System (ADS)

    Alvarez-Candal, A.; Pinilla-Alonso, N.; Ortiz, J.; Duffard, R.; Carvano, J.; de Pra, M.

    2014-07-01

    Most transneptunian objects do not show prominent absorption features due to the size and location [1]. Nevertheless, absorption due to water ice and volatile ices do appear on a few large objects, particularly those that have good signal-to-noise-ratio spectra. In particular, methane appears in three dwarf planets (Pluto, Eris, and Makemake), as well as in some smaller objects, such as Quaoar and probably Sedna, and in Neptune's satellite Triton. Methane has such intense absorption features that even small amounts of methane on the surface dominate the reflectance spectra in the visible and near-infrared range, making it a great tool to probe surfaces, especially, considering that the depth of the bands could be used as a proxy for physical depths and that shifts in the bands with respect to laboratory measurements could point to possible dilutions (as seen in Pluto and Eris; for instance [3] and references therein). Aiming at gaining a deeper insight into Makemake's surface through its methane absorption bands, we have observed it with X-Shooter at the VLT with a medium spectral resolution in the range of 0.4--1.8 microns. In this work, we present the results of comparing these features with those of methane in the laboratory and the same features in Eris and Pluto, within the context of methane-dominated spectra of dwarf planets.

  7. Full Spectral Resolution Data Generation from the Cross-track Infrared Sounder on S-NPP at NOAA and its Use to Investigate Uncertainty in Methane Absorption Band Near 7.66 µm

    NASA Astrophysics Data System (ADS)

    Xiong, X.; Peischl, J.; Ryerson, T. B.; Sasakawa, M.; Han, Y.; Chen, Y.; Wang, L.; Tremblay, D.; Jin, X.; Zhou, L.; Liu, Q.; Weng, F.; Machida, T.

    2015-12-01

    The Cross-track Infrared Sounder (CrIS) on Suomi National Polar-orbiting Partnership Satellite (S-NPP) is a Fourier transform spectrometer for atmospheric sounding. CrIS on S-NPP started to provide measurements in 1305 channels in its normal mode since its launch on November 2011 to December 4, 2014, and after that it was switched to the full spectral resolution (FSR) mode, in which the spectral resolutions are 0.625 cm-1 in all the MWIR (1210-1750 cm-1), SWIR (2155-2550 cm-1) and the LWIR bands (650-1095 cm-1) with a total of 2211 channels. While the NOAA operational Sensor Data Record (SDR) processing (IDPS) continues to produce the normal resolution SDRs by truncating full spectrum RDR data, NOAA STAR started to process the FSR SDRs data since December 4, 2014 to present, and the data is being delivered through NOAA STAR website (ftp://ftp2.star.nesdis.noaa.gov/smcd/xxiong/). The current FSR processing algorithm was developed on basis of the CrIS Algorithm Development Library (ADL), and is the baseline of J-1 CrIS SDR algorithm. One major benefit to use the FSR data is to improve the retrieval of atmospheric trace gases, such as CH4, CO and CO2 . From our previous studies to retrieve CH4 using Atmospheric Infrared Sounder (AIRS) and Infrared Atmospheric Sounding Interferometer (IASI), it was found the uncertainty in the CH4 absorption band is up to 1-2%. So, in this study we computed the radiance using the community radiative transfer model (CRTM) and line-by-line model, with the inputs of "truth" of atmospheric temperature and moisture profiles from ECMWF model (and/or RAOB sounding) and CH4 profiles from in-situ aircraft measurements, then convoluted with the response function of CrIS. The difference between the simultaed radiance and the collocated CrIS FSR data is used to exam the uncertainty in these strong absorption channels.Through the improved fitting to the transmittance in these channels, it is expected to improve the retrieval of CH4 using CrIS on S

  8. Band structure of InAsSb strained-layer superlattices

    NASA Astrophysics Data System (ADS)

    Liu, Lifeng; Lee, G. S.; Marshak, A. H.

    1992-02-01

    Band structures of relaxed InSb/InAs1-xSbx strained-layer superlattices (SLSs) were calculated based on Herman-Skillman neutral atom ionization energies, effective dipole theory, and strain shift of band edges. The conduction-band minimum and the valence-band maximum of InAs1-xSbx are lower in energy than those of InSb, respectively. The band structures of InSb/InAs1-xSbx are type II SLSs and an extreme type II superlattice is predicted for x<0.82. This extreme type II superlattice with a proper structure factor can have favorable properties for infrared detectors covering the 8-12 μm wavelength range. The requirement for layer thickness of InSb/InAs1-xSbx SLSs with different absorption mechanisms was discussed.

  9. L(alpha)-induced two-photon absorption of visible light emitted from an O-type star by H2(+) ions located near the surface of the Stromgren sphere surrounding the star: A possible explanation for the diffuse interstellar absorption bands (DIDs)

    NASA Technical Reports Server (NTRS)

    Glownia, James H.; Sorokin, Peter P.

    1994-01-01

    In this paper, a new model is proposed to account for the DIB's (Diffuse Interstellar Bands). In this model, the DIB's result from a non-linear effect: resonantly-enhanced two-photon absorption of H(2+) ions located near the surface of the Stromgren sphere that surrounds an O- or B- type star. The strong light that is required to 'drive' the two-photon transition is provided by L(alpha) light emerging from the Stromgren sphere that bounds the H II region surrounding the star. A value of approximately 100 micro W/sq cm is estimated for the L(alpha) flux at the Stromgren radius, R(s), of a strong (O5) star. It is shown that a c.w. L(alpha) flux of this intensity should be sufficient to induce a few percent absorption for visible light radiated by the same star at a frequency (omega2) that completes an allowed two-photon transition, provided (1) the L(alpha) radiation happens to be nearly resonant with the frequency of a fully-allowed absorber transition that effectively represents the first step in the two-photon transition, and (2) an effective column density approximately 10(sup18)/sq cm of the absorber is present near the Stromgren sphere radius, R(sub s).

  10. Giant Zeeman shifts in the optical transitions of yttrium iron garnet thin films

    NASA Astrophysics Data System (ADS)

    Vidyasagar, R.; Alves Santos, O.; Holanda, J.; Cunha, R. O.; Machado, F. L. A.; Ribeiro, P. R. T.; Rodrigues, A. R.; Mendes, J. B. S.; Azevedo, A.; Rezende, S. M.

    2016-09-01

    We report the observation of giant Zeeman shifts in the optical transitions of high-quality very thin films of yttrium iron garnet (YIG) grown by rf sputtering on gadolinium gallium garnet substrates. The optical absorption profile measured with magneto-optical absorption spectroscopy shows dual optical transition in the UV-visible frequency region attributed to transitions from the O-2p valence band to the Fe-3d conduction band and from the O-2p valence band to Fe-2p53d6 excitonic states at the Γ-symmetry point of the YIG band structure. The application of a static magnetic field of only 0.6 kOe produces giant Zeeman shifts of ˜100 meV in the YIG band structure and ˜60 meV in the excitonic states corresponding to effective g-factors on the order of 104. The giant Zeeman effects are attributed to changes in energy levels by the large exchange fields of the Fe-3d orbitals during the magnetization process.

  11. Petawatt laser absorption bounded

    PubMed Central

    Levy, Matthew C.; Wilks, Scott C.; Tabak, Max; Libby, Stephen B.; Baring, Matthew G.

    2014-01-01

    The interaction of petawatt (1015 W) lasers with solid matter forms the basis for advanced scientific applications such as table-top particle accelerators, ultrafast imaging systems and laser fusion. Key metrics for these applications relate to absorption, yet conditions in this regime are so nonlinear that it is often impossible to know the fraction of absorbed light f, and even the range of f is unknown. Here using a relativistic Rankine-Hugoniot-like analysis, we show for the first time that f exhibits a theoretical maximum and minimum. These bounds constrain nonlinear absorption mechanisms across the petawatt regime, forbidding high absorption values at low laser power and low absorption values at high laser power. For applications needing to circumvent the absorption bounds, these results will accelerate a shift from solid targets, towards structured and multilayer targets, and lead the development of new materials. PMID:24938656

  12. Experimental study of NIR absorption due to Nb4+ polarons in pure and Cr- or Ce-doped SBN crystals

    NASA Astrophysics Data System (ADS)

    Gao, Ming; Kapphan, S.; Porcher, S.; Pankrath, R.

    1999-06-01

    A broad absorption band around 0.72 eV, assigned to the absorption of Nb4+ polarons, is observed in strontium barium niobate (SBN) crystals (nominally pure or Cr- or Ce-doped) either under illumination at low temperature or after a previous reduction treatment. The absorption spectra of Nb4+ polarons at low temperature show considerable dichroism, which in reduced SBN crystals exists even far above room temperature. The peak position of the Nb4+ polaron absorption in reduced SBN crystals shifts to higher energies with decreasing temperature. The dependence on light intensity and temperature of the Nb4+ polaron absorption during the build-up process under illumination and the decay process after the illumination is switched off are investigated in detail. Compared with pure SBN, doping with Ce or Cr creates additional absorption bands in the visible (2.6 eV) and red (1.9 eV for Cr doping) spectral regions. Illumination in these absorption bands at low temperature gives rise to strong Nb4+ polaron absorption in the NIR (0.72 eV), giving evidence of the enhanced sensitivity even in the red spectral region for SBN:Cr. The light-induced charge transfer process and formation of Nb4+ polarons in SBN are briefly discussed.

  13. Dual band metamaterial perfect absorber based on artificial dielectric "molecules".

    PubMed

    Liu, Xiaoming; Lan, Chuwen; Li, Bo; Zhao, Qian; Zhou, Ji

    2016-07-13

    Dual band metamaterial perfect absorbers with two absorption bands are highly desirable because of their potential application areas such as detectors, transceiver system, and spectroscopic imagers. However, most of these dual band metamaterial absorbers proposed were based on resonances of metal patterns. Here, we numerically and experimentally demonstrate a dual band metamaterial perfect absorber composed of artificial dielectric "molecules" with high symmetry. The artificial dielectric "molecule" consists of four "atoms" of two different sizes corresponding to two absorption bands with near unity absorptivity. Numerical and experimental absorptivity verify that the dual-band metamaterial absorber is polarization insensitive and can operate in wide-angle incidence.

  14. Synthesis and evaluation of changes induced by solvent and substituent in electronic absorption spectra of some azo disperse dyes.

    PubMed

    Mohammadi, Asadollah; Yazdanbakhsh, Mohammad Reza; Farahnak, Lahya

    2012-04-01

    Five azo disperse dyes were prepared by diazotizing 4'-aminoacetophenone and p-anisidine and coupling with varies N-alkylated aromatic amines. Characterization of the dyes was carried out by using UV-vis, FTIR and 1H NMR spectroscopic techniques. The electronic absorption spectra of dyes are determined at room temperature in fifteen solvents with different polarities. The solvent dependent maximum absorption band shifts, were investigated using dielectric constant (ɛ), refractive index (n) and Kamlet-Taft polarity parameters (hydrogen bond donating ability (α), hydrogen bond accepting ability (β) and dipolarity/polarizability polarity scale (π*)). Acceptable agreement was found between the maximum absorption band of dyes and solvent polarity parameters especially with π*. The effect of substituents of coupler and/or diazo component on the color of dyes was investigated. The effects of acid and base on the visible absorption maxima of the dyes are also reported.

  15. Fluid Shifts

    NASA Technical Reports Server (NTRS)

    Stenger, M. B.; Hargens, A.; Dulchavsky, S.; Ebert, D.; Lee, S.; Laurie, S.; Garcia, K.; Sargsyan, A.; Martin, D.; Lui, J.; Macias, B.; Arbeille, P.; Danielson, R.; Chang, D.; Gunga, H.; Johnston, S.; Westby, C.; Ribeiro, L.; Ploutz-Snyder, R.; Smith, S.

    2015-01-01

    INTRODUCTION: Mechanisms responsible for the ocular structural and functional changes that characterize the visual impairment and intracranial pressure (ICP) syndrome (VIIP) are unclear, but hypothesized to be secondary to the cephalad fluid shift experienced in spaceflight. This study will relate the fluid distribution and compartmentalization associated with long-duration spaceflight with VIIP symptoms. We also seek to determine whether the magnitude of fluid shifts during spaceflight, as well as the VIIP-related effects of those shifts, can be predicted preflight with acute hemodynamic manipulations, and also if lower body negative pressure (LBNP) can reverse the VIIP effects. METHODS: Physiologic variables will be examined pre-, in- and post-flight in 10 International Space Station crewmembers including: fluid compartmentalization (D2O and NaBr dilution); interstitial tissue thickness (ultrasound); vascular dimensions and dynamics (ultrasound and MRI (including cerebrospinal fluid pulsatility)); ocular measures (optical coherence tomography, intraocular pressure, ultrasound); and ICP measures (tympanic membrane displacement, otoacoustic emissions). Pre- and post-flight measures will be assessed while upright, supine and during 15 deg head-down tilt (HDT). In-flight measures will occur early and late during 6 or 12 month missions. LBNP will be evaluated as a countermeasure during HDT and during spaceflight. RESULTS: The first two crewmembers are in the preflight testing phase. Preliminary results characterize the acute fluid shifts experienced from upright, to supine and HDT postures (increased stroke volume, jugular dimensions and measures of ICP) which are reversed with 25 millimeters Hg LBNP. DISCUSSION: Initial results indicate that acute cephalad fluid shifts may be related to VIIP symptoms, but also may be reversible by LBNP. The effect of a chronic fluid shift has yet to be evaluated. Learning Objectives: Current spaceflight VIIP research is described

  16. Spectral shift mechanisms of chlorophylls in liquids and proteins

    NASA Astrophysics Data System (ADS)

    Renge, Indrek; Mauring, Koit

    2013-02-01

    Origins of non-excitonic spectral shifts of chlorophylls that can reach -1000 cm-1 in pigment-protein complexes are actively debated in literature. We investigate possible shift mechanisms, basing on absorption and fluorescence measurements in large number of liquids. Transition wavelength in solvent-free state was estimated (±2 nm) for chlorophyll a (Chl a, 647 nm), Chl b (624 nm), bacteriochlorophyll a (BChl a, 752 nm), and pheophytines. The dispersive-repulsive shift is a predominating mechanism. It depends on polarizability difference between the ground and the excited state Δα and the Lorenz-Lorentz function of refractive index of solvent (n). The approximate (±2 Å3) increase of polarizability Δα is close to 15 Å3 for S1 bands of Chl a, BChl a, and BPheo a, slightly larger for Chl b (18 Å3), and less for Pheo a (11 Å3). The effect of solvent polarity, expressed in terms of static dielectric permittivity (ɛ) is relatively minor, but characteristic for different pigments and transitions. Remarkably, maximum influence of ɛ on S1 band of BChl a is less (-20 ± 10 cm-1) than that for Chl a (-50 ± 10 cm-1), and not correlated with dipole moment changes on excitation Δμ (˜2 D and 0.1 ± 0.1 D, respectively). Hydrogen bonding in protic solvents produces red shifts in Chl a (-60 cm-1) and BChl a (-100 cm-1), but not in Chl b. Second axial ligand of BChl a has no influence on the S1 band, whereas the S2 transition suffers a -400 to -600 cm-1 down shift. Aromatic character of solvent is responsible for a ˜-100 cm-1 red shift of both Q transitions in BChl a. The S1 bands in chlorophylls are relatively insensitive with respect to dielectric properties and specific solvation. Therefore, nontrivial mechanisms, yielding large site-energy shifts are expected in photosynthetic chlorophyll-proteins.

