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Sample records for 1h multiple quantum

  1. Probing degradation in complex engineering silicones by 1H multiple quantum NMR

    SciTech Connect

    Maxwell, R S; Chinn, S C; Giuliani, J; Herberg, J L

    2007-09-05

    Static {sup 1}H Multiple Quantum Nuclear Magnetic Resonance (MQ NMR) has recently been shown to provide detailed insight into the network structure of pristine silicon based polymer systems. The MQ NMR method characterizes the residual dipolar couplings of the silicon chains that depend on the average molecular weight between physical or chemical constraints. Recently, we have employed MQ NMR methods to characterize the changes in network structure in a series of complex silicone materials subject to numerous degradation mechanisms, including thermal, radiative, and desiccative. For thermal degradation, MQ NMR shows that a combination of crosslinking due to post-curing reactions as well as random chain scissioning reactions occurs. For radiative degradation, the primary mechanisms are via crosslinking both in the network and at the interface between the polymer and the inorganic filler. For samples stored in highly desiccating environments, MQ NMR shows that the average segmental dynamics are slowed due to increased interactions between the filler and the network polymer chains.

  2. Thermal degradation in a trimodal PDMS network by 1H Multiple Quantum NMR

    SciTech Connect

    Giuliani, J R; Gjersing, E L; Chinn, S C; Jones, T V; Wilson, T S; Alviso, C T; Herberg, J L; Pearson, M A; Maxwell, R S

    2007-06-06

    Thermal degradation of a filled, crosslinked siloxane material synthesized from PDMS chains of three different average molecular weights and with two different crosslinking species has been studied by {sup 1}H Multiple Quantum (MQ) NMR methods. Multiple domains of polymer chains were detected by MQ NMR exhibiting Residual Dipolar Coupling (<{Omega}{sub d}>) values of 200 Hz and 600 Hz, corresponding to chains with high average molecular weight between crosslinks and chains with low average molecular weight between crosslinks or near the multifunctional crosslinking sites. Characterization of the <{Omega}{sub d}> values and changes in <{Omega}{sub d}> distributions present in the material were studied as a function of time at 250 C and indicates significant time dependent degradation. For the domains with low <{Omega}{sub d}>, a broadening in the distribution was observed with aging time. For the domain with high <{Omega}{sub d}>, increases in both the mean <{Omega}{sub d}> and the width in <{Omega}{sub d}> were observed with increasing aging time. Isothermal Thermal Gravimetric Analysis (TGA) reveals a 3% decrease in weight over 20 hours of aging at 250 C. Degraded samples also were analyzed by traditional solid state {sup 1}H NMR techniques and offgassing products were identified by Solid Phase MicroExtraction followed by Gas Chromatography-Mass Spectrometry (SPME GC-MS). The results, which will be discussed here, suggest that thermal degradation proceeds by complex competition between oxidative chain scissioning and post-curing crosslinking that both contribute to embrittlement.

  3. Hydrogen cluster/network in tobermorite as studied by multiple-quantum spin counting {sup 1}H NMR

    SciTech Connect

    Mogami, Yuuki; Yamazaki, Satoru; Matsuno, Shinya; Matsui, Kunio; Noda, Yasuto; Takegoshi, K.

    2014-12-15

    Proton multiple-quantum (MQ) spin-counting experiment has been employed to study arrangement of hydrogen atoms in 9 Å/11 Å natural/synthetic tobermorites. Even though all tobermorite samples give similar characterless, broad static-powder {sup 1}H NMR spectra, their MQ spin-counting spectra are markedly different; higher quanta in 11 Å tobermorite do not grow with the MQ excitation time, while those in 9 Å one do. A statistical analysis of the MQ results recently proposed [26] is applied to show that hydrogens align in 9 Å tobermorite one dimensionally, while in 11 Å tobermorite they exist as a cluster of 5–8 hydrogen atoms.

  4. Investigation of network heterogeneities in filled, trimodal, highly functional PDMS networks by 1H Multiple Quantum NMR

    SciTech Connect

    Gjersing, E; Chinn, S; Maxwell, R S; Herberg, J; Eastwood, E; Bowen, D; Stephens, T

    2006-09-06

    The segmental order and dynamics of polymer network chains in a filled, tri-modal silicone network have been studied by static 1H Multiple Quantum (MQ) NMR methods to gain insight into the structure property relationships. The materials were synthesized with two different types of crosslinks, with functionalities of 4 and near 60. The network chains were composed of distributions of high, low, and medium molecular weight chains. Crosslinking was accomplished by standard acid catalyzed reactions. MQ NMR methods have detected domains with residual dipolar couplings (<{Omega}{sub d}>) of near 4 kRad/s and 1 kRad/s assigned to (a) the shorter polymer chains and chains near the multifunctional ({phi}=60) crosslinking sites and to (b) the longer polymer chains far from these sites. Three structural variables were systematically varied and the mechanical properties and distributions of residual dipolar couplings measured in order to gain insight in to the network structural motifs that contribute significantly to the composite properties. The partitioning of and the average values of the residual dipolar couplings for the two domains were observed to be dependent on formulation variable and provided increased insight into the mechanical properties of these materials which are unavailable from swelling and spin-echo methods. The results of this study suggest that the domains with high crosslink density contribute significantly to the high strain modulus, while the low crosslink density domains do not. This is in agreement with theories and experimental studies on silicone bimodal networks over the last 20 years. In-situ MQ-NMR of swollen sample suggests that the networks deform non-affinely, in agreement with theory. The NMR experiments shown here provide increased ability to characterize multimodal networks of typical engineering silicone materials and to gain significant insight into structure-property relationships.

  5. Investigation of network heterogeneities in filled, trimodal, highly functional PDMS networks by 1H Multiple Quantum NMR

    SciTech Connect

    Maxwell, R; Gjersing, E; Chinn, S; Giuliani, J; Herberg, J; Eastwood, E; Bowen, D; Stephens, T

    2007-03-20

    The segmental order and dynamics of polymer network chains in a filled, tri-modal silicone foam network have been studied by static 1H Multiple Quantum (MQ) NMR methods to gain insight into the structure property relationships. The foam materials were synthesized with two different types of crosslinks, with functionalities, {phi}, of 4 and near 60. The network chains were composed of distributions of high, low, and medium molecular weight chains. Crosslinking was accomplished by standard acid catalyzed reactions. MQ NMR methods have detected domains with residual dipolar couplings (<{Omega}{sub d}>) of near 4 kRad/s and 1 kRad/s assigned to (a) the shorter polymer chains and chains near the multifunctional (f=60) crosslinking sites and to (b) the longer polymer chains far from these sites. Three structural variables were systematically varied and the mechanical properties via compression and distributions of residual dipolar couplings measured in order to gain insight in to the network structural motifs that contribute significantly to the composite properties. The partitioning of and the average values of the residual dipolar couplings for the two domains were observed to be dependent on formulation variable and provided increased insight into the network structure of these materials which are unavailable from swelling and spin-echo methods. The results of this study suggest that the domains with high crosslink density contribute significantly to the high strain modulus, while the low crosslink density domains do not. This is in agreement with theories and experimental studies on silicone bimodal networks over the last 20 years. In-situ MQ-NMR of swollen sample suggests that the networks deform heterogeneously and non-affinely. The heterogeneity of the deformation process was observed to depend on the amount of the high functionality crosslinking site PMHS. The NMR experiments shown here provide increased ability to characterize multimodal networks of typical

  6. Selective observation of biologically important 15N-labeled metabolites in isolated rat brain and liver by 1H-detected multiple-quantum-coherence spectroscopy

    NASA Astrophysics Data System (ADS)

    Kanamori, Keiko; Ross, Brian D.; Parivar, Farhad

    Four cerebral metabolites of importance in neurotransmission, serotonin, L-tryptophan, L-glutamine, and N-acetyl- L-aspartate, and two hepatic urea-cycle intermediates, citrulline and urea, were found to be observable by 1H- 15N heteronuclear multiple-quantum-coherence (HMQC) spectroscopy in aqueous solution at physiological pH and temperature, through the protons spin-coupled to their indole, amide, or ureido nitrogen. Their 1H chemical shifts were well dispersed over a 5-10 ppm region while the 1J 15N- 1H values were 87-99 Hz. For [γ- 15N]glutamine, a 50- to 100-fold increase in sensitivity over direct 15N detection was achieved, in contrast to a 2-fold increase by the polarization-transfer method. In the isolated brain of portacaval-shunted rats, the amide protons of biologically 15N-enriched [γ- 15N]glutamine were observed in 2 min of acquisition, with suppression of proton signals from all other cerebral metabolites. In isolated liver of 15N-enriched control rats, [ 15NIurea protons were observed in 16 min. The HMQC method is likely to be effective for the in vivo study of cerebral and hepatic nitrogen metabolism.