  17. Spectral shift mechanisms of chlorophylls in liquids and proteins.

    PubMed

    Renge, Indrek; Mauring, Koit

    2013-02-01

    Origins of non-excitonic spectral shifts of chlorophylls that can reach -1,000 cm(-1) in pigment-protein complexes are actively debated in literature. We investigate possible shift mechanisms, basing on absorption and fluorescence measurements in large number of liquids. Transition wavelength in solvent-free state was estimated (±2 nm) for chlorophyll a (Chl a, 647 nm), Chl b (624 nm), bacteriochlorophyll a (BChl a, 752 nm), and pheophytines. The dispersive-repulsive shift is a predominating mechanism. It depends on polarizability difference between the ground and the excited state Δα and the Lorenz-Lorentz function of refractive index of solvent (n). The approximate (± 2Å(3)) increase of polarizability Δα is close to 15Å(3) for S(1) bands of Chl a, BChl a, and BPheo a, slightly larger for Chl b (18Å(3)), and less for Pheo a (11Å(3)). The effect of solvent polarity, expressed in terms of static dielectric permittivity (ε) is relatively minor, but characteristic for different pigments and transitions. Remarkably, maximum influence of ε on S(1) band of BChl a is less (-20 ± 10 cm(-1)) than that for Chl a (-50 ± 10 cm(-1)), and not correlated with dipole moment changes on excitation Δμ (∼2D and 0.1 ± 0.1D, respectively). Hydrogen bonding in protic solvents produces red shifts in Chl a (-60 cm(-1)) and BChl a (-100 cm(-1)), but not in Chl b. Second axial ligand of BChl a has no influence on the S(1) band, whereas the S(2) transition suffers a -400 to -600 cm(-1) down shift. Aromatic character of solvent is responsible for a ∼-100 cm(-1) red shift of both Q transitions in BChl a. The S(1) bands in chlorophylls are relatively insensitive with respect to dielectric properties and specific solvation. Therefore, nontrivial mechanisms, yielding large site-energy shifts are expected in photosynthetic chlorophyll-proteins.

  18. Self-aggregation and optical absorption of stilbazolium merocyanine in chloroform.

    PubMed

    Silva, Daniel L; Murugan, N Arul; Kongsted, Jacob; Ågren, Hans; Canuto, Sylvio

    2014-02-20

    Dipolar aggregation is in many cases detrimental for the functioning of optical materials. In this study we investigate self-aggregation and optical absorption of stilbazolium merocyanine (SM) in chloroform solution by performing classical Molecular Dynamics (MD) simulations under ambient conditions. The reversal solvatochromic shift, the large bathochromic shift, and the structured absorption band presented by SM in chloroform solution are all aspects of its optical absorption behavior for which the existence of self-aggregation is yet not completely understood. Moreover, the spectroscopic properties of SM oligomers and their occurrence in solvent of low polarity remain a relevant topic that deserves to be investigated. Our analysis of the aggregation behavior of SM in chloroform verified that the majority of the chromophores are involved in the formation of oligomers in solution, where the whole dimer and part of the trimer populations present a stable π-stacking structure. The optical properties of the monomers and oligomers in solution were evaluated by means of a discrete polarizable embedding quantum mechanical/molecular mechanical (PE-QM/MM) response scheme where the quantum part is described at the level of density functional theory. The visible absorption spectrum of SM in chloroform is simulated using time average values obtained for the monomeric and oligomeric forms of SM from the PE-QM/MM calculations performed on uncorrelated configurations extracted from the classical MD simulations. This study shows that the self-aggregation of SM in chloroform may exist, but it is not essential for reproducing the reversal solvatochromic shift in chloroform and that the process does not contribute to enhance the bathochromic shift nor explain the structure observed in its absorption band. Moreover, it is verified that since the electronic transitions of the monomer and oligomers are close together, changes in the interplane separation between the monomeric units

  19. Analysis of absorption spectra of purple bacterial reaction centers in the near infrared region by higher order derivative spectroscopy.

    PubMed

    Mikhailyuk, I K; Knox, P P; Paschenko, V Z; Razjivin, A P; Lokstein, H

    2006-06-20

    Reaction centers (RCs) of purple bacteria are uniquely suited objects to study the mechanisms of the photosynthetic conversion of light energy into chemical energy. A recently introduced method of higher order derivative spectroscopy [I.K. Mikhailyuk, H. Lokstein, A.P. Razjivin, A method of spectral subband decomposition by simultaneous fitting the initial spectrum and a set of its derivatives, J. Biochem. Biophys. Methods 63 (2005) 10-23] was used to analyze the NIR absorption spectra of RC preparations from Rhodobacter (R.) sphaeroides strain 2R and Blastochloris (B.) viridis strain KH, containing bacteriochlorophyll (BChl) a and b, respectively. Q(y) bands of individual RC porphyrin components (BChls and bacteriopheophytins, BPheo) were identified. The results indicate that the upper exciton level P(y+) of the photo-active BChl dimer in RCs of R. sphaeroides has an absorption maximum of 810nm. The blue shift of a complex integral band at approximately 800nm upon oxidation of the RC is caused primarily by bleaching of P(y+), rather than by an electrochromic shift of the absorption band(s) of the monomeric BChls. Likewise, the disappearance of a band peaking at 842nm upon oxidation of RCs from B. viridis indicates that this band has to be assigned to P(y+). A blue shift of an absorption band at approximately 830nm upon oxidation of RCs of B. viridis is also essentially caused by the disappearance of P(y+), rather than by an electrochromic shift of the absorption bands of monomeric BChls. Absorption maxima of the monomeric BChls, B(B) and B(A) are at 802 and 797nm, respectively, in RCs of R. sphaeroides at room temperature. BPheo co-factors H(B) and H(A) peak at 748 and 758nm, respectively, at room temperature. For B. viridis RCs the spectral positions of H(B) and H(A) were found to be 796 and 816nm, respectively, at room temperature.

  20. Design principles for shift current photovoltaics

    PubMed Central

    Cook, Ashley M.; M. Fregoso, Benjamin; de Juan, Fernando; Coh, Sinisa; Moore, Joel E.

    2017-01-01

    While the basic principles of conventional solar cells are well understood, little attention has gone towards maximizing the efficiency of photovoltaic devices based on shift currents. By analysing effective models, here we outline simple design principles for the optimization of shift currents for frequencies near the band gap. Our method allows us to express the band edge shift current in terms of a few model parameters and to show it depends explicitly on wavefunctions in addition to standard band structure. We use our approach to identify two classes of shift current photovoltaics, ferroelectric polymer films and single-layer orthorhombic monochalcogenides such as GeS, which display the largest band edge responsivities reported so far. Moreover, exploring the parameter space of the tight-binding models that describe them we find photoresponsivities that can exceed 100 mA W−1. Our results illustrate the great potential of shift current photovoltaics to compete with conventional solar cells. PMID:28120823

  1. Design principles for shift current photovoltaics

    NASA Astrophysics Data System (ADS)

    Cook, Ashley M.; M. Fregoso, Benjamin; de Juan, Fernando; Coh, Sinisa; Moore, Joel E.

    2017-01-01

    While the basic principles of conventional solar cells are well understood, little attention has gone towards maximizing the efficiency of photovoltaic devices based on shift currents. By analysing effective models, here we outline simple design principles for the optimization of shift currents for frequencies near the band gap. Our method allows us to express the band edge shift current in terms of a few model parameters and to show it depends explicitly on wavefunctions in addition to standard band structure. We use our approach to identify two classes of shift current photovoltaics, ferroelectric polymer films and single-layer orthorhombic monochalcogenides such as GeS, which display the largest band edge responsivities reported so far. Moreover, exploring the parameter space of the tight-binding models that describe them we find photoresponsivities that can exceed 100 mA W-1. Our results illustrate the great potential of shift current photovoltaics to compete with conventional solar cells.

  2. Design principles for shift current photovoltaics.

    PubMed

    Cook, Ashley M; M Fregoso, Benjamin; de Juan, Fernando; Coh, Sinisa; Moore, Joel E

    2017-01-25

    While the basic principles of conventional solar cells are well understood, little attention has gone towards maximizing the efficiency of photovoltaic devices based on shift currents. By analysing effective models, here we outline simple design principles for the optimization of shift currents for frequencies near the band gap. Our method allows us to express the band edge shift current in terms of a few model parameters and to show it depends explicitly on wavefunctions in addition to standard band structure. We use our approach to identify two classes of shift current photovoltaics, ferroelectric polymer films and single-layer orthorhombic monochalcogenides such as GeS, which display the largest band edge responsivities reported so far. Moreover, exploring the parameter space of the tight-binding models that describe them we find photoresponsivities that can exceed 100 mA W(-1). Our results illustrate the great potential of shift current photovoltaics to compete with conventional solar cells.

  3. Fluid Shifts

    NASA Technical Reports Server (NTRS)

    Stenger, M.; Hargens, A.; Dulchavsky, S.; Ebert, D.; Lee, S.; Lauriie, S.; Garcia, K.; Sargsyan, A.; Martin, D.; Ribeiro, L.; Lui, J.; Macias, B.; Arbeille, P.; Danielson, R.; Chang, D.; Johnston, S.; Ploutz-Snyder, R.; Smith, S.

    2016-01-01

    NASA is focusing on long-duration missions on the International Space Station (ISS) and future exploration-class missions beyond low-Earth orbit. Visual acuity changes observed after short-duration missions were largely transient, but more than 50% of ISS astronauts experienced more profound, chronic changes with objective structural and functional findings such as papilledema and choroidal folds. Globe flattening, optic nerve sheath dilation, and optic nerve tortuosity also are apparent. This pattern is referred to as the visual impairment and intracranial pressure (VIIP) syndrome. VIIP signs and symptoms, as well as postflight lumbar puncture data, suggest that elevated intracranial pressure (ICP) may be associated with the spaceflight-induced cephalad fluid shifts, but this hypothesis has not been tested. The purpose of this study is to characterize fluid distribution and compartmentalization associated with long-duration spaceflight, and to correlate these findings with vision changes and other elements of the VIIP syndrome. We also seek to determine whether the magnitude of fluid shifts during spaceflight, as well as the VIIP-related effects of those shifts, is predicted by the crewmember's preflight conditions and responses to acute hemodynamic manipulations (such as head-down tilt). Lastly, we will evaluate the patterns of fluid distribution in ISS astronauts during acute reversal of fluid shifts through application of lower body negative pressure (LBNP) interventions to characterize and explain general and individual responses. METHODS: We will examine a variety of physiologic variables in 10 long-duration ISS crewmembers using the test conditions and timeline presented in the Figure below. Measures include: (1) fluid compartmentalization (total body water by D2O, extracellular fluid by NaBr, intracellular fluid by calculation, plasma volume by CO rebreathe, interstitial fluid by calculation); (2) forehead/eyelids, tibia, calcaneus tissue thickness (by

  4. Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

    PubMed

    Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

    2014-10-22

    We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

  5. Excited-state symmetry breaking of linear quadrupolar chromophores: A transient absorption study

    NASA Astrophysics Data System (ADS)

    Dozova, Nadia; Ventelon, Lionel; Clermont, Guillaume; Blanchard-Desce, Mireille; Plaza, Pascal

    2016-11-01

    The photophysical properties of two highly symmetrical quadrupolar chromophores were studied by both steady-state and transient absorption spectroscopy. Their excited-state behavior is dominated by the solvent-induced Stokes shift of the stimulated-emission band. The origin of this shift is attributed to symmetry breaking that confers a non-vanishing dipole moment to the excited state of both compounds. This dipole moment is large and constant in DMSO, whereas symmetry breaking appears significantly slower and leading to smaller excited-state dipole in toluene. Time-dependant increase of the excited-state dipole moment induced by weak solvation is proposed to explain the results in toluene.

  6. Giant many-body effects in liquid ammonia absorption spectrum

    NASA Astrophysics Data System (ADS)

    Ziaei, Vafa; Bredow, Thomas

    2016-11-01

    In the present work, we accurately calculate the absorption spectrum of liquid ammonia up to 13 eV using many-body perturbation approach. The electronic bandgap of liquid NH3 is perfectly described as the combination of density functional theory, Coulomb-hole screened exchange, and G0W0 approximation to the electronic self-energy, yielding a direct gap (Γ → Γ) of 7.71 eV, fully consistent with the experimentally measured gap from photo-emission spectroscopy. With respect to the NH3 optical properties, the entire spectrum in particular the low lying first absorption band is extremely affected by electron-hole interactions, leading to a fundamental redistribution of spectral weights of the independent-particle spectrum. Three well separated but broad main peaks are identified at 7.0, 9.8, and 11.8 eV with steadily increasing intensities in excellent agreement with the experimental data. Furthermore, we observe a giant net blue-shift of the first absorption peak of about 1.4 eV from gaseous to liquid phase as the direct consequence of many-body effects, allowing the associated liquid ammonia absorption band exciton to delocalize and feel more effectively the repulsion effects imposed by the surrounding solvent shells. Further, the spectrum is insensitive to the coupling of resonant and anti-resonant contributions. Concerning electronic response structure of liquid NH3, it is most sensitive to excitations at energies lower than its electronic gap.

  7. Optical Absorption of CdI2 Single Molecule and Clusters Incorporated into Zeolite Na-FAU

    NASA Astrophysics Data System (ADS)

    Nishida, Koji; Ohnishi, Akimasa; Kitaura, Mamoru; Sasaki, Minoru; Kuriyama, Yasunao

    2009-10-01

    The absorption spectra of CdI2 molecules adsorbed through a vapor phase into zeolite Na-FAU are investigated at liquid nitrogen temperature by changing the loading density Ld of CdI2 per supercage from a dilute condition of 0.1 to a saturated condition of 5.5. The theoretical absorption spectrum of a CdI2 molecule is also derived using the wave functions obtained from a relativistic self-consistent-field discrete-variational Xα calculation. A predominant band is observed at 5.8 eV together with sub-bands at 5.0 and 5.5 eV at Ld = 0.1. The comparison between the experimental and theoretical spectra clarifies that these bands originate from the electronic transitions of an isolated CdI2 molecule. Moreover, it suggests that the CdI2 molecule interacts with zeolite. Another three bands appear at 4.8, 5.3, and 6.0 eV at Ld = 2.0 when Ld increases, which are attributed to a CdI2 two-molecule cluster. The lowest absorption band continuously shifts toward the lower-energy side with an increase in Ld between 2.0 and 5.5. This shift is explained by the quantum size effect on photoexcitation energy.