  7. Overcoming the overlap problem in the assignment of 1H NMR spectra of larger proteins by use of three-dimensional heteronuclear 1H-15N Hartmann-Hahn-multiple quantum coherence and nuclear Overhauser-multiple quantum coherence spectroscopy: application to interleukin 1 beta.

    PubMed

    Marion, D; Driscoll, P C; Kay, L E; Wingfield, P T; Bax, A; Gronenborn, A M; Clore, G M

    1989-07-25

    The application of three-dimensional (3D) heteronuclear NMR spectroscopy to the sequential assignment of the 1H NMR spectra of larger proteins is presented, using uniformly labeled (approximately 95%) [15N]interleukin 1 beta, a protein of 153 residues and molecular mass of 17.4 kDa, as an example. The two-dimensional (2D) 600-MHz spectra of interleukin 1 beta are too complex for complete analysis, owing to extensive cross-peak overlap and chemical shift degeneracy. We show that the combined use of 3D 1H-15N Hartmann-Hahn-multiple quantum coherence (HOHAHA-HMQC) and nuclear Overhauser-multiple quantum coherence (NOESY-HMQC) spectroscopy, designed to provide the necessary through-bond and through-space correlations for sequential assignment, provides a practical general-purpose method for resolving ambiguities which severely limit the analysis of conventional 2D NMR spectra. The absence of overlapping cross-peaks in these 3D spectra allows the unambiguous identification of C alpha H(i)-NH(i+1) and NH(i)-NH(i+1) through-space nuclear Overhauser connectivities necessary for connecting a particular C alpha H(i)-NH(i) through-bond correlation with its associated through-space sequential cross-peak The problem of amide NH chemical shift degeneracy in the 1H NMR spectrum is therefore effectively removed, and the assignment procedure simply involves inspecting a series of 2D 1H-1H slices edited by the chemical shift of the directly bonded 15N atom. Connections between residues can be identified almost without any knowledge of the spin system types involved, though this type of information is clearly required for the eventual placement of the connected residues within the primary sequence.

  8. Dependence of in vivo glutamine synthetase activity on ammonia concentration in rat brain studied by 1H - 15N heteronuclear multiple-quantum coherence-transfer NMR.

    PubMed Central

    Kanamori, K; Ross, B D; Kuo, E L

    1995-01-01

    The dependence of the in vivo rate of glutamine synthesis on the substrate ammonia concentration was studied in rat brain by 1H-15N heteronuclear multiple-quantum coherence-transfer NMR in combination with biochemical techniques. In vivo rates were measured at various steady-state blood and brain ammonia concentrations within the ranges 0.4-0.55 mumol/g and 0.86-0.98 mumol/g respectively, after low-rate intravenous 15NH4+ infusion (isotope chase). The rate of glutamine synthesis at steady state was determined from the change in brain [5-15N]glutamine levels during isotope chase, observed selectively through the amide proton by NMR, and 15N enrichments of brain glutamine and of blood and brain ammonia measured byN gas chromatography-MS. The in vivo rate (v) was 3.3-4.5 mumol/h per g of brain at blood ammonia concentrations (s) of 0.40-0.55 mumol/g. A linear increase of 1/v with 1/s permitted estimation of the in vivo glutamine synthetase (GS) activity at a physiological blood ammonia concentration to be 0.4-2.1 mumol/h per g. The observed ammonia-dependence strongly suggests that, under physiological conditions, in vivo GS activity is kinetically limited by sub-optimal in situ concentrations of ammonia as well as glutamate and ATP. Comparison of the observed in vivo GS activity with the reported in vivo rates of glutaminase and of gamma-aminobutyrate (GABA) synthesis suggests that, under mildly hyperammonaemic conditions, glutamine is synthesized at a sufficiently high rate to serve as a precursor of GABA, but glutaminase-catalysed hydrolysis of glutamine is too slow to be the sole provider of glutamate used for GABA synthesis. PMID:7487913

  9. Quantitative analysis of conformational exchange contributions to 1H-15N multiple-quantum relaxation using field-dependent measurements. Time scale and structural characterization of exchange in a calmodulin C-terminal domain mutant.

    PubMed

    Lundström, Patrik; Akke, Mikael

    2004-01-28

    Multiple-quantum spin relaxation is a sensitive probe for correlated conformational exchange dynamics on microsecond to millisecond time scales in biomolecules. We measured differential 1H-15N multiple-quantum relaxation rates for the backbone amide groups of the E140Q mutant of the C-terminal domain of calmodulin at three static magnetic field strengths. The differential multiple-quantum relaxation rates range between -88.7 and 92.7 s(-1), and the mean and standard deviation are 7.0 +/- 24 s(-1), at a static magnetic field strength of 14.1 T. Together with values of the 1H and 15N chemical shift anisotropies (CSA) determined separately, the field-dependent data enable separation of the different contributions from dipolar-dipolar, CSA-CSA, and conformational exchange cross-correlated relaxation mechanisms to the differential multiple-quantum relaxation rates. The procedure yields precise quantitative information on the dominant conformational exchange contributions observed in this protein. The field-dependent differences between double- and zero-quantum relaxation rates directly benchmark the rates of conformational exchange, showing that these are fast on the chemical shift time scale for the large majority of residues in the protein. Further analysis of the differential 1H-15N multiple-quantum relaxation rates using previously determined exchange rate constants and populations, obtained from 15N off-resonance rotating-frame relaxation data, enables extraction of the product of the chemical shift differences between the resonance frequencies of the 1H and 15N spins in the exchanging conformations, deltasigma(H)deltasigma(N). Thus, information on the 1H chemical shift differences is obtained, while circumventing complications associated with direct measurements of conformational exchange effects on 1H single-quantum coherences in nondeuterated proteins. The method significantly increases the information content available for structural interpretation of the

  10. Nuclear receptor NR1H3 in familial multiple sclerosis

    PubMed Central

    Wang, Zhe; Sadovnick, A. Dessa; Traboulsee, Anthony L.; Ross, Jay P.; Bernales, Cecily Q.; Encarnacion, Mary; Yee, Irene M.; de Lemos, Madonna; Greenwood, Talitha; Lee, Joshua D.; Wright, Galen; Ross, Colin J.; Zhang, Si; Song, Weihong; Vilariño-Güell, Carles

    2016-01-01

    SUMMARY Multiple sclerosis (MS) is an inflammatory disease characterized by myelin loss and neuronal dysfunction. Despite the aggregation observed in some families, pathogenic mutations have remained elusive. In this study we describe the identification of NR1H3 p.Arg415Gln in seven MS patients from two multi-incident families presenting severe and progressive disease, with an average age at onset of 34 years. Additionally, association analysis of common variants in NR1H3 identified rs2279238 conferring a 1.35-fold increased risk of developing progressive MS. The p.Arg415Gln position is highly conserved in orthologs and paralogs, and disrupts NR1H3 heterodimerization and transcriptional activation of target genes. Protein expression analysis revealed that mutant NR1H3 (LXRA) alters gene expression profiles, suggesting a disruption in transcriptional regulation as one of the mechanisms underlying MS pathogenesis. Our study indicates that pharmacological activation of LXRA or its targets may lead to effective treatments for the highly debilitating and currently untreatable progressive phase of MS. PMID:27253448

  11. Multiple quantum coherence spectroscopy.

    PubMed

    Mathew, Nathan A; Yurs, Lena A; Block, Stephen B; Pakoulev, Andrei V; Kornau, Kathryn M; Wright, John C

    2009-08-20

    Multiple quantum coherences provide a powerful approach for studies of complex systems because increasing the number of quantum states in a quantum mechanical superposition state increases the selectivity of a spectroscopic measurement. We show that frequency domain multiple quantum coherence multidimensional spectroscopy can create these superposition states using different frequency excitation pulses. The superposition state is created using two excitation frequencies to excite the symmetric and asymmetric stretch modes in a rhodium dicarbonyl chelate and the dynamic Stark effect to climb the vibrational ladders involving different overtone and combination band states. A monochromator resolves the free induction decay of different coherences comprising the superposition state. The three spectral dimensions provide the selectivity required to observe 19 different spectral features associated with fully coherent nonlinear processes involving up to 11 interactions with the excitation fields. The different features act as spectroscopic probes of the diagonal and off-diagonal parts of the molecular potential energy hypersurface. This approach can be considered as a coherent pump-probe spectroscopy where the pump is a series of excitation pulses that prepares a multiple quantum coherence and the probe is another series of pulses that creates the output coherence. PMID:19507812

  12. Nearly 10(6)-fold enhancements in intermolecular (1)H double-quantum NMR experiments by nuclear hyperpolarization.

    PubMed

    Mishkovsky, Mor; Eliav, Uzi; Navon, Gil; Frydman, Lucio

    2009-09-01

    Intermolecular Multiple-Quantum Coherences (iMQCs) can yield interesting NMR information of high potential usefulness in spectroscopy and imaging - provided their associated sensitivity limitations can be overcome. A recent study demonstrated that ex situ dynamic nuclear polarization (DNP) could assist in overcoming sensitivity problems for iMQC-based experiments on (13)C nuclei. In the present work we show that a similar approach is possible when targeting the protons of a hyperpolarized solvent. It was found that although the DNP procedure enhances single-quantum (1)H signals by about 600, which is significantly less than in optimized low-gamma liquid-state counterparts, the non-linear dependence of iMQC-derived signals on polarization can yield very large enhancements approaching 10(6). Cleary no practical amount of data averaging can match this kind of sensitivity gains. The fact that DNP endows iMQC-based (1)H NMR spectra with a sensitivity that amply exceeds that of their thermally polarized single-quantum counterpart, is confirmed in a number of simple single-scan 2D imaging experiments.

  13. Efficient dipolar double quantum filtering under magic angle spinning without a (1)H decoupling field.

    PubMed

    Courtney, Joseph M; Rienstra, Chad M

    2016-08-01

    We present a systematic study of dipolar double quantum (DQ) filtering in (13)C-labeled organic solids over a range of magic-angle spinning rates, using the SPC-n recoupling sequence element with a range of n symmetry values from 3 to 11. We find that efficient recoupling can be achieved for values n⩾7, provided that the (13)C nutation frequency is on the order of 100kHz or greater. The decoupling-field dependence was investigated and explicit heteronuclear decoupling interference conditions identified. The major determinant of DQ filtering efficiency is the decoupling interference between (13)C and (1)H fields. For (13)C nutation frequencies greater than 75kHz, optimal performance is observed without an applied (1)H field. At spinning rates exceeding 20kHz, symmetry conditions as low as n=3 were found to perform adequately.

  14. Efficient dipolar double quantum filtering under magic angle spinning without a 1H decoupling field

    NASA Astrophysics Data System (ADS)

    Courtney, Joseph M.; Rienstra, Chad M.

    2016-08-01

    We present a systematic study of dipolar double quantum (DQ) filtering in 13C-labeled organic solids over a range of magic-angle spinning rates, using the SPC-n recoupling sequence element with a range of n symmetry values from 3 to 11. We find that efficient recoupling can be achieved for values n ⩾ 7, provided that the 13C nutation frequency is on the order of 100 kHz or greater. The decoupling-field dependence was investigated and explicit heteronuclear decoupling interference conditions identified. The major determinant of DQ filtering efficiency is the decoupling interference between 13C and 1H fields. For 13C nutation frequencies greater than 75 kHz, optimal performance is observed without an applied 1H field. At spinning rates exceeding 20 kHz, symmetry conditions as low as n = 3 were found to perform adequately.

  15. Efficient dipolar double quantum filtering under magic angle spinning without a (1)H decoupling field.

    PubMed

    Courtney, Joseph M; Rienstra, Chad M

    2016-08-01

    We present a systematic study of dipolar double quantum (DQ) filtering in (13)C-labeled organic solids over a range of magic-angle spinning rates, using the SPC-n recoupling sequence element with a range of n symmetry values from 3 to 11. We find that efficient recoupling can be achieved for values n⩾7, provided that the (13)C nutation frequency is on the order of 100kHz or greater. The decoupling-field dependence was investigated and explicit heteronuclear decoupling interference conditions identified. The major determinant of DQ filtering efficiency is the decoupling interference between (13)C and (1)H fields. For (13)C nutation frequencies greater than 75kHz, optimal performance is observed without an applied (1)H field. At spinning rates exceeding 20kHz, symmetry conditions as low as n=3 were found to perform adequately. PMID:27314744

  16. Single-Quantum Coherence Filter for Strongly Coupled Spin Systems for Localized 1H NMR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Trabesinger, Andreas H.; Mueller, D. Christoph; Boesiger, Peter

    2000-08-01

    A pulse sequence for localized in vivo1H NMR spectroscopy is presented, which selectively filters single-quantum coherence built up by strongly coupled spin systems. Uncoupled and weakly coupled spin systems do not contribute to the signal output. Analytical calculations using a product operator description of the strongly coupled AB spin system as well as in vitro tests demonstrate that the proposed filter produces a signal output for a strongly coupled AB spin system, whereas the resonances of a weakly coupled AX spin system and of uncoupled spins are widely suppressed. As a potential application, the detection of the strongly coupled AA‧BB‧ spin system of taurine at 1.5 T is discussed.

  17. Evaluation of multiple sclerosis by 1H spectroscopic imaging at 4.1 T.

    PubMed

    Pan, J W; Hetherington, H P; Vaughan, J T; Mitchell, G; Pohost, G M; Whitaker, J N

    1996-07-01

    The authors report on high-field (4.1 T) magnetic resonance 1H spectroscopic imaging studies on eight patients with relapsing remitting multiple sclerosis (mean expanded disability status scale (EDSS) 1.0) and eight normal controls. Using T1-weighted imaging to determine lesion position, the authors found the ratios of choline/N-acetyl (NA) compounds and creatine/NA were increased significantly in the multiple sclerosis (MS) patients relative to controls in lesioned tissue, adjacent to lesion, far removed from lesions as well as in periventricular tissue. The gray matter creatine/NA was mildly increased (P < 0.01) in the MS patients, whereas the elevated gray-matter ratio of choline/NA was of borderline significance (P = 0.13). A more detailed comparison of white-matter and mean gray-matter metabolite values indicates that creatine is increased greatest in areas far from lesions. This is in contrast to choline, which was greatest in lesions, and NA, which was smallest in lesions. It is postulated that the creatine increase may reflect an astrocytic (gliotic) or oligodendrocytic remyelinating process. The increased choline most likely reflects varying levels of inflammation and membrane turnover, whereas the NA decrease is representative of axonal dysfunction or loss. PMID:8795023

  18. 1H-NMR analysis provides a metabolomic profile of patients with multiple sclerosis

    PubMed Central

    Cocco, Eleonora; Murgia, Federica; Lorefice, Lorena; Barberini, Luigi; Poddighe, Simone; Frau, Jessica; Fenu, Giuseppe; Coghe, Giancarlo; Murru, Maria Rita; Murru, Raffaele; Del Carratore, Francesco; Atzori, Luigi

    2015-01-01

    Objective: To investigate the metabolomic profiles of patients with multiple sclerosis (MS) and to define the metabolic pathways potentially related to MS pathogenesis. Methods: Plasma samples from 73 patients with MS (therapy-free for at least 90 days) and 88 healthy controls (HC) were analyzed by 1H-NMR spectroscopy. Data analysis was conducted with principal components analysis followed by a supervised analysis (orthogonal partial least squares discriminant analysis [OPLS-DA]). The metabolites were identified and quantified using Chenomx software, and the receiver operating characteristic (ROC) curves were calculated. Results: The model obtained with the OPLS-DA identified predictive metabolic differences between the patients with MS and HC (R2X = 0.615, R2Y = 0.619, Q2 = 0.476; p < 0.001). The differential metabolites included glucose, 5-OH-tryptophan, and tryptophan, which were lower in the MS group, and 3-OH-butyrate, acetoacetate, acetone, alanine, and choline, which were higher in the MS group. The suitability of the model was evaluated using an external set of samples. The values returned by the model were used to build the corresponding ROC curve (area under the curve of 0.98). Conclusion: NMR metabolomic analysis was able to discriminate different metabolic profiles in patients with MS compared with HC. With the exception of choline, the main metabolic changes could be connected to 2 different metabolic pathways: tryptophan metabolism and energy metabolism. Metabolomics appears to represent a promising noninvasive approach for the study of MS. PMID:26740964

  19. MULTIPLE-QUANTUM NMR IN SOLIDS

    SciTech Connect

    Yen, Y-S.

    1982-11-01

    Time domain multiple-quantum (MQ) nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for spectral simplification and for providing new information on molecular dynamics. In this thesis, applications of MQ NMR are presented and show distinctly the advantages of this method over the conventional single-quantum NMR. Chapter 1 introduces the spin Hamiltonians, the density matrix formalism and some basic concepts of MQ NMR spectroscopy. In chapter 2, {sup 14}N double-quantum coherence is observed with high sensitivity in isotropic solution, using only the magnetization of bound protons. Spin echoes are used to obtain the homogeneous double-quantum spectrum and to suppress a large H{sub 2}O solvent signal. Chapter 3 resolves the main difficulty in observing high MQ transitions in solids. Due to the profusion of spin transitions in a solid, individual lines are unresolved. Excitation and detection of high quantum transitions by normal schemes are thus difficult. To ensure that overlapping lines add constructively and thereby to enhance sensitivity, time-reversal pulse sequences are used to generate all lines in phase. Up to 22-quantum {sup 1}H absorption in solid adamantane is observed. A time dependence study shows an increase in spin correlations as the excitation time increased. In chapter 4, a statistical theory of MQ second moments is developed for coupled spins of spin I = 1/2. The model reveals that the ratio of the average dipolar coupling to the rms value largely determines the dependence of second moments on the number of quanta. The results of this model are checked against computer-calculated and experimental second moments, and show good agreement. A simple scheme is proposed in chapter 5 for sensitivity improvement in a MQ experiment. The scheme involves acquiring all of the signal energy available in the detection period by applying pulsed spinlocking and sampling between pulses. Using this technique on polycrystalline adamantane, a large

  20. 1H and 13C NMR studies of glycine in anisotropic media: Double-quantum transitions and the effects of chiral interactions

    NASA Astrophysics Data System (ADS)

    Naumann, Christoph; Kuchel, Philip W.