  8. Dipole moment of benzonitrile in its excited S 1 state from thermochromic shifts of fluorescence spectra

    NASA Astrophysics Data System (ADS)

    Kawski, A.; Kukliński, B.; Bojarski, P.

    2006-02-01

    The effect of temperature T ranging from 293 to 393 K on absorption and fluorescence spectra of benzonitrile (BN) in ethyl acetate is studied. The absorption spectra of BN remain unchanged with increasing T. The analysis of fluorescence band shift by the Bilot and Kawski theory [L. Bilot, A. Kawski, Z. Naturforsch. 17a (1962) 621], for the known dipole moment value in the ground state μg = 4.18 D and α/ a3 = 0.5 ( α is the polarizability and a is the Onsager interaction radius of the solute), yield the average value of excited state dipole moment μe = 4.42 D. This value is in satisfactory agreement with 4.45, 4.51 and 4.57 D obtained previously from the Stark shift of rotational lines.

  9. Band heterotopia.

    PubMed

    Alam, M S; Naila, N

    2010-01-01

    Band heterotopias are one of the rarest groups of congenital disorder that result in variable degree of structural abnormality of brain parenchyma. Band of heterotopic neurons result from a congenital or acquired deficiency of the neuronal migration. MRI is the examination of choice for demonstrating these abnormalities because of the superb gray vs. white matter differentiation, detail of cortical anatomy and ease of multiplanar imaging. We report a case of band heterotopia that showed a bilateral band of gray matter in deep white matter best demonstrated on T2 Wt. and FLAIR images.

  10. Fluid Shifts

    NASA Technical Reports Server (NTRS)

    Stenger, Michael; Hargens, A.; Dulchavsky, S.; Ebert, D.; Lee, S.; Sargsyan, A.; Martin, D.; Lui, J.; Macias, B.; Arbeille, P.; Platts, S.

    2014-01-01

    NASA is focusing on long-duration missions on the International Space Station (ISS) and future exploration-class missions beyond low Earth orbit. Visual acuity changes observed after short-duration missions were largely transient, but more than 30% of ISS astronauts experience more profound, chronic changes with objective structural and functional findings such as papilledema and choroidal folds. Globe flattening, optic nerve sheath dilation, and optic nerve tortuosity also are apparent. This pattern is referred to as the visual impairment and intracranial pressure (VIIP) syndrome. VIIP signs and symptoms, as well as postflight lumbar puncture data, suggest that elevated intracranial pressure (ICP) may be associated with the space flight-induced cephalad fluid shifts, but this hypothesis has not been tested. The purpose of this study is to characterize fluid distribution and compartmentalization associated with long-duration space flight, and to correlate these findings with vision changes and other elements of the VIIP syndrome. We also seek to determine whether the magnitude of fluid shifts during space flight, as well as the VIIP-related effects of those shifts, is predicted by the crewmember's pre-flight condition and responses to acute hemodynamic manipulations (such as head-down tilt). Lastly, we will evaluate the patterns of fluid distribution in ISS astronauts during acute reversal of fluid shifts through application of lower body negative pressure (LBNP) interventions to characterize and explain general and individual responses. We will examine a variety of physiologic variables in 10 long-duration ISS crewmembers using the test conditions and timeline presented in the Figure below. Measures include: (1) fluid compartmentalization (total body water by D2O, extracellular fluid by NaBr, intracellular fluid by calculation, plasma volume by CO rebreathe, interstitial fluid by calculation); (2) forehead/eyelids, tibia, calcaneus tissue thickness (by ultrasound

  11. Motional frequency shifts of trapped ions in the Lamb-Dicke regime

    SciTech Connect

    Lizuain, I.; Muga, J. G.; Eschner, J.

    2007-09-15

    First order Doppler effects are usually ignored in laser driven trapped ions when the recoil frequency is much smaller than the trapping frequency (Lamb-Dicke regime). This means that the central, carrier excitation band is supposed to be unaffected by vibronic transitions in which the vibrational number changes. While this is strictly true in the Lamb-Dicke limit (infinitely tight confinement), the vibronic transitions do play a role in the Lamb-Dicke regime. In this paper we quantify the asymptotic behavior of their effect with respect to the Lamb-Dicke parameter. In particular, we give analytical expressions for the frequency shift, 'pulling' or 'pushing', produced in the carrier absorption band by the vibronic transitions both for Rabi and Ramsey schemes. This shift is shown to be independent of the initial vibrational state.

  12. Goos-Haenchen shift in complex crystals

    SciTech Connect

    Longhi, Stefano; Della Valle, Giuseppe; Staliunas, Kestutis

    2011-10-15

    The Goos-Haenchen (GH) effect for wave scattering from complex PT-symmetric periodic potentials (complex crystals) is theoretically investigated, with specific reference to optical GH shift in photonic crystal slabs with a sinusoidal periodic modulation of both real and imaginary parts of the dielectric constant. The analysis highlights some distinct and rather unique features as compared to the GH shift found in ordinary crystals. In particular, as opposed to GH shift in ordinary crystals, which is large at the band gap edges, in complex crystals the GH shift can be large inside the reflection (amplification) band and becomes extremely large as the PT symmetry-breaking threshold is approached.

  13. Fluid Shifts

    NASA Technical Reports Server (NTRS)

    Stenger, M. B.; Hargens, A. R.; Dulchavsky, S. A.; Arbeille, P.; Danielson, R. W.; Ebert, D. J.; Garcia, K. M.; Johnston, S. L.; Laurie, S. S.; Lee, S. M. C.; Liu, J.; Macias, B.; Martin, D. S.; Minkoff, L.; Ploutz-Snyder, R.; Ribeiro, L. C.; Sargsyan, A.; Smith, S. M.

    2017-01-01

    Introduction. NASA's Human Research Program is focused on addressing health risks associated with long-duration missions on the International Space Station (ISS) and future exploration-class missions beyond low Earth orbit. Visual acuity changes observed after short-duration missions were largely transient, but now more than 50 percent of ISS astronauts have experienced more profound, chronic changes with objective structural findings such as optic disc edema, globe flattening and choroidal folds. These structural and functional changes are referred to as the visual impairment and intracranial pressure (VIIP) syndrome. Development of VIIP symptoms may be related to elevated intracranial pressure (ICP) secondary to spaceflight-induced cephalad fluid shifts, but this hypothesis has not been tested. The purpose of this study is to characterize fluid distribution and compartmentalization associated with long-duration spaceflight and to determine if a relation exists with vision changes and other elements of the VIIP syndrome. We also seek to determine whether the magnitude of fluid shifts during spaceflight, as well as any VIIP-related effects of those shifts, are predicted by the crewmember's pre-flight status and responses to acute hemodynamic manipulations, specifically posture changes and lower body negative pressure. Methods. We will examine a variety of physiologic variables in 10 long-duration ISS crewmembers using the test conditions and timeline presented in the figure below. Measures include: (1) fluid compartmentalization (total body water by D2O, extracellular fluid by NaBr, intracellular fluid by calculation, plasma volume by CO rebreathe, interstitial fluid by calculation); (2) forehead/eyelids, tibia, and calcaneus tissue thickness (by ultrasound); (3) vascular dimensions by ultrasound (jugular veins, cerebral and carotid arteries, vertebral arteries and veins, portal vein); (4) vascular dynamics by MRI (head/neck blood flow, cerebrospinal fluid

  14. Calibration models for the vinyl acetate concentration in ethylene-vinyl acetate copolymers and its on-line monitoring by near-infrared spectroscopy and chemometrics: use of band shifts associated with variations in the vinyl acetate concentration to improve the models.

    PubMed

    Watari, Masahiro; Ozaki, Yukihiro

    2005-07-01

    The present study investigates calibration models for the vinyl acetate (VA) concentration in ethylene-vinyl acetate (EVA) copolymers and its on-line monitoring by near-infrared (NIR) spectroscopy and chemometrics. The key point in the present study is to make use of band shifts associated with concentration changes in the vinyl acetate (VA) for the improvement of the models. NIR spectra of EVA in melt and solid states were measured by a Fourier transform near-infrared (FT-NIR) on-line monitoring system and a FT-NIR laboratory system. Some of the bands in the NIR spectra for both states show significant shifts with the variations in the VA concentration. The peak shifts induced by the VA concentration changes are larger in the solid-state EVA than those in the melt-state EVA. We have developed calibration models for the VA concentration in the solid-state EVA and investigated how to improve the calibration models. The factor analysis of partial least squares (PLS) regression has suggested that the wavenumber shifts caused by the VA concentration changes affect the calibration models for the VA concentration in EVA. From the analysis, it has been proposed that the wavenumbers in the spectrum of one sample in nine EVA samples (VA concentration range: 0-41.1%) are shifted for the improvement of the calibration models, and the effects of the proposed method have been confirmed by using the PLS calibration models for the VA concentration in the solid EVA samples. As the next step, the effects of the wavenumber shift method have been explored for the calibration models for the VA concentration in the melt-state EVA. After that, the discrimination method using the score plots of PLS and the application sequence for the on-line monitoring to use the proposed wavenumber shift method were studied. The simulation results using the discrimination and wavenumber shift methods have shown that those methods are very effective to improve the predicted values of the calibration

  15. Assessment of Thematic Mapper Band-to-band Registration by the Block Correlation Method

    NASA Technical Reports Server (NTRS)

    Card, D. H.; Wrigley, R. C.; Mertz, F. C.; Hall, J. R.

    1984-01-01

    The design of the Thematic Mapper (TM) multispectral radiometer makes it susceptible to band-to-band misregistration. To estimate band-to-band misregistration a block correlation method is employed. This method is chosen over other possible techniques (band differencing and flickering) because quantitative results are produced. The method correlates rectangular blocks of pixels from one band against blocks centered on identical pixels from a second band. The block pairs are shifted in pixel increments both vertically and horizontally with respect to each other and the correlation coefficient for each shift position is computed. The displacement corresponding to the maximum correlation is taken as the best estimate of registration error for each block pair. Subpixel shifts are estimated by a bi-quadratic interpolation of the correlation values surrounding the maximum correlation. To obtain statistical summaries for each band combination post processing of the block correlation results performed. The method results in estimates of registration error that are consistent with expectations.

  16. The origin of peculiar molecular bands in cool DQ white dwarfs

    NASA Astrophysics Data System (ADS)

    Kowalski, P. M.

    2010-09-01

    Aims: The DQ white dwarfs are stars whose atmosphere is enriched with carbon, which for cool stars (Teff < 8000 K) is indicated by the Swan bands of C2 in the optical part of their spectra. With decreasing effective temperature these molecular bands undergo a significant blueshift (~100-300 Å). The origin of this phenomenon has been disputed over the last two decades and has remained unknown. We attempt to address this problem by investigating the impact of dense helium on the spectroscopic properties of molecular carbon, the electronic Swan band transition energy Te and the vibrational frequency ωe, under the physical conditions encountered inside helium-rich, fluid-like atmospheres of cool DQ white dwarfs. Methods: In our investigation we use a density functional theory based quantum mechanical approach. Results: The electronic transition energy Te increases monotonically with the helium density (ΔTe (eV)~1.6 ρ (g/cm3)). This causes the Swan absorption to occur at shorter wavelengths compared with unperturbed C2. On the other hand the pressure-induced increase in the vibrational frequency is insufficient to account for the observed Swan bands shifts. Our findings are in line with the shape of the distorted molecular bands observed in DQp stars, but the predicted photospheric density required to reproduce these spectral features is one order of magnitude lower than the one predicted by the current models. This indicates pollution by hydrogen or reflects incomplete knowledge of the properties of fluid-like atmospheres of these stars. Conclusions: Our work shows that at the physical conditions encountered in the fluid-like atmospheres of cool DQ white dwarfs the strong interactions between C2 and helium atoms cause an increase in Te, which should produce a blueward shift of the Swan bands. This is consistent with the observations and indicates that the observed Swan-like molecular bands are most likely the pressure-shifted bands of C2.

  17. Highly efficient 2  μm CW and Q-switched Tm3+:Lu2O3 ceramics lasers in-band pumped by a Raman-shifted erbium fiber laser at 1670  nm.

    PubMed

    Antipov, Oleg; Novikov, Anton; Larin, Sergey; Obronov, Ivan

    2016-05-15

    Highly efficient laser oscillations at 2 μm were investigated in Tm:Lu2O3 ceramics in-band pumped at 1670 nm by a Raman-shifted erbium fiber laser. Both 23 W CW and 15 W active Q-switched oscillations with 40 ns pulse duration and 15-30 kHz repetition rate were achieved in a high-quality beam. The evolution of two generated waves at 1966 and 2064 nm in dependence on pump power was studied.

  18. Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations

    SciTech Connect

    Sarmiento-Pérez, Rafael; Botti, Silvana; Schnohr, Claudia S.; Lauermann, Iver; Rubio, Angel; Johnson, Benjamin

    2014-09-07

    Element-specific unoccupied electronic states of Cu(In, Ga)S{sub 2} were studied as a function of the In/Ga ratio by combining X-ray absorption spectroscopy with density functional theory calculations. The S absorption edge shifts with changing In/Ga ratio as expected from the variation of the band gap. In contrast, the cation edge positions are largely independent of composition despite the changing band gap. This unexpected behavior is well reproduced by our calculations and originates from the dependence of the electronic states on the local atomic environment. The changing band gap arises from a changing spatial average of these localized states with changing alloy composition.

  19. How does the plasmonic enhancement of molecular absorption depend on the energy gap between molecular excitation and plasmon modes: a mixed TDDFT/FDTD investigation.

    PubMed

    Sun, Jin; Li, Guang; Liang, WanZhen

    2015-07-14

    A real-time time-dependent density functional theory coupled with the classical electrodynamics finite difference time domain technique is employed to systematically investigate the optical properties of hybrid systems composed of silver nanoparticles (NPs) and organic adsorbates. The results demonstrate that the molecular absorption spectra throughout the whole energy range can be enhanced by the surface plasmon resonance of Ag NPs; however, the absorption enhancement ratio (AER) for each absorption band differs significantly from the others, leading to the quite different spectral profiles of the hybrid complexes in contrast to those of isolated molecules or sole NPs. Detailed investigations reveal that the AER is sensitive to the energy gap between the molecular excitation and plasmon modes. As anticipated, two separate absorption bands, corresponding to the isolated molecules and sole NPs, have been observed at a large energy gap. When the energy gap approaches zero, the molecular excitation strongly couples with the plasmon mode to form the hybrid exciton band, which possesses the significantly enhanced absorption intensity, a red-shifted peak position, a surprising strongly asymmetric shape of the absorption band, and the nonlinear Fano effect. Furthermore, the dependence of surface localized fields and the scattering response functions (SRFs) on the geometrical parameters of NPs, the NP-molecule separation distance, and the external-field polarizations has also been depicted.

  20. Nonrigid band shift and nonmonotonic electronic structure changes upon doping in the normal state of the pnictide high-temperature superconductor Ba(Fe1-xCox)2As2

    DOE PAGES

    Vilmercati, Paolo; Mo, Sung -Kwan; Fedorov, Alexei; ...

    2016-11-28

    Here, we report systematic angle-resolved photoemission (ARPES) experiments using different photon polarizations and experimental geometries and find that the doping evolution of the normal state of Ba(Fe1–xCox)2As2 deviates significantly from the predictions of a rigid band model. The data reveal a nonmonotonic dependence upon doping of key quantities such as band filling, bandwidth of the electron pocket, and quasiparticle coherence. Our analysis suggests that the observed phenomenology and the inapplicability of the rigid band model in Co-doped Ba122 are due to electronic correlations, and not to the either the strength of the impurity potential, or self-energy effects due to impuritymore » scattering. Our findings indicate that the effects of doping in pnictides are much more complicated than currently believed. More generally, they indicate that a deep understanding of the evolution of the electronic properties of the normal state, which requires an understanding of the doping process, remains elusive even for the 122 iron-pnictides, which are viewed as the least correlated of the high-TC unconventional superconductors.« less

  1. Nonrigid band shift and nonmonotonic electronic structure changes upon doping in the normal state of the pnictide high-temperature superconductor Ba (Fe1-xC ox) 2A s2

    NASA Astrophysics Data System (ADS)

    Vilmercati, Paolo; Mo, Sung-Kwan; Fedorov, Alexei; McGuire, Michael A.; Sefat, Athena; Sales, Brian; Mandrus, David; Singh, David J.; Ku, Wei; Johnston, Steve; Mannella, Norman

    2016-11-01

    We report systematic angle-resolved photoemission (ARPES) experiments using different photon polarizations and experimental geometries and find that the doping evolution of the normal state of Ba (Fe1-xC ox) 2A s2 deviates significantly from the predictions of a rigid band model. The data reveal a nonmonotonic dependence upon doping of key quantities such as band filling, bandwidth of the electron pocket, and quasiparticle coherence. Our analysis suggests that the observed phenomenology and the inapplicability of the rigid band model in Co-doped Ba122 are due to electronic correlations, and not to the either the strength of the impurity potential, or self-energy effects due to impurity scattering. Our findings indicate that the effects of doping in pnictides are much more complicated than currently believed. More generally, they indicate that a deep understanding of the evolution of the electronic properties of the normal state, which requires an understanding of the doping process, remains elusive even for the 122 iron-pnictides, which are viewed as the least correlated of the high-TC unconventional superconductors.

  2. Shifting sugars and shifting paradigms.

    PubMed

    Siegal, Mark L

    2015-02-01

    No organism lives in a constant environment. Based on classical studies in molecular biology, many have viewed microbes as following strict rules for shifting their metabolic activities when prevailing conditions change. For example, students learn that the bacterium Escherichia coli makes proteins for digesting lactose only when lactose is available and glucose, a better sugar, is not. However, recent studies, including three PLOS Biology papers examining sugar utilization in the budding yeast Saccharomyces cerevisiae, show that considerable heterogeneity in response to complex environments exists within and between populations. These results join similar recent results in other organisms that suggest that microbial populations anticipate predictable environmental changes and hedge their bets against unpredictable ones. The classical view therefore represents but one special case in a range of evolutionary adaptations to environmental changes that all organisms face.

  3. Direct optical band gap measurement in polycrystalline semiconductors: A critical look at the Tauc method

    NASA Astrophysics Data System (ADS)

    Dolgonos, Alex; Mason, Thomas O.; Poeppelmeier, Kenneth R.

    2016-08-01

    The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception-and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectra of Sn-doped In2O3 (ITO)-converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein-Moss shift that are consistent with previous studies on In2O3 single crystals and thin films.

  4. Dynamic registration of D216O absorption spectrum in silica aerogel

    NASA Astrophysics Data System (ADS)

    Sinitsa, L.; Lavrentieva, N.; Lugovskoi, A.

    2014-09-01

    Absorption spectra of the gas phase and adsorbed D2О in the silica aerogel with nanoscale pores were investigated in 3700-5400 cm-1 range using dynamic registration with Fourier Transform spectrometer IFS-125M. Two types of sample with pores of 60 nm wide - the nitrogen gas-treated and untreated aerogels - were examined. The surface treatment of the sample changes noticeably the broadband absorption of adsorbed water. Spectrum of D2O in the pores differs from the spectrum of bulk water as for bandwidth so for band maximum. It was found that treatment of the pores by dry nitrogen leads to increasing hydrophilic properties of the material and to change water band contour. The D2О line widths in both the aerogels exceed those of free monomer in 1.1-3 times at the same pressure. Calculations of self-broadening coefficients of the D2O lines were performed using semi-empirical method based on the impact theory of broadening and includes the correction factors. The calculated results well agree with experimental data. Greater differences were found for the shift of the line centre. The D2O line shifts in the treated pores significantly exceed line shifts in the untreated pores. For some lines, these shifts have the opposite sign indicating complex nature of the molecule-wall interaction.

  5. Tunable metamaterial dual-band terahertz absorber

    NASA Astrophysics Data System (ADS)

    Luo, C. Y.; Li, Z. Z.; Guo, Z. H.; Yue, J.; Luo, Q.; Yao, G.; Ji, J.; Rao, Y. K.; Li, R. K.; Li, D.; Wang, H. X.; Yao, J. Q.; Ling, F. R.

    2015-11-01

    We report a design of a temperature controlled tunable dual band terahertz absorber. The compact single unit cell consists of two nested closed square ring resonators and a layer metallic separated by a substrate strontium titanate (STO) dielectric layer. It is found that the absorber has two distinctive absorption peaks at frequencies 0.096 THz and 0.137 THz, whose peaks are attained 97% and 75%. Cooling the absorber from 400 K to 250 K causes about 25% and 27% shift compared to the resonance frequency of room temperature, when we cooling the temperature to 150 K, we could attained both the two tunabilities exceeding 53%. The frequency tunability is owing to the variation of the dielectric constant of the low-temperature co-fired ceramic (LTCC) substrate. The mechanism of the dual band absorber is attributed to the overlapping of dual resonance frequencies, and could be demonstrated by the distributions of the electric field. The method opens up avenues for designing tunable terahertz devices in detection, imaging, and stealth technology.

  6. Compositional dependence of optical band gap and refractive index in lead and bismuth borate glasses

    SciTech Connect

    Mallur, Saisudha B.; Czarnecki, Tyler; Adhikari, Ashish; Babu, Panakkattu K.

    2015-08-15

    Highlights: • Refractive indices increase with increasing PbO/Bi{sub 2}O{sub 3} content. • Optical band gap arises due to direct forbidden transition. • Optical band gaps decrease with increasing PbO/Bi{sub 2}O{sub 3} content. • New empirical relation between the optical band gap and the refractive index. - Abstract: We prepared a series of lead and bismuth borate glasses by varying PbO/Bi{sub 2}O{sub 3} content and studied refractive index and optical band gap as a function of glass composition. Refractive indices were measured very accurately using a Brewster’s angle set up while the optical band gaps were determined by analyzing the optical absorption edge using the Mott–Davis model. Using the Lorentz–Lorentz method and the effective medium theory, we calculated the refractive indices and then compared them with the measured values. Bismuth borate glasses show better agreement between the calculated values of the refractive index and experimental values. We used a differential method based on Mott–Davis model to obtain the type of transition and optical band gap (E{sub opt}) which in turn was compared with the value of E{sub opt} obtained using the extinction coefficient. Our analysis shows that in both lead and bismuth borate glasses, the optical band gap arises due to direct forbidden transition. With increasing PbO/Bi{sub 2}O{sub 3} content, the absorption edge shifts toward longer wavelengths and the optical band gap decreases. This behavior can be explained in terms of changes to the Pb−O/Bi−O chemical bonds with glass composition. We obtained a new empirical relation between the optical band gap and the refractive index which can be used to accurately determine the electronic oxide polarizability in lead and bismuth oxide glasses.

  7. Three-dimensional cloud effects and enhanced atmospheric absorption

    NASA Astrophysics Data System (ADS)

    O'Hirok, William John

    1997-09-01

    absorption bands for overhead sun. Little change in absorption occurs in the visible spectrum. For the sun approaching the horizon, the enhanced absorption spectrally shifts to the near- infrared atmospheric windows, where increases up to 50% are observed. Additionally, the 3-D effect can produce significant overestimates in remotely sensed cloud droplet size distributions and underestimates in remotely sensed cloud optical thickness.

  8. Solvatochromic behavior of the electronic absorption spectra of gallic acid and some of its azo derivatives

    NASA Astrophysics Data System (ADS)

    Masoud, Mamdouh S.; Hagagg, Sawsan S.; Ali, Alaa E.; Nasr, Nessma M.

    The electronic absorption spectra of gallic acid and its azo derivatives have been studied in various solvents of different polarities. Multiple regression techniques were applied to calculate the regression and correlation coefficients based on an equation that relates the wavenumbers of the absorption band maxima (υmax-) to the solvent parameters; refractive index (n), dielectric constant (D), empirical Kamlet-Taft solvent parameters, π*(dipolarity/polarizability), α (solvent hydrogen-bond donor acidity) and β (solvent hydrogen-bond acceptor basicity). The fitting coefficient obtained from this analysis allows estimating the contribution of each type of interactions relative to total spectral shifts in solution. The dependence of υmax- on the solvent parameters indicates that the obtained bands are affected by specific and non-specific solute-solvent interactions.

  9. Effect of Mg and Fe Doping on Optical Absorption of LiNbO3 Crystal through First Principles Calculations

    NASA Astrophysics Data System (ADS)

    Huang, Duo-Hui; Yang, Jun-Sheng; Cao, Qi-Long; Wan, Ming-Jie; Li, Qiang; Sun, Liang; Wang, Fan-Hou

    2014-03-01

    Using first principles calculations, we investigate the structural, optical, and electronic properties of LiNbO3 (LN) and M doped LN (M=Mg, Fe). The density of states are calculated to analyze the effect of doping Mg and Fe ions on the absorption spectra and electronic properties of LN. The results show an ultraviolet shift in the optical absorption edge of Mg-doped LN compared with that of intrinsic LN. On the contrary, the absorption edge of Fe-doped LN crystal reveals a red shift. The optical absorption spectra show an improved optical response in the visible range for Mg-doped LN, which significantly differs from that obtained for Fe-doped LN. The electronic excitations from the valence band to the conduction band of LN leads to an improved optical absorption response in the visible region as observed experimentally. The obvious changes of the doped LN crystal are found in some cases, which provide a helpful guide for preparing doped LN crystal.

  10. Effect of Pressure on Absorption Spectra of Lycopene in n-Hexane and CS2 Solvents

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Liu, Wei-Long; Zheng, Zhi-Ren; Huo, Ming-Ming; Li, Ai-Hua; Yang, Bin

    2010-01-01

    The absorption spectra of lycopene in n-hexane and CS2 are measured under high pressure and the results are compared with β-carotene. In the lower pressure range, the deviation from the linear dependence on the Bayliss parameter (BP) for β-carotene is more visible than that for lycopene. With the further increase of the solvent BP, the 0-0 bands of lycopene and β-carotene red shift at almost the same rate in n-hexane; however, the 0-0 band of lycopene red shifts slower than that of β-carotene in CS2. The origins of these diversities are discussed taking into account the dispersion interactions and structures of solute and solvent molecules.

  11. The Mid-Infrared Absorption Spectra of Neutral PAHs in Dense Interstellar Clouds

    NASA Technical Reports Server (NTRS)

    Bernstein, M. P.; Sandford, S. A.; Allamandola, L. J.

    2005-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe and are expected to be present in dense interstellar clouds. In these environments, some P.4Hs may be present in the gas phase, but most should be frozen into ice mantles or adsorbed onto dust grains and their spectral features are expected to be seen in absorption. Here we extend our previous work on the infrared spectral properties of the small PAH naphthalene (C10H8) in several media to include the full mid-infrared laboratory spectra of 11 other PAHs and related aromatic species frozen in H2O ices. These include the molecules 1,2-dihydronaphthalene, anthracene, 9,1O-dihydroanthracene, phenanthrene, pyrene, benzo[e]pyrene, perylene, benzo(k)fluoranthene, pentacene, benzo[ghi]perylene, and coronene. These results demonstrate that PAHs and related molecules, as a class, show the same spectral behaviors as naphthalene when incorporated into H2O-rich matrices. When compared to the spectra of these same molecules isolated in inert matrices (e.g., Ar or N2), the absorption bands produced when they are frozen in H2O matrices are broader (factors of 3-10), show small position shifts in either direction (usually < 4/cm, always < 10/cm), and show variable changes in relative band strengths (typically factors of 1-3). There is no evidence of systematic increases or decreases in the absolute strengths of the bands of these molecules when they are incorporated in H2O matrices. In H2O-rich ices, their absorption bands are relatively insensitive to concentration over the range of 10 < H2O/PAH < 200): The absorption bands of these molecules are also insensitive to temperature over the 10 K < T < 125 K range, although the spectra can show dramatic changes as the ices are warmed through the temperature range in which amorphous H2O ice converts to its cubic and hexagonal crystalline forms (T > 125 Kj. Given the small observed band shifts cause by H2O, the current database of spectra from Ar matrix

  12. Band anticrossing in dilute nitrides

    SciTech Connect

    Shan, W.; Yu, K.M.; Walukiewicz, W.; Wu, J.; Ager III, J.W.; Haller, E.E.

    2003-12-23

    Alloying III-V compounds with small amounts of nitrogen leads to dramatic reduction of the fundamental band-gap energy in the resulting dilute nitride alloys. The effect originates from an anti-crossing interaction between the extended conduction-band states and localized N states. The interaction splits the conduction band into two nonparabolic subbands. The downward shift of the lower conduction subband edge is responsible for the N-induced reduction of the fundamental band-gap energy. The changes in the conduction band structure result in significant increase in electron effective mass and decrease in the electron mobility, and lead to a large enhance of the maximum doping level in GaInNAs doped with group VI donors. In addition, a striking asymmetry in the electrical activation of group IV and group VI donors can be attributed to mutual passivation process through formation of the nearest neighbor group-IV donor nitrogen pairs.

  13. Electronic- and band-structure evolution in low-doped (Ga,Mn)As

    SciTech Connect

    Yastrubchak, O.; Gluba, L.; Żuk, J.; Sadowski, J.; Krzyżanowska, H.; Domagala, J. Z.; Andrearczyk, T.; Wosinski, T.