    2011-07-01

    The 1H NMR spectrum of glycine in stretched gelatin gel and in cromolyn liquid crystal displays a well-resolved doublet due to 1H- 1H dipolar interaction. Multiple spectra were obtained within a wide range of offset frequencies of partially saturating radio-frequency (RF) radiation to generate steady-state irradiation envelopes or z-spectra of glycine. Maximal suppression of the doublet occurred when the irradiation was applied exactly at the centre frequency, between the two glycine peaks. This phenomenon is due to double-quantum transitions and is similar to our previous work on quadrupolar nuclei 2H (HDO) and 23Na +. When the 13C isotopomer glycine-2- 13C was used, the same effect was found in twice, split by 1JCH + 2 DCH. Additional signals in 1H and 13C NMR due to prochiral-chiral interactions were found when glycine-2- 13C was dissolved in chiral anisotropic gelatin and κ-carrageenan gels. The NMR spectra were successfully simulated assuming a 2JHH coupling constant of -16.5 Hz and two distinct dipolar coupling constants for the - 13CH 2- group ( DC,HA, and DC,HB).

  1. Quantum internet using code division multiple access.

    PubMed

    Zhang, Jing; Liu, Yu-xi; Ozdemir, Sahin Kaya; Wu, Re-Bing; Gao, Feifei; Wang, Xiang-Bin; Yang, Lan; Nori, Franco

    2013-01-01

    A crucial open problem inS large-scale quantum networks is how to efficiently transmit quantum data among many pairs of users via a common data-transmission medium. We propose a solution by developing a quantum code division multiple access (q-CDMA) approach in which quantum information is chaotically encoded to spread its spectral content, and then decoded via chaos synchronization to separate different sender-receiver pairs. In comparison to other existing approaches, such as frequency division multiple access (FDMA), the proposed q-CDMA can greatly increase the information rates per channel used, especially for very noisy quantum channels.

  2. Quantum internet using code division multiple access

    PubMed Central

    Zhang, Jing; Liu, Yu-xi; Özdemir, Şahin Kaya; Wu, Re-Bing; Gao, Feifei; Wang, Xiang-Bin; Yang, Lan; Nori, Franco

    2013-01-01

    A crucial open problem inS large-scale quantum networks is how to efficiently transmit quantum data among many pairs of users via a common data-transmission medium. We propose a solution by developing a quantum code division multiple access (q-CDMA) approach in which quantum information is chaotically encoded to spread its spectral content, and then decoded via chaos synchronization to separate different sender-receiver pairs. In comparison to other existing approaches, such as frequency division multiple access (FDMA), the proposed q-CDMA can greatly increase the information rates per channel used, especially for very noisy quantum channels. PMID:23860488

  3. Electronic structure of (1e,1h) states of carbon nanotube quantum dots

    NASA Astrophysics Data System (ADS)

    Osika, E. N.; Szafran, B.

    2016-04-01

    We provide an atomistic tight-binding description of a few carriers confined in ambipolar (n -p ) double quantum dots defined in a semiconducting carbon nanotube. We focus our attention on the charge configuration in which Pauli blockade of the current flow is observed [F. Pei et al., Nat. Nanotechnol. 7, 630 (2012), 10.1038/nnano.2012.160; E. A. Laird et al., Nat. Nanotechnol. 8, 565 (2013), 10.1038/nnano.2013.140] with a single excess electron in the n dot and a single hole in the p dot. We use the configuration interaction approach to determine the spin-valley structure of the states near the neutrality point and discuss its consequences for the interdot exchange interaction, the degeneracy of the energy spectrum, and the symmetry of the confined states. We calculate the transition energies lifting the Pauli blockade and analyze their dependence on the magnetic field vector. Furthermore, we introduce bending of the nanotube and demonstrate its influence on the transition energy spectra. The best qualitative agreement with the experimental data is observed for nanotubes deflected in the gated areas in which the carrier confinement is induced.

  4. Quantum hyperparallel algorithm for matrix multiplication.

    PubMed

    Zhang, Xin-Ding; Zhang, Xiao-Ming; Xue, Zheng-Yuan

    2016-01-01

    Hyperentangled states, entangled states with more than one degree of freedom, are considered as promising resource in quantum computation. Here we present a hyperparallel quantum algorithm for matrix multiplication with time complexity O(N(2)), which is better than the best known classical algorithm. In our scheme, an N dimensional vector is mapped to the state of a single source, which is separated to N paths. With the assistance of hyperentangled states, the inner product of two vectors can be calculated with a time complexity independent of dimension N. Our algorithm shows that hyperparallel quantum computation may provide a useful tool in quantum machine learning and "big data" analysis. PMID:27125586

  5. Quantum hyperparallel algorithm for matrix multiplication

    NASA Astrophysics Data System (ADS)

    Zhang, Xin-Ding; Zhang, Xiao-Ming; Xue, Zheng-Yuan

    2016-04-01

    Hyperentangled states, entangled states with more than one degree of freedom, are considered as promising resource in quantum computation. Here we present a hyperparallel quantum algorithm for matrix multiplication with time complexity O(N2), which is better than the best known classical algorithm. In our scheme, an N dimensional vector is mapped to the state of a single source, which is separated to N paths. With the assistance of hyperentangled states, the inner product of two vectors can be calculated with a time complexity independent of dimension N. Our algorithm shows that hyperparallel quantum computation may provide a useful tool in quantum machine learning and “big data” analysis.

  6. Time-domain multiple-quantum NMR

    SciTech Connect

    Weitekamp, D.P.

    1982-11-01

    The development of time-domain multiple-quantum nuclear magnetic resonance is reviewed through mid 1982 and some prospects for future development are indicated. Particular attention is given to the problem of obtaining resolved, interpretable, many-quantum spectra for anisotropic magnetically isolated systems of coupled spins. New results are presented on a number of topics including the optimization of multiple-quantum-line intensities, analysis of noise in two-dimensional spectroscopy, and the use of order-selective excitation for cross polarization between nuclear-spin species.

  7. Quantum hyperparallel algorithm for matrix multiplication

    PubMed Central

    Zhang, Xin-Ding; Zhang, Xiao-Ming; Xue, Zheng-Yuan

    2016-01-01

    Hyperentangled states, entangled states with more than one degree of freedom, are considered as promising resource in quantum computation. Here we present a hyperparallel quantum algorithm for matrix multiplication with time complexity O(N2), which is better than the best known classical algorithm. In our scheme, an N dimensional vector is mapped to the state of a single source, which is separated to N paths. With the assistance of hyperentangled states, the inner product of two vectors can be calculated with a time complexity independent of dimension N. Our algorithm shows that hyperparallel quantum computation may provide a useful tool in quantum machine learning and “big data” analysis. PMID:27125586

  8. Infrared Multiple-Quantum-Well Phototransistor

    NASA Technical Reports Server (NTRS)

    Borenstain, Shmuel I.

    1992-01-01

    Proposed npn AlxGa1-xAs phototransistor incorporates multiple-quantum-well (MQW) infrared photodetector. Has n-doped contacts and is embedded between p-doped base region and n-doped collector region of transistor. Photocurrent amplified, and dark current suppressed.

  9. Selectivity in multiple quantum nuclear magnetic resonance

    SciTech Connect

    Warren, W.S.

    1980-11-01

    The observation of multiple-quantum nuclear magnetic resonance transitions in isotropic or anisotropic liquids is shown to give readily interpretable information on molecular configurations, rates of motional processes, and intramolecular interactions. However, the observed intensity of high multiple-quantum transitions falls off dramatically as the number of coupled spins increases. The theory of multiple-quantum NMR is developed through the density matrix formalism, and exact intensities are derived for several cases (isotropic first-order systems and anisotropic systems with high symmetry) to shown that this intensity decrease is expected if standard multiple-quantum pulse sequences are used. New pulse sequences are developed which excite coherences and produce population inversions only between selected states, even though other transitions are simultaneously resonant. One type of selective excitation presented only allows molecules to absorb and emit photons in groups of n. Coherent averaging theory is extended to describe these selective sequences, and to design sequences which are selective to arbitrarily high order in the Magnus expansion. This theory and computer calculations both show that extremely good selectivity and large signal enhancements are possible.