    2013-08-07

    Modulation photoreflectance spectroscopy and Raman spectroscopy have been applied to study the electronic- and band-structure evolution in (Ga,Mn)As epitaxial layers with increasing Mn doping in the range of low Mn content, up to 1.2%. Structural and magnetic properties of the layers were characterized with high-resolution X-ray diffractometry and SQUID magnetometery, respectively. The revealed results of decrease in the band-gap-transition energy with increasing Mn content in very low-doped (Ga,Mn)As layers with n-type conductivity are interpreted as a result of merging the Mn-related impurity band with the host GaAs valence band. On the other hand, an increase in the band-gap-transition energy with increasing Mn content in (Ga,Mn)As layers with higher Mn content and p-type conductivity indicates the Moss-Burstein shift of the absorption edge due to the Fermi level location within the valence band, determined by the free-hole concentration. The experimental results are consistent with the valence-band origin of mobile holes mediating ferromagnetic ordering in the (Ga,Mn)As diluted ferromagnetic semiconductor.

  14. Optical Absorption Spectra of Hydrous Wadsleyite to 32 GPa

    NASA Astrophysics Data System (ADS)

    Thomas, S.; Goncharov, A. F.; Jacobsen, S. D.; Bina, C. R.; Frost, D. J.

    2009-05-01

    Optical absorption spectra of high-pressure minerals can be used as indirect tools to calculate radiative conductivity of the Earth's interior [e.g., 1]. Recent high-pressure studies show that e.g. ringwoodite, γ-(Mg,Fe)2SiO4, does not become opaque in the near infrared and visible region, as previously assumed, but remains transparent to 21.5 GPa [2]. Therefore, it has been concluded that radiative heat transfer does not necessarily become blocked at high pressures of the mantle and ferromagnesian minerals actually could contribute to the heat flow in the Earth's interior [2]. In this study we use gem-quality single-crystals of hydrous Fe-bearing wadsleyite, β-(Mg,Fe)2SiO4, that were synthesized at 18 GPa and 1400 °C in a multianvil apparatus. Crystals were analyzed by Mössbauer and Raman spectroscopy, electron microprobe analysis and single-crystal X-ray diffraction. For absorption measurements a double-polished 50 μm sized single-crystal of wadsleyite was loaded in a diamond-anvil cell with neon as pressure medium. Optical absorption spectra were recorded at ambient conditions as well as up to 32 GPa from 400 to 50000 cm-1. At ambient pressure the absorption spectrum reveals two broad bands at - 10000 cm-1 and -15000 cm-1, and an absorption edge in the visible-ultraviolet range. With increasing pressure the absorption spectrum changes, both bands continuously shift to higher frequencies as has been observed for ringwoodite [2], but is contrary to earlier presumptions for wadsleyite [3]. Here, we will discuss band assignment along with the influence of iron, compare our results to previous absorption studies of mantle materials [2], and analyze possible implications for radiative conductivity of the transition zone. References: [1] Goncharov et al. (2008), McGraw Yearbook Sci. Tech., 242-245. [2] Keppler & Smyth (2005), Am. Mineral., 90 1209-1212. [3] Ross (1997), Phys. Chem. Earth, 22 113-118.

  15. Semiconducting ferroelectric perovskites with intermediate bands via B-site Bi5+ doping

    NASA Astrophysics Data System (ADS)

    Jiang, Lai; Grinberg, Ilya; Wang, Fenggong; Young, Steve M.; Davies, Peter K.; Rappe, Andrew M.

    2014-08-01

    We propose B-site Bi5+-doped ferroelectric perovskite materials as suitable candidates for the bulk photovoltaic effect and related solar applications. The low-lying 6s empty states of the electronegative Bi atom produce empty bands in the energy gap of the parent materials, effectively lowering the band gap by 1-2 eV, depending on the composition of the ferroelectric end member and the concentration of Bi5+ in the solid solution. The polarization decreases but survives upon doping, which enables the "shift-current" mechanism for photocurrent generation, while the decreased band gap allows absorption of much of the visible spectrum. The magnitude of shift-current response is calculated for 0.75Pb2InNbO6-0.25Ba2InBiO6 (PIN-BIB) and 0.75Pb2ScNbO6-0.25Ba2ScNbO6 (PSN-BSB) and is predicted to exceed the visible-light bulk photovoltaic response of all previously reported materials, including BiFeO3. Furthermore, the existence of their intermediate bands and multiple band gaps, combined with Fermi-level tuning by A-site co-doping, also allows for their potential application in traditional p -n junction-based solar cells as broad-spectrum photoabsorbers.

  16. Dynamic registration of the absorption spectrum of water in the SiO(2) nanopores in high-frequency range.

    PubMed

    Sinitsa, L N; Lugovskoy, A A

    2010-11-28

    The high-frequency region was used to record the absorption spectrum of water in nanoscale pores during vacuum pumping or injection of water. The wide spectral range, which included the vibration overtones, allowed to resolve the structure of the absorption bands with variation of water concentration in the pores of SiO(2). The absorption bands of water clusters in the 4570-5400 cm(-1) range consist of well-resolved sub-bands with interpeak intervals of up to 580 cm(-1). When the pore diameter is decreased from 11.8 to 2.6 nm, the absorption bands of clusters in this frequency range are shifted by 530 cm(-1) in the direction of the water monomer which indicates an increase of hydrogen bond strength in confined water with an increase of the pore diameter. The spectrum recorded during water pumping is extremely variable in time, and the cluster dynamics in large pores (11.8 nm) differs greatly from the dynamics in small pores (2.6 nm). While all types of water clusters are removed from small pores uniformly, in the case of large pores, the water clusters relating to strong hydrogen bonds are removed from the sample at the beginning of the vacuum pumping and the loosely coupled clusters are removed later. The rate of this process is not steady and varies throughout pumping.

  17. The role of tautomers in the UV absorption of urocanic acid.

    PubMed

    Barbatti, Mario

    2011-03-14

    Tautomeric effects in the UV-absorption of trans-urocanic acid in the gas phase are investigated by means of quantum chemical calculations of sixteen tautomers at different levels, followed by absorption cross section simulations. It is shown that several trans tautomers give significant contributions to the total spectrum and that cis tautomers should not contribute to the spectrum at room temperature. The spectra of tautomers protonated at the N1 site of the imidazole ring are strongly red shifted in comparison to the spectra of tautomers protonated at the N3 site. As a consequence, excitation of the first absorption band at different wavelengths produces very different tautomeric populations. This effect helps to explain specific features observed in dispersion emission spectroscopy as well as the anomalous photophysics of urocanic acid.

  18. UV absorption spectrum of the C2 Criegee intermediate CH3CHOO.

    PubMed

    Smith, Mica C; Ting, Wei-Lun; Chang, Chun-Hung; Takahashi, Kaito; Boering, Kristie A; Lin, Jim Jr-Min

    2014-08-21

    The UV spectrum of CH3CHOO was measured by transient absorption in a flow cell at 295 K. The absolute absorption cross sections of CH3CHOO were measured by laser depletion in a molecular beam to be (1.06 ± 0.09) × 10(-17) cm(2) molecule(-1) at 308 nm and (9.7 ± 0.6) × 10(-18) cm(2) molecule(-1) at 352 nm. After scaling the UV spectrum of CH3CHOO to the absolute cross section at 308 nm, the peak UV cross section is (1.27 ± 0.11) × 10(-17) cm(2) molecule(-1) at 328 nm. Compared to the simplest Criegee intermediate CH2OO, the UV absorption band of CH3CHOO is similar in intensity but blue shifted by 14 nm, resulting in a 20% slower photolysis rate estimated for CH3CHOO in the atmosphere.

  19. UV absorption spectrum of the C2 Criegee intermediate CH3CHOO

    NASA Astrophysics Data System (ADS)

    Smith, Mica C.; Ting, Wei-Lun; Chang, Chun-Hung; Takahashi, Kaito; Boering, Kristie A.; Lin, Jim-Min, Jr.

    2014-08-01

    The UV spectrum of CH3CHOO was measured by transient absorption in a flow cell at 295 K. The absolute absorption cross sections of CH3CHOO were measured by laser depletion in a molecular beam to be (1.06 ± 0.09) × 10-17 cm2 molecule-1 at 308 nm and (9.7 ± 0.6) × 10-18 cm2 molecule-1 at 352 nm. After scaling the UV spectrum of CH3CHOO to the absolute cross section at 308 nm, the peak UV cross section is (1.27 ± 0.11) × 10-17 cm2 molecule-1 at 328 nm. Compared to the simplest Criegee intermediate CH2OO, the UV absorption band of CH3CHOO is similar in intensity but blue shifted by 14 nm, resulting in a 20% slower photolysis rate estimated for CH3CHOO in the atmosphere.

  20. ULTRAVIOLET ABSORPTION SPECTRUM OF NITROUS OXIDE AS FUNCTION OF TEMPERATURE AND ISOTOPIC SUBSTITUTION

    SciTech Connect

    Selwyn, G.S.; Johnston, H.S.

    1980-07-01

    The ultraviolet absorption spectra of nitrous oxide and its {sup 15}N isotopes over the wavelength range 197 to 172 nm and between 150 and 500 K show a weak continuous absorption and a pattern of diffuse banding that became pronounced at higher temperatures. The temperature dependence of the absorption spectrum results from the activation of the n{sub 2}{double_prime} bending mode. Deconvolution of the data shows that absorption by molecules in the (010) vibrational mode results in a spectrum of vibrational bands superimposed on a continuum. A weaker and nearly continuous spectrum results from the ultraviolet absorption by molecules in the (000) vibrational mode. Analysis of the structuring indicates n{sub 2}{double_prime} = (490 {+-} 10) cm{sup -1}. No rotational structure can be observed. Measurement of the n{sub 2}{double_prime} isotope shift is used to identify the quantum number of the upper state vibrational levels. Normal coordinate analysis of the excited state is used to determine a self-consistent set of molecular parameters: bond angle (115{sup o}), the values of n{sub 1}{prime} and n{sub 3}{prime} (1372 and 1761 cm{sup -1}, respectively), and the force constants of the upper state. It is suggested that the transitions observed are {sup 1}S{sup -}({sup 1}A{sup -}) {l_arrow} X- {sup 1}{sup +} and {sup 1}D {l_arrow} {tilde X} {sup 1}S{sup +}.

  1. Ultraviolet absorption spectrum of HOCl

    NASA Technical Reports Server (NTRS)

    Burkholder, James B.

    1993-01-01

    The room temperature UV absorption spectrum of HOCl was measured over the wavelength range 200 to 380 nm with a diode array spectrometer. The absorption spectrum was identified from UV absorption spectra recorded following UV photolysis of equilibrium mixtures of Cl2O/H2O/HOCl. The HOCl spectrum is continuous with a maximum at 242 nm and a secondary peak at 304 nm. The measured absorption cross section at 242 nm was (2.1 +/- 0.3) x 10 exp -19/sq cm (2 sigma error limits). These results are in excellent agreement with the work of Knauth et al. (1979) but in poor agreement with the more recent measurements of Mishalanie et al. (1986) and Permien et al. (1988). An HOCl nu2 infrared band intensity of 230 +/- 35/sq cm atm was determined based on this UV absorption cross section. The present results are compared with these previous measurements and the discrepancies are discussed.

  2. Optical absorption of silicon nanowires

    SciTech Connect

    Xu, T.; Lambert, Y.; Krzeminski, C.; Grandidier, B.; Stievenard, D.; Leveque, G.; Akjouj, A.; Pennec, Y.; Djafari-Rouhani, B.

    2012-08-01

    We report on simulations and measurements of the optical absorption of silicon nanowires (NWs) versus their diameter. We first address the simulation of the optical absorption based on two different theoretical methods: the first one, based on the Green function formalism, is useful to calculate the scattering and absorption properties of a single or a finite set of NWs. The second one, based on the finite difference time domain (FDTD) method, is well-adapted to deal with a periodic set of NWs. In both cases, an increase of the onset energy for the absorption is found with increasing diameter. Such effect is experimentally illustrated, when photoconductivity measurements are performed on single tapered Si nanowires connected between a set of several electrodes. An increase of the nanowire diameter reveals a spectral shift of the photocurrent intensity peak towards lower photon energies that allow to tune the absorption onset from the ultraviolet radiations to the visible light spectrum.

  3. Transition Energies and Absorption Oscillator Strengths for {{c}_{4}}^{\\prime 1}{{{\\rm{\\Sigma }}}_{u}}^{+}-{{\\rm{X}}}^{1}{{{\\rm{\\Sigma }}}_{g}}^{+}, {b}^{\\prime 1}{{{\\rm{\\Sigma }}}_{u}}^{+}-{{\\rm{X}}}^{1}{{{\\rm{\\Sigma }}}_{g}}^{+}, and {{c}_{5}}^{\\prime 1}{{{\\rm{\\Sigma }}}_{u}}^{+}-{{\\rm{X}}}^{1}{{{\\rm{\\Sigma }}}_{g}}^{+} Band Systems in N2

    NASA Astrophysics Data System (ADS)

    Lavín, C.; Velasco, A. M.

    2017-04-01

    Theoretical transition energies and absorption oscillator strengths for the {{c}4}\\prime 1{{{{Σ }}}u}+ (v‧ = 0–2, 5, 7, 8) ‑ {{{X}}}1{{{{Σ }}}g}+(v\\prime\\prime =0{--}14) and {{c}5}\\prime 1{{{{Σ }}}u}+ (v‧ = 0, 2) ‑ {{{X}}}1{{{{Σ }}}g}+ (v″ = 0–14) Rydberg bands, and {b}\\prime 1{{{{Σ }}}u}+ (v‧ = 0–9, 11, 12, 14–19, 21, 22) ‑ {{{X}}}1{{{{Σ }}}g}+ (v″ = 0–14) valence bands of molecular nitrogen are reported. The strong interaction between {}1{{{{Σ }}}u}+ states has been dealt with through a vibronic interaction matrix. As a consequence of the Rydberg-valence interaction, irregularities in the vibrational structure of the above band systems are observed. Good agreement is found with the scarce high-resolution data that are available for oscillator strengths. The new band oscillator strengths reported here may be useful for a reliable interpretation of the spectra from atmospheres of the Earth, Titan, and Triton, where {{{N}}}2 is the mayor constituent.

  4. Band gap enhancement of glancing angle deposited TiO{sub 2} nanowire array

    SciTech Connect

    Chinnamuthu, P.; Mondal, A.; Singh, N. K.; Dhar, J. C.; Chattopadhyay, K. K.; Bhattacharya, Sekhar

    2012-09-01

    Vertically oriented TiO{sub 2} nanowire (NW) arrays were fabricated by glancing angle deposition technique. Field emission-scanning electron microscopy shows the formation of two different diameters {approx}80 nm and {approx}40 nm TiO{sub 2} NW for 120 and 460 rpm azimuthal rotation of the substrate. The x-ray diffraction and Raman scattering depicted the presence of rutile and anatase phase TiO{sub 2}. The overall Raman scattering intensity decreased with nanowire diameter. The role of phonon confinement in anatase and rutile peaks has been discussed. The red (7.9 cm{sup -1} of anatase E{sub g}) and blue (7.4 cm{sup -1} of rutile E{sub g}, 7.8 cm{sup -1} of rutile A{sub 1g}) shifts of Raman frequencies were observed. UV-vis absorption measurements show the main band absorption at 3.42 eV, 3.48 eV, and {approx}3.51 eV for thin film and NW prepared at 120 and 460 rpm, respectively. Three fold enhance photon absorption and intense light emission were observed for NW assembly. The photoluminescence emission from the NW assembly revealed blue shift in main band transition due to quantum confinement in NW structures.

  5. Effects of core position of locally resonant scatterers on low-frequency acoustic absorption in viscoelastic panel

    NASA Astrophysics Data System (ADS)

    Zhong, Jie; Wen, Ji-Hong; Zhao, Hong-Gang; Yin, Jian-Fei; Yang, Hai-Bin

    2015-08-01

    Locally resonant sonic materials, due to their ability to control the propagation of low-frequency elastic waves, have become a promising option for underwater sound absorption materials. In this paper, the finite element method is used to investigate the absorption characteristics of a viscoelastic panel periodically embedded with a type of infinite-long non-coaxially cylindrical locally resonant scatterers (LRSs). The effect of the core position in the coating layer of the LRS on the low-frequency (500 Hz-3000 Hz) sound absorption property is investigated. With increasing the longitudinal core eccentricity e, there occur few changes in the absorptance at the frequencies below 1500 Hz, however, the absorptance above 1500 Hz becomes gradually better and the valid absorption (with absorptance above 0.8) frequency band (VAFB) of the viscoelastic panel becomes accordingly broader. The absorption mechanism is revealed by using the displacement field maps of the viscoelastic panel and the steel slab. The results show two typical resonance modes. One is the overall resonance mode (ORM) caused by steel backing, and the other is the core resonance mode (CRM) caused by LRS. The absorptance of the viscoelastic panel by ORM is induced mainly by the vibration of the steel slab and affected little by core position. On the contrary, with increasing the core eccentricity, the CRM shifts toward high frequency band and decouples with the ORM, leading to two separate absorption peaks and the broadened VAFB of the panel. Project supported by the National Natural Science Foundation of China (Grant No. 51275519).

  6. A new special pair model comprising meso-di-p-anisylaminoporphyrin: enhancement of visible-light absorptivities and quantification of electronic communication in mixed-valent cation radical.

    PubMed

    Sakamoto, Ryota; Nishikawa, Michihiro; Yamamura, Takeshi; Kume, Shoko; Nishihara, Hiroshi

    2010-03-28

    Slipped cofacial porphyrin dimer 1(2) with di-p-anisylamino groups on the meso-positions shows characteristic photo- and electroproperties making it suitable as a photosynthetic special pair model: more intense and red-shifted absorptivities in the visible region, and electronic communication between the two porphyrins in mixed-valent cation radical 1(2)(+), which is quantified with an IVCT band analysis.

  7. Transient absorption studies of vibrational relaxation and photophysics of Prussian blue and ruthenium purple nanoparticles

    NASA Astrophysics Data System (ADS)

    Weidinger, D.; Brown, D. J.; Owrutsky, J. C.

    2011-03-01

    Transient infrared and visible absorption studies have been used to characterize vibrational and electronic dynamics of Prussian blue (PB) and ruthenium purple (RP) nanoparticles produced and characterized in AOT reverse micelles. Studies include excitation and probing with both infrared (near 2000 cm-1) and visible (800 nm) pulses. From IR pump-IR probe measurements of the CN stretching bands, vibrational population lifetimes are determined to be 32 ± 4 ps for PB and 44 ± 14 ps for RP. These times are longer than those for ferrocyanide (4 ps) and ruthenocyanide (4 ps) in normal water and are closer to the times for these species in heavy water (25-30 ps) and for ferrocyanide in formamide (43 ps). The PB and RP lifetimes are also longer than those (<15 ps) previously measured for CN stretching bands following intervalence excitation and back-electron transfer (BET) for dinuclear mixed-valence compounds containing Fe, Ru, and Os in heavy water and formamide [A. V. Tivansky, C. F. Wang, and G. C. Walker, J. Phys. Chem. A 107, 9051 (2003)]. In 800 nm pump-IR probe experiments on RP and PB, transient IR spectra and decay curves are similar to those with IR excitation; a ground state bleach and a red shifted (by ˜40 cm-1) excited state decay are observed. These results for the visible pumping are consistent with rapid (<1 ps) BET resulting in population in the ground electronic state with vibrational excitation in the CN mode. In addition, transient absorption studies were performed for PB and RP probing with visible light using both visible and IR excitation. The early time response for the 800 nm pump-800 nm probe of PB exhibits an instrument-limited, subpicosecond bleach followed by an absorption, which is consistent with the previously reported results [D. C. Arnett, P. Vohringer, and N. F. Scherer, J. Am. Chem. Soc. 117, 12262 (1995)]. The absorption exhibits a biexponential decay with decay times of 9 and 185 ps, which could have been attributed to the CN band

  8. Absorption of CO laser radiation by NO

    NASA Technical Reports Server (NTRS)

    Hanson, R. K.; Monat, J. P.; Kruger, C. H.

    1976-01-01

    The paper describes absorption calculations and measurements at selected infrared CO laser wavelengths which are nearly coincident with absorption lines in the fundamental vibration-rotation band of NO near 5.3 microns. Initial work was directed towards establishing the optimal CO laser-NO absorption line coincidence for high temperature applications. Measurements of the absorption coefficient at this optimal laser wavelength were carried out, first using a room-temperature absorption cell for high-temperature calculations and then using a shock tube, for the temperature range 630-4000 K, to validate the high temperature calculations.

  9. Satellite retrieval of the absorption coefficient of phytoplankton phycoerythrin pigment: theory and feasibility status.

    PubMed

    Hoge, F E; Wright, C W; Lyon, P E; Swift, R N; Yungel, J K

    1999-12-20

    Oceanic radiance model inversion methods are used to develop a comprehensive algorithm for retrieval of the absorption coefficients of phycourobilin (PUB) pigment, type I phycoerythrobilin (PEB) pigment rich in PUB, and type II PEB deficient in PUB pigment (together with the usual "big three" inherent optical properties: the total backscattering coefficient and the absorption coefficients of chromophoric dissolved organic matter (CDOM)-detritus and phytoplankton). This fully modeled inversion algorithm is then simplified to yield a hybrid modeled-unmodeled inversion algorithm in which the phycoerythrin (PE) absorption coefficient is retrieved as unmodeled 488-nm absorption (which exceeds the modeled phytoplankton and the CDOM-detritus absorption coefficients). Each algorithm was applied to water-leaving radiances, but only hybrid modeled-unmodeled inversions yielded viable retrievals of the PE absorption coefficient. Validation of the PE absorption coefficient retrieval was achieved by relative comparison with airborne laser-induced PEB fluorescence. The modeled-unmodeled retrieval of four inherent optical properties by direct matrix inversion is rapid and well conditioned, but the accuracy is strongly limited by the accuracy of the three principal inherent optical property models across all four spectral bands. Several research areas are identified to enhance the radiance-model-based retrievals: (a) improved PEB and PUB absorption coefficient models, (b) PE spectral shifts induced by PUB chromophore substitution at chromophore binding sites, (c) specific absorption-sensitive phytoplankton absorption modeling, (d) total constituent backscattering modeling, (e) unmodeled carotinoid and phycocyanin absorption that are not now accounted for in the chlorophyll-dominated phytoplankton absorption coefficient model, and (f) iterative inversion techniques to solve for six constituents with only five radiances. Although considerable progress has been made toward the

  10. Laparoscopic gastric banding

    MedlinePlus

    ... adjustable gastric banding; Bariatric surgery - laparoscopic gastric banding; Obesity - gastric banding; Weight loss - gastric banding ... gastric banding is not a "quick fix" for obesity. It will greatly change your lifestyle. You must ...

  11. Two-Photon Absorption Spectrum of a Single Crystal Cyanine-like Dye.

    PubMed

    Hu, Honghua; Fishman, Dmitry A; Gerasov, Andrey O; Przhonska, Olga V; Webster, Scott; Padilha, Lazaro A; Peceli, Davorin; Shandura, Mykola; Kovtun, Yuriy P; Kachkovski, Alexey D; Nayyar, Iffat H; Masunov, Artëm E; Tongwa, Paul; Timofeeva, Tatiana V; Hagan, David J; Van Stryland, Eric W

    2012-05-03

    The two-photon absorption (2PA) spectrum of an organic single crystal is reported. The crystal is grown by self-nucleation of a subsaturated hot solution of acetonitrile, and is composed of an asymmetrical donor-π-acceptor cyanine-like dye molecule. To our knowledge, this is the first report of the 2PA spectrum of single crystals made from a cyanine-like dye. The linear and nonlinear properties of the single crystalline material are investigated and compared with the molecular properties of a toluene solution of its monomeric form. The maximum polarization-dependent 2PA coefficient of the single crystal is 52 ± 9 cm/GW, which is more than twice as large as that for the inorganic semiconductor CdTe with a similar absorption edge. The optical properties, linear and nonlinear, are strongly dependent upon incident polarization due to anisotropic molecular packing. X-ray diffraction analysis shows π-stacking dimers formation in the crystal, similar to H-aggregates. Quantum chemical calculations demonstrate that this dimerization leads to the splitting of the energy bands and the appearance of new red-shifted 2PA bands when compared to the solution of monomers. This trend is opposite to the blue shift in the linear absorption spectra upon H-aggregation.

  12. Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO.

    PubMed

    Huang, Yu-Hsuan; Nishimura, Yoshifumi; Witek, Henryk A; Lee, Yuan-Pern

    2016-07-28

    We report a transient infrared (IR) absorption spectrum of the simplest deuterated Criegee intermediate CD2OO recorded using a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. CD2OO was produced from photolysis of flowing mixtures of CD2I2, N2, and O2 (13 or 87 Torr) with laser light at 308 nm. The recorded spectrum shows close structural similarity with the spectrum of CH2OO reported previously [Y.-T. Su et al., Science 340, 174 (2013)]. The four bands observed at 852, 1017, 1054, and 1318 cm(-1) are assigned to the OO stretching mode, two distinct in-plane OCD bending modes, and the CO stretching mode of CD2OO, respectively, according to vibrational wavenumbers, IR intensities, rotational contours, and deuterium-isotopic shifts predicted with extensive quantum-chemical calculations. The CO-stretching mode of CD2OO at 1318 cm(-1) is blue shifted from the corresponding band of CH2OO at 1286 cm(-1); this can be explained by a mechanism based on mode mixing and isotope substitution. A band near 936 cm(-1), observed only at higher pressure (87 Torr), is tentatively assigned to the CD2 wagging mode of CD2IOO.

  13. Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO

    NASA Astrophysics Data System (ADS)

    Huang, Yu-Hsuan; Nishimura, Yoshifumi; Witek, Henryk A.; Lee, Yuan-Pern

    2016-07-01

    We report a transient infrared (IR) absorption spectrum of the simplest deuterated Criegee intermediate CD2OO recorded using a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. CD2OO was produced from photolysis of flowing mixtures of CD2I2, N2, and O2 (13 or 87 Torr) with laser light at 308 nm. The recorded spectrum shows close structural similarity with the spectrum of CH2OO reported previously [Y.-T. Su et al., Science 340, 174 (2013)]. The four bands observed at 852, 1017, 1054, and 1318 cm-1 are assigned to the OO stretching mode, two distinct in-plane OCD bending modes, and the CO stretching mode of CD2OO, respectively, according to vibrational wavenumbers, IR intensities, rotational contours, and deuterium-isotopic shifts predicted with extensive quantum-chemical calculations. The CO-stretching mode of CD2OO at 1318 cm-1 is blue shifted from the corresponding band of CH2OO at 1286 cm-1; this can be explained by a mechanism based on mode mixing and isotope substitution. A band near 936 cm-1, observed only at higher pressure (87 Torr), is tentatively assigned to the CD2 wagging mode of CD2IOO.

  14. PERITONEAL ABSORPTION

    PubMed Central

    Hahn, P. F.; Miller, L. L.; Robscheit-Robbins, F. S.; Bale, W. F.; Whipple, G. H.

    1944-01-01

    The absorption of red cells from the normal peritoneum of the dog can be demonstrated by means of red cells labeled with radio-iron incorporated in the hemoglobin of these red cells. Absorption in normal dogs runs from 20 to 100 per cent of the amount given within 24 hours. Dogs rendered anemic by bleeding absorb red cells a little less rapidly—ranging from 5 to 80 per cent of the injected red cells. Doubly depleted dogs (anemic and hypoproteinemic) absorb even less in the three experiments recorded. This peritoneal absorption varies widely in different dogs and even in the same dog at different times. We do not know the factors responsible for these variations but there is no question about active peritoneal absorption. The intact red cells pass readily from the peritoneal cavity into lymph spaces in diaphragm and other areas of the peritoneum. The red cells move along the lymphatics and through the lymph glands with little or no phagocytosis and eventually into the large veins through the thoracic ducts. PMID:19871404

  15. Nutrient absorption.

    PubMed

    Rubin, Deborah C

    2004-03-01

    Our understanding of nutrient absorption continues to grow, from the development of unique animal models and from studies in which cutting-edge molecular and cellular biologic approaches have been used to analyze the structure and function of relevant molecules. Studies of the molecular genetics of inherited disorders have also provided many new insights into these processes. A major advance in lipid absorption has been the cloning and characterization of several intestinal acyl CoA:monoacylglycerol acyltransferases; these may provide new targets for antiobesity drug therapy. Studies of intestinal cholesterol absorption and reverse cholesterol transport have encouraged the development of novel potential treatments for hyperlipidemia. Observations in genetically modified mice and in humans with mutations in glucose transporter 2 suggest the importance of a separate microsomal membrane transport pathway for glucose transport. The study of iron metabolism has advanced greatly with the identification of the hemochromatosis gene and the continued examination of the genetic regulation of iron absorptive pathways. Several human thiamine transporters have been identified, and their specific roles in different tissues are being explored.

  16. Infrared laser absorption spectroscopy of the nu4 (sigma u) fundamental and associated nu11(pi u) hot band of C7 - Evidence for alternating rigidity in linear carbon clusters

    NASA Technical Reports Server (NTRS)

    Heath, J. R.; Saykally, R. J.