  10. Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: application to 1H NMR of nematic liquid crystals.

    PubMed

    Segnorile, Héctor H; Zamar, Ricardo C

    2011-12-28

    Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the system-environment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermal-contact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance ((1)H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by

  11. Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: application to 1H NMR of nematic liquid crystals.

    PubMed

    Segnorile, Héctor H; Zamar, Ricardo C

    2011-12-28

    Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the system-environment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermal-contact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance ((1)H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by

  12. Photovoltaic driven multiple quantum well optical modulator

    NASA Technical Reports Server (NTRS)

    Maserjian, Joseph (Inventor)

    1990-01-01

    Multiple quantum well (MQW) structures (12) are utilized to provide real-time, reliable, high-performance, optically-addressed spatial-light modulators (SLM) (10). The optically-addressed SLM comprises a vertical stack of quantum well layers (12a) within the penetration depth of an optical write signal 18, a plurality of space charge barriers (12b) having predetermined tunneling times by control of doping and thickness. The material comprising the quantum well layers has a lower bandgap than that of the space charge barrier layers. The write signal modulates a read signal (20). The modulation sensitivity of the device is high and no external voltage source is required. In a preferred embodiment, the SLM having interleaved doped semiconductor layers for driving the MQW photovoltaically is characterized by the use of a shift analogous to the Moss-Burnstein shift caused by the filling of two-dimensional states in the multiple quantum wells, thus allowing high modulation sensitivity in very narrow wells. Arrays (30) may be formed with a plurality of the modulators.

  13. Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors

    PubMed Central

    Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Zhang, Xiao-Mei

    2016-01-01

    Summary For the first time, a catalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones was achieved with a chiral bifunctional amine-thiourea as a catalyst possessing multiple hydrogen-bond donors. With this developed method, a range of 3-hydroxy-3-nitromethyl-1H-pyrrol-2(3H)-ones bearing quaternary stereocenters were obtained in acceptable yield (up to 75%) and enantioselectivity (up to 73% ee). PMID:26977188

  14. Measurement of longitudinal relaxation times in crowded 1H NMR spectra using one- and two-dimensional maximum quantum (MAXY) NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Maili; Ye, Chaohui; Farrant, R. Duncan; Nicholson, Jeremy K.; Lindon, John C.

    Methods for measuring longitudinal relaxation times of protons in heavily overlapped 1H NMR spectra are introduced and exemplified using a solution of cholesteryl acetate. The methods are based on 1-dimensional and 2-dimensional maximum quantum NMR spectroscopy (MAXY), which makes possible the selective detection of CH, CH2 and CH31H NMR resonances. A modification of the BIRD pulse sequence to achieve selective inversion of protons bonded to either 12C or 13C is given. The approach should find application in studies of molecular dynamics where isotopic enrichment is not possible and the level of available sample dictates the use of 1H NMR spectroscopy.

  15. Spin-orbit interaction in multiple quantum wells

    SciTech Connect

    Hao, Ya-Fei

    2015-01-07

    In this paper, we investigate how the structure of multiple quantum wells affects spin-orbit interactions. To increase the interface-related Rashba spin splitting and the strength of the interface-related Rashba spin-orbit interaction, we designed three kinds of multiple quantum wells. We demonstrate that the structure of the multiple quantum wells strongly affected the interface-related Rashba spin-orbit interaction, increasing the interface-related Rashba spin splitting to up to 26% larger in multiple quantum wells than in a stepped quantum well. We also show that the cubic Dresselhaus spin-orbit interaction similarly influenced the spin relaxation time of multiple quantum wells and that of a stepped quantum well. The increase in the interface-related Rashba spin splitting originates from the relationship between interface-related Rashba spin splitting and electron probability density. Our results suggest that multiple quantum wells can be good candidates for spintronic devices.

  16. Semidirect Products of C*-Quantum Groups: Multiplicative Unitaries Approach

    NASA Astrophysics Data System (ADS)

    Meyer, Ralf; Roy, Sutanu; Woronowicz, Stanisław Lech

    2016-08-01

    C*-quantum groups with projection are the noncommutative analogues of semidirect products of groups. Radford's Theorem about Hopf algebras with projection suggests that any C*-quantum group with projection decomposes uniquely into an ordinary C*-quantum group and a "braided" C*-quantum group. We establish this on the level of manageable multiplicative unitaries.

  17. Improving the resolution in proton-detected through-space heteronuclear multiple quantum correlation NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Shen, Ming; Trébosc, J.; Lafon, O.; Pourpoint, F.; Hu, Bingwen; Chen, Qun; Amoureux, J.-P.

    2014-08-01

    Connectivities and proximities between protons and low-gamma nuclei can be probed in solid-state NMR spectroscopy using two-dimensional (2D) proton-detected heteronuclear correlation, through Heteronuclear Multiple Quantum Correlation (HMQC) pulse sequence. The indirect detection via protons dramatically enhances the sensitivity. However, the spectra are often broadened along the indirect F1 dimension by the decay of heteronuclear multiple-quantum coherences under the strong 1H-1H dipolar couplings. This work presents a systematic comparison of the performances of various decoupling schemes during the indirect t1 evolution period of dipolar-mediated HMQC (D-HMQC) experiment. We demonstrate that 1H-1H dipolar decoupling sequences during t1, such as symmetry-based schemes, phase-modulated Lee-Goldburg (PMLG) and Decoupling Using Mind-Boggling Optimization (DUMBO), provide better resolution than continuous wave 1H irradiation. We also report that high resolution requires the preservation of 1H isotropic chemical shifts during the decoupling sequences. When observing indirectly broad spectra presenting numerous spinning sidebands, the D-HMQC sequence must be fully rotor-synchronized owing to the rotor-synchronized indirect sampling and dipolar recoupling sequence employed. In this case, we propose a solution to reduce artefact sidebands caused by the modulation of window delays before and after the decoupling application during the t1 period. Moreover, we show that 1H-1H dipolar decoupling sequence using Smooth Amplitude Modulation (SAM) minimizes the t1-noise. The performances of the various decoupling schemes are assessed via numerical simulations and compared to 2D 1H-{13C} D-HMQC experiments on [U-13C]-L-histidineṡHClṡH2O at various magnetic fields and Magic Angle spinning (MAS) frequencies. Great resolution and sensitivity enhancements resulting from decoupling during t1 period enable the detection of heteronuclear correlation between aliphatic protons and

  18. Multiple network alignment on quantum computers

    NASA Astrophysics Data System (ADS)

    Daskin, Anmer; Grama, Ananth; Kais, Sabre

    2014-12-01

    Comparative analyses of graph-structured datasets underly diverse problems. Examples of these problems include identification of conserved functional components (biochemical interactions) across species, structural similarity of large biomolecules, and recurring patterns of interactions in social networks. A large class of such analyses methods quantify the topological similarity of nodes across networks. The resulting correspondence of nodes across networks, also called node alignment, can be used to identify invariant subgraphs across the input graphs. Given graphs as input, alignment algorithms use topological information to assign a similarity score to each -tuple of nodes, with elements (nodes) drawn from each of the input graphs. Nodes are considered similar if their neighbors are also similar. An alternate, equivalent view of these network alignment algorithms is to consider the Kronecker product of the input graphs and to identify high-ranked nodes in the Kronecker product graph. Conventional methods such as PageRank and HITS (Hypertext-Induced Topic Selection) can be used for this purpose. These methods typically require computation of the principal eigenvector of a suitably modified Kronecker product matrix of the input graphs. We adopt this alternate view of the problem to address the problem of multiple network alignment. Using the phase estimation algorithm, we show that the multiple network alignment problem can be efficiently solved on quantum computers. We characterize the accuracy and performance of our method and show that it can deliver exponential speedups over conventional (non-quantum) methods.

  19. Orally Bioavailable 6-Chloro-7-methoxy-4(1H)-quinolones Efficacious against Multiple Stages of Plasmodium

    PubMed Central

    2015-01-01

    The continued proliferation of malaria throughout temperate and tropical regions of the world has promoted a push for more efficacious treatments to combat the disease. Unfortunately, more recent remedies such as artemisinin combination therapies have been rendered less effective due to developing parasite resistance, and new drugs are required that target the parasite in the liver to support the disease elimination efforts. Research was initiated to revisit antimalarials developed in the 1940s and 1960s that were deemed unsuitable for use as therapeutic agents as a result of poor understanding of both physicochemical properties and parasitology. Structure–activity and structure–property relationship studies were conducted to generate a set of compounds with the general 6-chloro-7-methoxy-2-methyl-4(1H)-quinolone scaffold which were substituted at the 3-position with a variety of phenyl moieties possessing various properties. Extensive physicochemical evaluation of the quinolone series was carried out to downselect the most promising 4(1H)-quinolones, 7, 62, 66, and 67, which possessed low-nanomolar EC50 values against W2 and TM90-C2B as well as improved microsomal stability. Additionally, in vivo Thompson test results using Plasmodium berghei in mice showed that these 4(1H)-quinolones were efficacious for the reduction of parasitemia at >99% after 6 days. PMID:25148516

  20. Multiple-state quantum Otto engine, 1D box system

    SciTech Connect

    Latifah, E.; Purwanto, A.

    2014-03-24

    Quantum heat engines produce work using quantum matter as their working substance. We studied adiabatic and isochoric processes and defined the general force according to quantum system. The processes and general force are used to evaluate a quantum Otto engine based on multiple-state of one dimensional box system and calculate the efficiency. As a result, the efficiency depends on the ratio of initial and final width of system under adiabatic processes.

  1. Synthesis, conformational, spectroscopic and chemical reactivity analysis of 2-cyano-3-(1H-pyrrol-2-yl)acrylohydrazide using experimental and quantum chemical approaches

    NASA Astrophysics Data System (ADS)

    Rawat, Poonam; Singh, R. N.

    2015-02-01

    This paper describes the synthesis, spectroscopic (1H and 13C NMR, UV-Visible, FT-IR and ESI Mass), conformational analysis, chemical reactivity and non-linear optical (NLO) properties of newly synthesized pyrrole derivative 2-cyano-3-(1H-pyrrol-2-yl)acrylohydrazide (2CPA) C8H8N4O using experimental and quantum chemical techniques. The presence of signal at δ 8.010 ppm due to vinyl proton as well as NH and NH2 protons signals at 11.054 and 2.499 ppm in experimental 1H NMR spectrum indicate that 2CPA contain sbnd CHdbnd CCNsbnd and sbnd NHsbnd NH2 frame. The combined experimental and theoretical symmetric (3194 cm-1) and asymmetric (3221 cm-1) stretching wavenumber analysis confirms free NH2 group in the solid phase FT-IR spectrum of the synthesized compound. The interaction energies of dimer formation using density functional theory (DFT) and Quantum theory of Atoms in Molecules (QTAIM) calculations are found to be 20.210, 19.683 kcal/mol, respectively. The maximum values of the electrophilic reactivity descriptors at C6 indicate that this site is more prone to nucleophilic attack and favoring the formation of heterocyclic derivatives. A natural bond orbital (NBOs) analysis has been carried out to investigate intramolecular charge transfer, conjugative and hyperconjugative interactions within molecule. The calculated first hyperpolarizability (β0) of 2CPA, indicates that investigated molecule will show non-linear optical response and might be used as non-linear optical (NLO) material.

  2. Quantification of xylooligomers in hot water wood extract by 1H-13C heteronuclear single quantum coherence NMR.

    PubMed

    Yan, Jipeng; Kiemle, David; Liu, Shijie

    2015-03-01

    A new method that employs 2D-HSQCNMRwasdeveloped to determine xylooligomer concentrations in the hot water extracts of Paulownia elongata, aspen, sugar maple, southern hardwood mixture, and willow woodchips. Equations for computing oligomer concentrations calculation were developed based on HSQC corresponding resonance integrals of xylooligomer C1H1 and monomeric sugar standard curves. The degree of polymerization (DP) of xylooligomers in the hot water extract was computed by equation obtained from a series of xylooligomer standard solutions with DPs that ranged from 2 to 6. Another group of hot water wood extract that is served as a control group was hydrolyzed by 4% sulfuric acid at 121 °C for 60 min in order to convert all xylooligomer into xylose. As 2D-HSQC resonance response is different for acetylated xylo-units, as compared with non-acetylated units, proton NMR was used to calibrate the acetylated xylooligomer concentration. Xylooligomer concentrations determined from HSQC compared fairly well with data after hydrolysis. PMID:25498715

  3. Quantification of xylooligomers in hot water wood extract by 1H-13C heteronuclear single quantum coherence NMR.

    PubMed

    Yan, Jipeng; Kiemle, David; Liu, Shijie

    2015-03-01

    A new method that employs 2D-HSQCNMRwasdeveloped to determine xylooligomer concentrations in the hot water extracts of Paulownia elongata, aspen, sugar maple, southern hardwood mixture, and willow woodchips. Equations for computing oligomer concentrations calculation were developed based on HSQC corresponding resonance integrals of xylooligomer C1H1 and monomeric sugar standard curves. The degree of polymerization (DP) of xylooligomers in the hot water extract was computed by equation obtained from a series of xylooligomer standard solutions with DPs that ranged from 2 to 6. Another group of hot water wood extract that is served as a control group was hydrolyzed by 4% sulfuric acid at 121 °C for 60 min in order to convert all xylooligomer into xylose. As 2D-HSQC resonance response is different for acetylated xylo-units, as compared with non-acetylated units, proton NMR was used to calibrate the acetylated xylooligomer concentration. Xylooligomer concentrations determined from HSQC compared fairly well with data after hydrolysis.

  4. Efficient Quantum Transmission in Multiple-Source Networks

    PubMed Central

    Luo, Ming-Xing; Xu, Gang; Chen, Xiu-Bo; Yang, Yi-Xian; Wang, Xiaojun

    2014-01-01

    A difficult problem in quantum network communications is how to efficiently transmit quantum information over large-scale networks with common channels. We propose a solution by developing a quantum encoding approach. Different quantum states are encoded into a coherent superposition state using quantum linear optics. The transmission congestion in the common channel may be avoided by transmitting the superposition state. For further decoding and continued transmission, special phase transformations are applied to incoming quantum states using phase shifters such that decoders can distinguish outgoing quantum states. These phase shifters may be precisely controlled using classical chaos synchronization via additional classical channels. Based on this design and the reduction of multiple-source network under the assumption of restricted maximum-flow, the optimal scheme is proposed for specially quantized multiple-source network. In comparison with previous schemes, our scheme can greatly increase the transmission efficiency. PMID:24691590

  5. Efficient Quantum Transmission in Multiple-Source Networks

    NASA Astrophysics Data System (ADS)

    Luo, Ming-Xing; Xu, Gang; Chen, Xiu-Bo; Yang, Yi-Xian; Wang, Xiaojun

    2014-04-01

    A difficult problem in quantum network communications is how to efficiently transmit quantum information over large-scale networks with common channels. We propose a solution by developing a quantum encoding approach. Different quantum states are encoded into a coherent superposition state using quantum linear optics. The transmission congestion in the common channel may be avoided by transmitting the superposition state. For further decoding and continued transmission, special phase transformations are applied to incoming quantum states using phase shifters such that decoders can distinguish outgoing quantum states. These phase shifters may be precisely controlled using classical chaos synchronization via additional classical channels. Based on this design and the reduction of multiple-source network under the assumption of restricted maximum-flow, the optimal scheme is proposed for specially quantized multiple-source network. In comparison with previous schemes, our scheme can greatly increase the transmission efficiency.

  6. Quantum cosmological perturbations of multiple fluids

    NASA Astrophysics Data System (ADS)

    Peter, Patrick; Pinto-Neto, N.; Vitenti, Sandro D. P.

    2016-01-01

    The formalism to treat quantization and evolution of cosmological perturbations of multiple fluids is described. We first construct the Lagrangian for both the gravitational and matter parts, providing the necessary relevant variables and momenta leading to the quadratic Hamiltonian describing linear perturbations. The final Hamiltonian is obtained without assuming any equations of motions for the background variables. This general formalism is applied to the special case of two fluids, having in mind the usual radiation and matter mix which made most of our current Universe history. Quantization is achieved using an adiabatic expansion of the basis functions. This allows for an unambiguous definition of a vacuum state up to the given adiabatic order. Using this basis, we show that particle creation is well defined for a suitable choice of vacuum and canonical variables, so that the time evolution of the corresponding quantum fields is unitary. This provides constraints for setting initial conditions for an arbitrary number of fluids and background time evolution. We also show that the common choice of variables for quantization can lead to an ill-defined vacuum definition. Our formalism is not restricted to the case where the coupling between fields is small, but is only required to vary adiabatically with respect to the ultraviolet modes, thus paving the way to consistent descriptions of general models not restricted to single-field (or fluid).

  7. Quantum broadcasting multiple blind signature with constant size

    NASA Astrophysics Data System (ADS)

    Xiao, Min; Li, Zhenli

    2016-09-01

    Using quantum homomorphic signature in quantum network, we propose a quantum broadcasting multiple blind signature scheme. Different from classical signature and current quantum signature schemes, the multi-signature proposed in our scheme is not generated by simply putting the individual signatures together, but by aggregating the individual signatures based on homomorphic property. Therefore, the size of the multi-signature is constant. Furthermore, based on a wide range of investigation for the security of existing quantum signature protocols, our protocol is designed to resist possible forgery attacks against signature and message from the various attack sources and disavowal attacks from participants.