    1991-01-01

    The first characterization of the bending potential of the C7 cluster is reported via the observation of the v = 1(1) and v = 2 deg levels of the nu11 (pi u) bend as hot bands associated with the nu4 (sigma u) antisymmetric stretch fundamental. The lower state hot band rotational constants are measured to be 1004.4(1.3) and 1123.6(9.0) MHz, constituting a 9.3 and 22 percent increase over the ground state rotational constant, 918.89 (41) MHz. These large increases are strong quartic and sextic centrifugal distortion constants determined for the ground and nu 4 = 1 states are found to be anomalously large and negative, evidencing strong perturbations between stretching and bending modes.

  17. Giant many-body effects in liquid ammonia absorption spectrum.

    PubMed

    Ziaei, Vafa; Bredow, Thomas

    2016-11-07

    In the present work, we accurately calculate the absorption spectrum of liquid ammonia up to 13 eV using many-body perturbation approach. The electronic bandgap of liquid NH3 is perfectly described as the combination of density functional theory, Coulomb-hole screened exchange, and G0W0 approximation to the electronic self-energy, yielding a direct gap (Γ → Γ) of 7.71 eV, fully consistent with the experimentally measured gap from photo-emission spectroscopy. With respect to the NH3 optical properties, the entire spectrum in particular the low lying first absorption band is extremely affected by electron-hole interactions, leading to a fundamental redistribution of spectral weights of the independent-particle spectrum. Three well separated but broad main peaks are identified at 7.0, 9.8, and 11.8 eV with steadily increasing intensities in excellent agreement with the experimental data. Furthermore, we observe a giant net blue-shift of the first absorption peak of about 1.4 eV from gaseous to liquid phase as the direct consequence of many-body effects, allowing the associated liquid ammonia absorption band exciton to delocalize and feel more effectively the repulsion effects imposed by the surrounding solvent shells. Further, the spectrum is insensitive to the coupling of resonant and anti-resonant contributions. Concerning electronic response structure of liquid NH3, it is most sensitive to excitations at energies lower than its electronic gap.

  18. Optical band gap tuning of Sb-Se thin films for xerographic based applications

    NASA Astrophysics Data System (ADS)

    Kaur, Ramandeep; Singh, Palwinder; Singh, Kulwinder; Kumar, Akshay; Thakur, Anup

    2016-10-01

    In the present paper we have studied the effect of Sb addition on the optical band gap tuning of thermally evaporated SbxSe100-x (x = 0, 5, 20, 50 and 60) thin films. The structural investigations revealed that all thin films were amorphous in nature. Transmission spectrum was taken in the range 400-2500 nm shows that all films are highly transparent in the near infrared region. The fundamental absorption edge shifts towards longer wavelength with Sb incorporation. The optical band gap decreases with addition of antimony in a-Se thin films. A good correlation has been drawn between experimentally estimated and theoretically calculated optical band gap. The decrease in optical band gap of thin films has been explained using chemical bond approach and density of states model. Decrease in optical band gap with Sb addition increases the concentration of electron deep traps which increases the X-ray sensitivity of Sb-Se thin films. Thus by tuning the optical band gap of Sb-Se alloy, it could be utilized for xerographic based applications.

  19. Modifying the band gap and optical properties of Germanium nanowires by surface termination

    NASA Astrophysics Data System (ADS)

    Legesse, Merid; Fagas, Giorgos; Nolan, Michael

    2017-02-01

    Semiconductor nanowires, based on silicon (Si) or germanium (Ge) are leading candidates for many ICT applications, including next generation transistors, optoelectronics, gas and biosensing and photovoltaics. Key to these applications is the possibility to tune the band gap by changing the diameter of the nanowire. Ge nanowires of different diameter have been studied with H termination, but, using ideas from chemistry, changing the surface terminating group can be used to modulate the band gap. In this paper we apply the generalised gradient approximation of density functional theory (GGA-DFT) and hybrid DFT to study the effect of diameter and surface termination using -H, -NH2 and -OH groups on the band gap of (001), (110) and (111) oriented germanium nanowires. We show that the surface terminating group allows both the magnitude and the nature of the band gap to be changed. We further show that the absorption edge shifts to longer wavelength with the -NH2 and -OH terminations compared to the -H termination and we trace the origin of this effect to valence band modifications upon modifying the nanowire with -NH2 or -OH. These results show that it is possible to tune the band gap of small diameter Ge nanowires over a range of ca. 1.1 eV by simple surface chemistry.

  20. Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

    SciTech Connect

    Peterman, D.J.

    1980-01-01

    Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH/sub 2/ and YH/sub 2/ were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH/sub 2/ cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 < x < 2.9 are presented which, as expected, indicate a more premature occupation of the octahedral sites in the larger LaH/sub 2/ lattice. These experimental results also suggest that, in contrast to recent calculations, LaH/sub 3/ is a small-band-gap semiconductor.

  1. Isotope shifts in methane near 6000/cm

    NASA Technical Reports Server (NTRS)

    Fox, K.; Halsey, G. W.; Jennings, D. E.

    1976-01-01

    Isotope shifts for cleanly resolved vibrational-rotational absorption lines of CH4-12 and CH4-13 were measured by a 5-m focal length Littrow spectrometer in the 6000/cm range. The methane isotopes were held in separate absorption cells: 20 torr of CH4-13 in a 1-m cell, and 5 torr of CH4-12 in a White cell of 4-m optical path length. Measured shifts for the cleanly resolved singlets R(0), R(1), Q(1) and P(1) are summarized in tabular form.

  2. Determination of molar absorption coefficients of organic compounds adsorbed in porous media.

    PubMed

    Ciani, Andrea; Goss, Kai-Uwe; Schwarzenbach, René P

    2005-12-01

    The kinetics of direct photochemical transformations of organic compounds in light absorbing and scattering media has been sparsely investigated. This is mostly due to the experimental difficulties to assess the major parameters: light intensity in porous media, the reaction quantum yield and the molar absorption coefficient of the adsorbed compound, epsilon(i) (lambda). Here, we propose a method for the determination of the molar absorption coefficient of compounds adsorbed to air-dry surfaces using the Kubelka-Munk model for the description of radiative transfer. To illustrate the method, the molar absorption coefficients of three compounds, i.e. 4-nitroanisole (PNA), the herbicide trifluralin and the flame retardant decabromodiphenyl ether (DecaBDE), were determined on air-dry kaolinite. The measured diffuse reflectance spectra were evaluated with the Kubelka-Munk model and with previously determined Kubelka-Munk absorption and scattering coefficients (k and s), for kaolinite. For all compounds the maximum absorption band was found to be red shifted and the corresponding epsilon(i) (lambda) values were significantly greater than those determined in solvents. Together with the absorption and scattering coefficient of the medium, the measured epsilon(i) (lambda) can be used to determine the quantum yield of the photochemical reaction in this medium from experimentally determined reaction kinetics.

  3. Intrinsic nature of visible-light absorption in amorphous semiconducting oxides

    SciTech Connect

    Kang, Youngho; Song, Hochul; Han, Seungwu; Nahm, Ho-Hyun; Jeon, Sang Ho; Cho, Youngmi

    2014-03-01

    To enlighten microscopic origin of visible-light absorption in transparent amorphous semiconducting oxides, the intrinsic optical property of amorphous InGaZnO{sub 4} is investigated by considering dipole transitions within the quasiparticle band structure. In comparison with the crystalline InGaZnO{sub 4} with the optical gap of 3.6 eV, the amorphous InGaZnO{sub 4} has two distinct features developed in the band structure that contribute to significant visible-light absorption. First, the conduction bands are down-shifted by 0.55 eV mainly due to the undercoordinated In atoms, reducing the optical gap between extended states to 2.8 eV. Second, tail states formed by localized oxygen p orbitals are distributed over ∼0.5 eV near the valence edge, which give rise to substantial subgap absorption. The fundamental understanding on the optical property of amorphous semiconducting oxides based on underlying electronic structure will pave the way for resolving instability issues in recent display devices incorporating the semiconducting oxides.

  4. Electronic absorption spectra of C60+ -L (L = He, Ne, Ar, Kr, H2, D2, N2) complexes

    NASA Astrophysics Data System (ADS)

    Holz, Mathias; Campbell, Ewen Kyle; Rice, Corey Allen; Maier, John Paul

    2017-02-01

    Electronic spectra in the near infrared of C60+ with He, Ne, Ar, Kr, H2, D2 and N2 attached have been recorded below 10 K in a cryogenic radio frequency ion trap. Additional absorption bands are observed compared to the spectrum of C60+ -He. In the case of C60+ -N2, the strongest one of these shifts to lower energies by 21.3 cm-1 compared to the origin band of C60+ -He at 10378.5 cm-1. The pattern in the spectrum is dependent on the attached ligand. The gas-phase observations on C60+ -Ne allow a rationalization of the relative intensities of the absorptions of C60+ in a neon matrix.

  5. Spectral analysis on origination of the bands at 437 nm and 475.5 nm of chlorophyll fluorescence excitation spectrum in Arabidopsis chloroplasts.

    PubMed

    Zeng, Lizhang; Wang, Yongqiang; Zhou, Jun

    2016-05-01

    Chlorophyll fluorescence has been often used as an intrinsic optical molecular probe to study photosynthesis. In this study, the origin of bands at 437 and 475.5 nm in the chlorophyll fluorescence excitation spectrum for emission at 685 nm in Arabidopsis chloroplasts was investigated using various optical analysis methods. The results revealed that this fluorescence excitation spectrum was related to the absorption characteristics of pigment molecules in PSII complexes. Moreover, the excitation band centred at 475.5 nm had a blue shift, but the excitation band at 437 nm changed relatively less due to induction of non-photochemical quenching (NPQ). Furthermore, fluorescence emission spectra showed that this blue shift occurred when excitation energy transfer from both chlorophyll b (Chl b) and carotenoids (Cars) to chlorophyll a (Chl a) was blocked. These results demonstrate that the excitation band at 437 nm was mainly contributed by Chl a, while the excitation band at 475.5 nm was mainly contributed by Chl b and Cars. The chlorophyll fluorescence excitation spectrum, therefore, could serve as a useful tool to describe specific characteristics of light absorption and energy transfer between light-harvesting pigments.

  6. Band Anticrossing in Highly Mismatched Compound Semiconductor Alloys

    NASA Technical Reports Server (NTRS)

    Yu, Kin Man; Wu, J.; Walukiewicz, W.; Ager, J. W.; Haller, E. E.; Miotkowski, I.; Su, Ching-Hua; Curreri, Peter A. (Technical Monitor)

    2001-01-01

    Compound semiconductor alloys in which metallic anions are partially replaced with more electronegative isoelectronic atoms have recently attracted significant attention. Group IIIN(sub x)V(sub 1-x) alloys with a small amount of the electronegative N substituting more metallic column V elements has been the most extensively studied class of such Highly Mismatched Alloys (HMAs). We have shown that many of the unusual properties of the IIIN(sub x)V(sub 1-x) alloys can be well explained by the Band Anticrossing (BAC) model that describes the electronic structure in terms of an interaction between highly localized levels of substitutional N and the extended states of the host semiconductor matrix. Most recently the BAC model has been also used to explain similar modifications of the electronic band structure observed in Te-rich ZnS(sub x)Te(sub 1-x) and ZnSe(sub y)Te(sub 1-y) alloys. To date studies of HMAs have been limited to materials with relatively small concentrations of highly electronegative atoms. Here we report investigations of the electronic structure of ZnSe(sub y)Te(sub 1-y) alloys in the entire composition range, y between 0 and 1. The samples used in this study are bulk ZnSe(sub y)Te(sub 1-y) crystals grown by either a modified Bridgman method or by physical vapor transport. Photomodulated reflection (PR) spectroscopy was used to measure the composition dependence of optical transitions from the valence band edge and from the spin-orbit split off band to the conduction band. The pressure dependence of the band gap was measured using optical absorption in a diamond anvil cell. We find that the energy of the spin-orbit split off valence band edge does not depend on composition and is located at about 3 eV below the conduction band edge of ZnSe. On the Te-rich side the pressure and the composition dependence of the optical transitions are well explained by the BAC model which describes the downward shift of the conduction band edge in terms of the

  7. Band Anticrossing in Highly Mismatched Compound Semiconductor Alloys

    NASA Technical Reports Server (NTRS)

    Yu, Kin Man; Wu, J.; Walukiewicz, W.; Ager, J. W.; Haller, E. E.; Miotkowski, I.; Ramdas, A.; Su, Ching-Hua; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Compound semiconductor alloys in which metallic anions are partially replaced with more electronegative isoelectronic atoms have recently attracted significant attention. Group IIIN(x)V(1-x), alloys with a small amount of the electronegative N substituting more metallic column V elements has been the most extensively studied class of such Highly Mismatched Alloys (HMAs). We have shown that many of the unusual properties of the IIIN(x),V(1-x) alloys can be well explained by the Band Anticrossing (BAC) model that describes the electronic structure in terms of an interaction between highly localized levels of substitutional N and the extended states of the host semiconductor matrix. Most recently the BAC model has been also used to explain similar modifications of the electronic band structure observed in Te-rich ZnS(x)Te(l-x) and ZnSe(Y)Te(1-y) alloys. To date studies of HMAs have been limited to materials with relatively small concentrations of highly electronegative atoms. Here we report investigations of the electronic structure of ZnSe(y)Te(1-y) alloys in the entire composition range, 0 less than or equal to y less than or equal to 1. The samples used in this study are bulk ZnSe(y)Te(1-y) crystals grown by either a modified Bridgman method or by physical vapor transport. Photomodulated reflection (PR) spectroscopy was used to measure the composition dependence of optical transitions from the valence band edge and from the spin-orbit split off band to the conduction band. The pressure dependence of the band gap was measured using optical absorption in a diamond anvil cell. We find that the energy of the spin-orbit split off valence band edge does not depend on composition and is located at about 3 eV below the conduction band edge of ZnSe. On the Te-rich side the pressure and the composition dependence of the optical transitions are well explained by the BAC model which describes the downward shift of the conduction band edge in terms of the interaction between

  8. Selective coherent perfect absorption in metamaterials

    SciTech Connect

    Nie, Guangyu; Shi, Quanchao; Zhu, Zheng; Shi, Jinhui

    2014-11-17

    We show multi-band coherent perfect absorption (CPA) in simple bilayered asymmetrically split ring metamaterials. The selectivity of absorption can be accomplished by separately excited electric and magnetic modes in a standing wave formed by two coherent counterpropagating beams. In particular, each CPA can be completely switched on/off by the phase of a second coherent wave. We propose a practical scheme for realizing multi-band coherent perfect absorption of 100% that is allowed to work from microwave to optical frequency.