  8. Quantum broadcasting multiple blind signature with constant size

    NASA Astrophysics Data System (ADS)

    Xiao, Min; Li, Zhenli

    2016-06-01

    Using quantum homomorphic signature in quantum network, we propose a quantum broadcasting multiple blind signature scheme. Different from classical signature and current quantum signature schemes, the multi-signature proposed in our scheme is not generated by simply putting the individual signatures together, but by aggregating the individual signatures based on homomorphic property. Therefore, the size of the multi-signature is constant. Furthermore, based on a wide range of investigation for the security of existing quantum signature protocols, our protocol is designed to resist possible forgery attacks against signature and message from the various attack sources and disavowal attacks from participants.

  9. Secure Multiparty Quantum Computation for Summation and Multiplication.

    PubMed

    Shi, Run-hua; Mu, Yi; Zhong, Hong; Cui, Jie; Zhang, Shun

    2016-01-01

    As a fundamental primitive, Secure Multiparty Summation and Multiplication can be used to build complex secure protocols for other multiparty computations, specially, numerical computations. However, there is still lack of systematical and efficient quantum methods to compute Secure Multiparty Summation and Multiplication. In this paper, we present a novel and efficient quantum approach to securely compute the summation and multiplication of multiparty private inputs, respectively. Compared to classical solutions, our proposed approach can ensure the unconditional security and the perfect privacy protection based on the physical principle of quantum mechanics. PMID:26792197

  10. Secure Multiparty Quantum Computation for Summation and Multiplication

    PubMed Central

    Shi, Run-hua; Mu, Yi; Zhong, Hong; Cui, Jie; Zhang, Shun

    2016-01-01

    As a fundamental primitive, Secure Multiparty Summation and Multiplication can be used to build complex secure protocols for other multiparty computations, specially, numerical computations. However, there is still lack of systematical and efficient quantum methods to compute Secure Multiparty Summation and Multiplication. In this paper, we present a novel and efficient quantum approach to securely compute the summation and multiplication of multiparty private inputs, respectively. Compared to classical solutions, our proposed approach can ensure the unconditional security and the perfect privacy protection based on the physical principle of quantum mechanics. PMID:26792197

  11. Secure Multiparty Quantum Computation for Summation and Multiplication

    NASA Astrophysics Data System (ADS)

    Shi, Run-Hua; Mu, Yi; Zhong, Hong; Cui, Jie; Zhang, Shun

    2016-01-01

    As a fundamental primitive, Secure Multiparty Summation and Multiplication can be used to build complex secure protocols for other multiparty computations, specially, numerical computations. However, there is still lack of systematical and efficient quantum methods to compute Secure Multiparty Summation and Multiplication. In this paper, we present a novel and efficient quantum approach to securely compute the summation and multiplication of multiparty private inputs, respectively. Compared to classical solutions, our proposed approach can ensure the unconditional security and the perfect privacy protection based on the physical principle of quantum mechanics.

  12. Quantum filtering for multiple diffusive and Poissonian measurements

    NASA Astrophysics Data System (ADS)

    Emzir, Muhammad F.; Woolley, Matthew J.; Petersen, Ian R.

    2015-09-01

    We provide a rigorous derivation of a quantum filter for the case of multiple measurements being made on a quantum system. We consider a class of measurement processes which are functions of bosonic field operators, including combinations of diffusive and Poissonian processes. This covers the standard cases from quantum optics, where homodyne detection may be described as a diffusive process and photon counting may be described as a Poissonian process. We obtain a necessary and sufficient condition for any pair of such measurements taken at different output channels to satisfy a commutation relationship. Then, we derive a general, multiple-measurement quantum filter as an extension of a single-measurement quantum filter. As an application we explicitly obtain the quantum filter corresponding to homodyne detection and photon counting at the output ports of a beam splitter.

  13. Unambiguously determining the orthogonality of multiple quantum states

    NASA Astrophysics Data System (ADS)

    Pang, Shengshi; Wu, Shengjun

    2010-10-01

    In this article, we study an opposite problem of universal quantum state comparison, that is unambiguously determining whether multiple unknown quantum states from a Hilbert space are orthogonal or not. We show that no unambiguous quantum measurement can accomplish this task with a nonzero probability. Moreover, we extend the problem to a more general case, that is to compare how orthogonal multiple unknown quantum states are with a threshold, and it turns out that given any threshold this extended task is also impossible by any unambiguous quantum measurement except for a trivial case. It will be seen that the impossibility revealed in our problem is stronger than that in the universal quantum state comparison problem and distinct from those in the existing “no-go” theorems.

  14. Multiple Quantum NMR Investigations of Structure- Property Relationships in Synthetic and Aged Silicone Elastomers

    SciTech Connect

    Maxwell, R; Gjersing, E; Chinn, S; Herberg, J; Eastwood, E; Bowen, D; Stephens, T

    2006-09-27

    Complex engineering elastomeric materials are often characterized by a complex network structure obtained by crosslinking network chains with multiple chain lengths. Further, these networks are commonly filled with thixotropic reinforcing agents such as SiO{sub 2} or carbon black. Degradation of such materials often occurs via mechanisms that alter the fundamental network structure. In order to understand the effects of modifications of network structure and filler-polymer interaction on component performance, a series of model compounds have been studied by {sup 1}H multiple quantum NMR analysis and traditional mechanical property assessments. The {sup 1}H NMR data provides insight into the distribution of segmental dynamics that reveals insight into the changes in mechanical properties.

  15. Solution Structures of the Prototypical 18 kDa Translocator Protein Ligand, PK 11195, Elucidated with 1H/13C NMR Spectroscopy and Quantum Chemistry

    PubMed Central

    2012-01-01

    Eighteen kilodalton translocator protein (TSPO) is an important target for drug discovery and for clinical molecular imaging of brain and peripheral inflammatory processes. PK 11195 [1a; 1-(2-chlorophenyl)-N-methyl-(1-methylpropyl)-3-isoquinoline carboxamide] is the major prototypical high-affinity ligand for TSPO. Elucidation of the solution structure of 1a is of interest for understanding small-molecule ligand interactions with the lipophilic binding site of TSPO. Dynamic 1H/13C NMR spectroscopy of 1a revealed four quite stable but interconverting rotamers, due to amide bond and 2-chlorophenyl group rotation. These rotamers have been neglected in previous descriptions of the structure of 1a and of the binding of 1a to TSPO. Here, we used quantum chemistry at the level of B3LYP/6-311+G(2d,p) to calculate 13C and 1H chemical shifts for the rotamers of 1a and for the very weak TSPO ligand, N-desmethyl-PK 11195 (1b). These data, plus experimental NMR data, were then used to characterize the structures of rotamers of 1a and 1b in organic solution. Energy barriers for both the amide bond and 2′-chlorophenyl group rotation of 1a were determined from dynamic 1H NMR to be similar (ca.17 to 18 kcal/mol), and they compared well with those calculated at the level of B3LYP/6-31G*. Furthermore, the computed barrier for Z to E rotation is considerably lower in 1a(18.7 kcal/mol) than in 1b (25.4 kcal/mol). NMR (NOE) unequivocally demonstrated that the E rotamer of 1a is the more stable in solution by about 0.4 kcal/mol. These detailed structural findings will aid future TSPO ligand design and support the notion that TSPO prefers to bind ligands as amide E-rotamers. PMID:22860199

  16. Polarization quantum beat spectroscopy of HCF(A1A"). I. 19F and 1H hyperfine structure and Zeeman effect.

    PubMed

    Fan, Haiyan; Ionescu, Ionela; Xin, Ju; Reid, Scott A

    2004-11-01

    To further investigate the (19)F and (1)H nuclear hyperfine structure and Zeeman effect in the simplest singlet carbene, HCF, we recorded polarization quantum beat spectra (QBS) of the pure bending levels 2(0) (n) with n = 0-7 and combination bands 1(0) (1)2(0) (n) with n = 1-6 and 2(0) (n)3(0) (1) with n = 0-3 in the HCF A(1)A(")<--X(1)A(') system. The spectra were measured under jet-cooled conditions using a pulsed discharge source, both at zero field and under application of a weak magnetic field (<30 G). Analysis yielded the nuclear spin-rotation constants C(aa) and weak field Lande g(aa) factors. Consistent with a two-state model, the majority of observed vibrational levels exhibit a linear correlation of C(aa) and g(aa), and our analysis yielded effective (a) hyperfine constants for the (19)F and (1)H nuclei (in MHz) of 728(23) and 55(2), respectively. The latter was determined here owing to the high resolving power of QBS. The vibrational state selectivity of the (19)F hyperfine constants is discussed, and we suggest that the underlying Renner-Teller interaction may play an important role.