  9. Role of non-Condon vibronic coupling and conformation change on two-photon absorption spectra of green fluorescent protein

    NASA Astrophysics Data System (ADS)

    Ai, Yuejie; Tian, Guangjun; Luo, Yi

    2013-07-01

    Two-photon absorption spectra of green fluorescent proteins (GFPs) often show a blue-shift band compared to their conventional one-photon absorption spectra, which is an intriguing feature that has not been well understood. We present here a systematic study on one- and two-photon spectra of GFP chromophore by means of the density functional response theory and complete active space self-consistent field (CASSCF) methods. It shows that the popular density functional fails to provide correct vibrational progression for the spectra. The non-Condon vibronic coupling, through the localised intrinsic vibrational modes of the chromophore, is responsible for the blue-shift in the TPA spectra. The cis to trans isomerisation can be identified in high-resolution TPA spectra. Our calculations demonstrate that the high level ab initio multiconfigurational CASSCF method, rather than the conventional density functional theory is required for investigating the essential excited-state properties of the GFP chromophore.

  10. Assessment of Thematic Mapper Band-to-band Registration by the Block Correlation Method

    NASA Technical Reports Server (NTRS)

    Card, D. H.; Wrigley, R. C.; Mertz, F. C.; Hall, J. R.

    1985-01-01

    Rectangular blocks of pixels from one band image were statistically correlated against blocks centered on identical pixels from a second band image. The block pairs were shifted in pixel increments both vertically and horizontally with respect to each other and the correlation coefficient to the maximum correlation was taken as the best estimate of registration error for each block pair. For the band combinations of the Arkansas scene studied, the misregistration of TM spectral bands within the noncooled focal plane lie well within the 0.2 pixel target specification. Misregistration between the middle IR bands is well within this specification also. The thermal IR band has an apparent misregistration with TM band 7 of approximately 3 pixels in each direction. The TM band 3 has a misregistration of approximately 0.2 pixel in the across-scan direction and 0.5 pixel in the along-scan direction, with both TM bands 5 and 7.

  11. Assessment of Thematic Mapper band-to-band registration by the block correlation method

    NASA Technical Reports Server (NTRS)

    Card, D. H.; Wrigley, R. C.; Mertz, F. C.; Hall, J. R.

    1983-01-01

    Rectangular blocks of pixels from one band image were statistically correlated against blocks centered on identical pixels from a second band image. The block pairs were shifted in pixel increments both vertically and horizontally with respect to each other and the correlation coefficient to the maximum correlation was taken as the best estimate of registration error for each block pair. For the band combinations of the Arkansas scene studied, the misregistration of TM spectral bands within the noncooled focal plane lie well within the 0.2 pixel target specification. Misregistration between the middle IR bands is well within this specification also. The thermal IR band has an apparent misregistration with TM band 7 of approximately 3 pixels in each direction. The TM band 3 has a misregistration of approximately 0.2 pixel in the across-scan direction and 0.5 pixel in the along-scan direction, with both TM bands 5 and 7.

  12. Predissociation linewidths of the (3,0)-(11,0) Schumann-Runge absorption bands of (O-18)2 and O-16O-18 in the wavelength region 180-196 nm

    NASA Technical Reports Server (NTRS)

    Chiu, S. S.-L.; Cheung, A. S.-C.; Yoshino, K.; Esmond, J. R.; Freeman, D. E.

    1990-01-01

    The Yoshino et al. (1988) measurements of absolute cross sections and those of Cheung et al. (1988) for spectroscopic constants are presently used to derive the predissociation linewidths of the (3,0)-(11,0) Schumman-Runge bands of (O-18)2 and O-16O-18, in the 180-196 nm wavelength region. Linewidths are determined as parameters in the nonlinear, least-squares fitting of calculated cross-sections to measured ones. The predissociation linewidths obtained are noted to often be greater than previously obtained experimental values for both isotopic molecules.

  13. Expanded graphite/Novolac phenolic resin composite as single layer electromagnetic wave absorber for x-band applications

    NASA Astrophysics Data System (ADS)

    Gogoi, Jyoti P.; Bhattacharyya, Nidhi Saxena

    2013-01-01

    Expanded graphite/novolac phenolic resin (EG/NPR) composites are developed as dielectric absorbers with 4mm thickness and its microwave absorption ability studied in the frequency range 8.4 to 12.4 GHz. A high reflection loss ~ -43 dB is observed at 12.4 GHz for 5 wt. % EG/NPR composites. With the increase in EG concentration in the composite the reflection loss decreases and the absorption peak shifts towards lower frequency. 7 wt. %, 8 wt. % and 10 wt. % composites shows a 10dB absorption bandwidth of order of 1GHz. Light weight EG/NPR composite shows potential to be used as cost-effective broadband microwave absorber over the X-band.

  14. Excited states and absorption spectra of β-diketonate complexes of boron difluoride with aromatic substituents

    NASA Astrophysics Data System (ADS)

    Vovna, V. I.; Kazachek, M. V.; L'vov, I. B.

    2012-04-01

    In the approximation of the time-dependent electron density functional theory, we have studied using the quantum-chemical method the nature of excited states of boron difluoride acetylacetonate F2BAA and its substituted derivatives that contain aromatic groups with one or two benzene cycles in the β-position. Optimization of the geometry of complexes show coplanar positions of cycles for all compounds, except for that with the substituent C6H3(CH3)2. Based on the calculated transition energies and oscillator strengths, we have simulated the absorption spectra in the prevacuum range. The calculated absorption spectra have been compared with the experimental spectra in the gas phase or in solutions. We show that, in the absorption spectra of complexes that contain substituents with one benzene cycle, the first three bands are caused by the transition of π electrons of the substituent to the LUMO of the chelate cycle. In complexes with two cycles in the substituent, the number of these transitions increases to five. As the π system becomes more extended, a bathochromic shift of the first absorption band and an increase in the transition probability are observed.

  15. NOTE: Visible absorption properties of radiation exposed XR type-T radiochromic film

    NASA Astrophysics Data System (ADS)

    Butson, Martin J.; Cheung, Tsang; Yu, Peter K. N.

    2004-10-01

    The visible absorption spectra of Gafchromic XR type-T radiochromic film have been investigated to analyse the dosimetry characteristics of the film with visible light densitometers. Common densitometers can use photo-spectrometry, fluorescent light (broad-band visible), helium neon (632 nm), light emitting diode (LED) or other specific bandwidth spectra. The visible absorption spectra of this film when exposed to photon radiation show peaks at 676 nm and 618 nm at 2 Gy absorbed doses which shift to slightly lower wavelengths (662 nm and 612 nm at 8 Gy absorbed dose) at higher doses. This is similar to previous models of Gafchromic film such as MD-55-2 and HS but XR type-T also includes a large absorption at lower visible wavelengths due to 'yellow' dyes placed within the film to aid with visible recognition of the film exposure level. The yellow dye band pass is produced at approximately 520 nm to 550 nm and absorbs wavelengths lower than this value within the visible spectrum. This accounts for the colour change from yellow to brown through the added absorption in the red wavelengths with radiation exposure. The film produces a relatively high dose sensitivity with up to 0.25 OD units per Gy change at 672 nm at 100 kVp x-ray energy. Variations in dose sensitivity can be achieved by varying wavelength analysis.

  16. Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

    NASA Astrophysics Data System (ADS)

    Li, Xin; Hua, Weijie; Wang, Bo-Yao; Pong, Way-Faung; Glans, Per-Anders; Guo, Jinghua; Luo, Yi

    2016-08-01

    Doping is an efficient way to open the zero band gap of graphene. The control of the dopant domain size allows us to tailor the electronic structure and the properties of the graphene. We have studied the electronic structure of boron nitride doped graphenes with different domain sizes by simulating their near-edge X-ray absorption fine structure (NEXAFS) spectra at the N K-edge. Six different doping configurations (five quantum dot type and one phase-separated zigzag-edged type) were chosen, and N K-edge NEXAFS spectra were calculated with large truncated cluster models by using the density functional theory with hybrid functional and the equivalent core hole approximation. The opening of the band gap as a function of the domain size is revealed. We found that nitrogens in the dopant boundary contribute a weaker, red-shifted π* peak in the spectra as compared to those in the dopant domain center. The shift is related to the fact that these interfacial nitrogens dominate the lowest conduction band of the system. Upon increasing the domain size, the ratio of interfacial atom decreases, which leads to a blue shift of the π* peak in the total NEXAFS spectra. The spectral evolution agrees well with experiments measured at different BN-dopant concentrations and approaches to that of a pristine h-BN sheet.

  17. Effects of atomic oxygen on OH Meinel emission bands in the MLT region

    NASA Astrophysics Data System (ADS)

    Von Savigny, Christian; Lednyts'kyy, Olexandr

    The OH Meinel airglow is one of the most prominent features of the terrestrial nightglow and has been employed for several decades to remotely sense the mesopause region. However, some aspects of the OH kinetics are still not fully understood. In this contribution we present recent results on the importance of quenching by atomic oxygen on the vertical distribution of different OH Meinel bands. OH Meinel emissions from different vibrational levels are known to occur at slightly different altitudes in the terrestrial airglow with emissions originating from higher vibrational levels peaking at higher altitudes. Our earlier model studies suggested quenching by atomic oxygen to be a principal cause of these vertical shifts. Here we employ the tropical mesopause region - characterized by pronounced semiannual variations - as a natural laboratory to test the hypothesis that vertical shifts between different OH Meinel bands are a consequence of quenching by atomic oxygen. Multiyear nighttime satellite measurements of OH(3-1) and OH(6-2) volume emission rate profiles and atomic oxygen with SCIAMACHY (Scanning Imaging Absorption Spectrometer for Atmospheric Chartography) on Envisat are used. The MLT atomic oxygen profiles are retrieved from measurements of the O(1S-1D) green line emission based on the accepted 2-step excitation scheme and a semi-empirical photochemical model. The results clearly demonstrate that vertical shifts between the OH bands investigated are indeed correlated with the amount of atomic oxygen in the upper mesosphere, corroborating the hypothesis that quenching by atomic oxygen is a driver for the vertical shifts between different OH Meinel bands.

  18. Measurements of the absorption cross section of (13)CHO(13)CHO at visible wavelengths and application to DOAS retrievals.

    PubMed

    Goss, Natasha R; Waxman, Eleanor M; Coburn, Sean C; Koenig, Theodore K; Thalman, Ryan; Dommen, Josef; Hannigan, James W; Tyndall, Geoffrey S; Volkamer, Rainer

    2015-05-14

    The trace gas glyoxal (CHOCHO) forms from the atmospheric oxidation of hydrocarbons and is a precursor to secondary organic aerosol. We have measured the absorption cross section of disubstituted (13)CHO(13)CHO ((13)C glyoxal) at moderately high (1 cm(-1)) optical resolution between 21 280 and 23 260 cm(-1) (430-470 nm). The isotopic shifts in the position of absorption features were found to be largest near 455 nm (Δν = 14 cm(-1); Δλ = 0.29 nm), whereas no significant shifts were observed near 440 nm (Δν < 0.5 cm(-1); Δλ < 0.01 nm). These shifts are used to investigate the selective detection of (12)C glyoxal (natural isotope abundance) and (13)C glyoxal by in situ cavity enhanced differential optical absorption spectroscopy (CE-DOAS) in a series of sensitivity tests using synthetic spectra, and laboratory measurements of mixtures containing (12)C and (13)C glyoxal, nitrogen dioxide, and other interfering absorbers. We find the changes in apparent spectral band shapes remain significant at the moderately high optical resolution typical of CE-DOAS (0.55 nm fwhm). CE-DOAS allows for the selective online detection of both isotopes with detection limits of ∼200 pptv (1 pptv = 10(-12) volume mixing ratio), and sensitivity toward total glyoxal of few pptv. The (13)C absorption cross section is available for download from the Supporting Information.

  19. Ultraviolet-visible absorption spectra of N-doped TiO2 film deposited on sapphire

    NASA Astrophysics Data System (ADS)

    Park, Jaewon; Lee, Jung-Yup; Cho, Jun-Hyung

    2006-12-01

    The optical-response properties of nitrogen(N)-doped titanium dioxide (TiO2) films are investigated by means of a combination of ultraviolet-visible absorption spectroscopy and first-principles density-functional calculations. The TiO2 films were epitaxially grown on the sapphire substrate by the pulsed laser deposition method. The doping of N atoms was achieved by 70keV of N+ ion implantation, followed by postirradiation heat treatment at 550°C for 2h in air. We find that when 5×1016 (1×1017)Nions/cm2 were implanted into the epitaxially grown TiO2 film, the absorption edge is reproducibly shifted to lower energy by about 0.06 (0.12)eV together with a significant optical absorption extending into the visible-light region. These experimental data can be explained by our calculated band structure of N-doped TiO2, where the bands originating from N 2p states locate above the valence band edge, while the band gap narrowing due to the mixing of N with O 2p states is 0.04eV.

  20. A combined strategy of mass fragmentation, post-column cobalt complexation and shift in ultraviolet absorption spectra to determine the uridine 5'-diphospho-glucuronosyltransferase metabolism profiling of flavones after oral administration of a flavone mixture in rats.

    PubMed

    Li, Qiang; Wang, Liping; Dai, Peimin; Zeng, Xuejun; Qi, Xiaoxiao; Zhu, Lijun; Yan, Tongmeng; Wang, Ying; Lu, Linlin; Hu, Ming; Wang, Xinchun; Liu, Zhongqiu

    2015-05-22

    The use of dietary flavones is becoming increasingly popular for their prevention of cancers, cardiovascular diseases, and other diseases. Despite many pharmacokinetic studies on flavone mixtures, the position(s) of glucuronidation sites on the flavone skeleton in vivo remain(s) uncertain because of the lack of a convenient method to differentiate the isomers in biological samples. Accordingly, this study aimed to develop a new strategy to identify the position of the mono-O-glucuronide of flavones in vivo and to simultaneously determine the parent agent and its major metabolites responsible for complex pharmacokinetic characteristics. The novel strategy involves accurate mass measurements of flavone glucuronides, their [Co(II) (flavone glucuronide-H) (4,7-diphenyl-1,10-phenanthroline)2](+) complexes generated via the post-column addition of CoBr2 and 4,7-diphenyl-1,10-phenanthroline, and their mass spectrometric fragmentation by UPLC-DAD-Q-TOF and the comparison of retention times with biosynthesized standards of different isomers that were identified by analyzing the shift in UV spectra compared with the spectra of their respective aglycones. We successfully generated a metabolite profiling of flavones in rat plasma after oral administration of a flavone mixture from Dracocephalum moldavica L., which was used here as the model to demonstrate the strategy. Twelve flavone glucuronides, which were glucuronidated derivatives of acacetin, apigenin, luteolin, diosmetin, chrysoeriol and cirsimaritin, were detected and identified. Glucuronidation of the flavone skeleton at the 3'-/7-position was more prevalent, however, luteolin 4'-glucuronide levels exceeded luteolin 7-glucuronide levels. Based on the UDP-glucuronosyltransferase (UGT) metabolism profiling of flavones in rat plasma, six main compounds (tilianin, acacetin 7-glucuronide, apigenin 7-glucuronide, luteolin 3'-glucuronide, acacetin, and apigenin) were selected as pharmacokinetic markers. Pharmacokinetic