  17. Multiple-server Flexible Blind Quantum Computation in Networks

    NASA Astrophysics Data System (ADS)

    Kong, Xiaoqin; Li, Qin; Wu, Chunhui; Yu, Fang; He, Jinjun; Sun, Zhiyuan

    2016-06-01

    Blind quantum computation (BQC) can allow a client with limited quantum power to delegate his quantum computation to a powerful server and still keep his own data private. In this paper, we present a multiple-server flexible BQC protocol, where a client who only needs the ability of accessing qua ntum channels can delegate the computational task to a number of servers. Especially, the client's quantum computation also can be achieved even when one or more delegated quantum servers break down in networks. In other words, when connections to certain quantum servers are lost, clients can adjust flexibly and delegate their quantum computation to other servers. Obviously it is trivial that the computation will be unsuccessful if all servers are interrupted.

  18. Computer studies of multiple-quantum spin dynamics

    SciTech Connect

    Murdoch, J.B.

    1982-11-01

    The excitation and detection of multiple-quantum (MQ) transitions in Fourier transform NMR spectroscopy is an interesting problem in the quantum mechanical dynamics of spin systems as well as an important new technique for investigation of molecular structure. In particular, multiple-quantum spectroscopy can be used to simplify overly complex spectra or to separate the various interactions between a nucleus and its environment. The emphasis of this work is on computer simulation of spin-system evolution to better relate theory and experiment.

  19. Spatially selective heteronuclear multiple-quantum coherence (HMQC) spectroscopy for bio-molecular NMR studies

    PubMed Central

    Sathyamoorthy, Bharathwaj; Parish, David M.; Montelione, Gaetano T.; Xiao, Rong; Szyperski, Thomas

    2014-01-01

    Spatially selective heteronuclear multiple-quantum coherence (SS HMQC) NMR spectroscopy was devised for solution studies of proteins. Due to ‘time-staggered’ acquisition of free induction decays (FIDs) in different slices, SS HMQC allows one to employ long delays for longitudinal nuclear spin relaxation at high repetition rates for the acquisition of the FIDs. To also achieve high intrinsic sensitivity, SS HMQC was implemented by combing a single spatially selective 1H excitation pulse with non-selective 1H 180° pulses. High-quality spectra could be obtained within 66 seconds for a 7.6 kDa uniformly 13C,15N-labeled protein, and within 45 and 90 seconds for, respectively, two uniformly 2H,13C,15N-labeled but isoleucine, leucine and valine methyl group protonated proteins with molecular weights of 7.5 and 43 kDa. PMID:24789578

  20. Thermodynamic behavior of the binaries 1-butylpyridinium tetrafluoroborate with water and alkanols: their interpretation using 1H NMR spectroscopy and quantum-chemistry calculations.

    PubMed

    Vreekamp, Remko; Castellano, Desire; Palomar, José; Ortega, Juan; Espiau, Fernando; Fernández, Luís; Penco, Eduvigis

    2011-07-14

    Here we present experimental data of different properties for a set of binary mixtures composed of water or alkanols (methanol to butanol) with an ionic liquid (IL), butylpyridinium tetrafluoroborate [bpy][BF(4)]. Solubility data (x(IL),T) are presented for each of the mixtures, including water, which is found to have a small interval of compositions in IL, x(IL), with immiscibility. In each case, the upper critical solubility temperature (UCST) is determined and a correlation was observed between the UCST and the nature of the compounds in the mixtures. Miscibility curves establish the composition and temperature intervals where thermodynamic properties of the mixtures, such as enthalpies H(m)(E) and volumes V(m)(E), can be determined. Hence, at 298.15 and 318.15 K these can only be found with the first four alkanols. All mixing properties are correlated with a suitable equation ξ (x(IL),T,Y(m)(E) = 0. An analysis on the influence of the temperature in the properties is shown, likewise a comparison between the results obtained here and those of analogous mixtures, discussing the position of the -CH(3) group in the pyridinic ring. The (1)H NMR spectra are determined to analyze the molecular interactions present, especially those due to hydrogen bonds. Additional information about the molecular interactions and their influence on the mixing properties is obtained by quantum chemistry calculations. PMID:21648473

  1. Thermodynamic behavior of the binaries 1-butylpyridinium tetrafluoroborate with water and alkanols: their interpretation using 1H NMR spectroscopy and quantum-chemistry calculations.

    PubMed

    Vreekamp, Remko; Castellano, Desire; Palomar, José; Ortega, Juan; Espiau, Fernando; Fernández, Luís; Penco, Eduvigis

    2011-07-14

    Here we present experimental data of different properties for a set of binary mixtures composed of water or alkanols (methanol to butanol) with an ionic liquid (IL), butylpyridinium tetrafluoroborate [bpy][BF(4)]. Solubility data (x(IL),T) are presented for each of the mixtures, including water, which is found to have a small interval of compositions in IL, x(IL), with immiscibility. In each case, the upper critical solubility temperature (UCST) is determined and a correlation was observed between the UCST and the nature of the compounds in the mixtures. Miscibility curves establish the composition and temperature intervals where thermodynamic properties of the mixtures, such as enthalpies H(m)(E) and volumes V(m)(E), can be determined. Hence, at 298.15 and 318.15 K these can only be found with the first four alkanols. All mixing properties are correlated with a suitable equation ξ (x(IL),T,Y(m)(E) = 0. An analysis on the influence of the temperature in the properties is shown, likewise a comparison between the results obtained here and those of analogous mixtures, discussing the position of the -CH(3) group in the pyridinic ring. The (1)H NMR spectra are determined to analyze the molecular interactions present, especially those due to hydrogen bonds. Additional information about the molecular interactions and their influence on the mixing properties is obtained by quantum chemistry calculations.

  2. Remote Entanglement by Coherent Multiplication of Concurrent Quantum Signals.

    PubMed

    Roy, Ananda; Jiang, Liang; Stone, A Douglas; Devoret, Michel

    2015-10-01

    Concurrent remote entanglement of distant, noninteracting quantum entities is a crucial function for quantum information processing. In contrast with the existing protocols which employ the addition of signals to generate entanglement between two remote qubits, the continuous variable protocol we present is based on the multiplication of signals. This protocol can be straightforwardly implemented by a novel Josephson junction mixing circuit. Our scheme would be able to generate provable entanglement even in the presence of practical imperfections: finite quantum efficiency of detectors and undesired photon loss in current state-of-the-art devices.

  3. Capacity of multiple-input multiple-output quantum depolarizing channels

    NASA Astrophysics Data System (ADS)

    Xiao, Hailin; Ouyang, Shan

    2012-08-01

    Decoherence-free subspaces (DFS) are to utilize the symmetric properties of the interaction between the system and environment so that they can be tolerant against the effect of decoherence. In this paper, we propose multiple-input multiple-output (MIMO) scheme to drive a finite-dimensional quantum system into DFS. For quantum system, the scheme is not only immune to dephasing but also feasible with currently available technology. Motivated by Shannon mutual information, we derive the capacity of MIMO quantum depolarizing channels.

  4. Optimum testing of multiple hypotheses in quantum detection theory

    NASA Technical Reports Server (NTRS)

    Yuen, H. P.; Kennedy, R. S.; Lax, M.

    1975-01-01

    The problem of specifying the optimum quantum detector in multiple hypotheses testing is considered for application to optical communications. The quantum digital detection problem is formulated as a linear programming problem on an infinite-dimensional space. A necessary and sufficient condition is derived by the application of a general duality theorem specifying the optimum detector in terms of a set of linear operator equations and inequalities. Existence of the optimum quantum detector is also established. The optimality of commuting detection operators is discussed in some examples. The structure and performance of the optimal receiver are derived for the quantum detection of narrow-band coherent orthogonal and simplex signals. It is shown that modal photon counting is asymptotically optimum in the limit of a large signaling alphabet and that the capacity goes to infinity in the absence of a bandwidth limitation.

  5. Quantum Dot Solar Cells with Multiple Exciton Generation

    SciTech Connect

    Hanna, M. C.; Beard, M. C.; Johnson, J. C.; Murphy, J.; Ellingson, R. J.; Nozik, A. J.

    2005-11-01

    We have measured the quantum yield of the multiple exciton generation (MEG) process in quantum dots (QDs) of the lead-salt semiconductor family (PbSe, PbTe, and PbS) using fs pump-probe transient absorption measurements. Very high quantum yields (up to 300%) for charge carrier generation from MEG have been measured in all of the Pb-VI QDs. We have calculated the potential maximum performance of various MEG QD solar cells in the detailed balance limit. We examined a two-cell tandem PV device with singlet fission (SF), QD, and normal dye (N) absorbers in the nine possible series-connected combinations to compare the tandem combinations and identify the combinations with the highest theoretical efficiency. We also calculated the maximum efficiency of an idealized single-gap MEG QD solar cell with M multiplications and its performance under solar concentration.

  6. Analysis of the human brain in primary progressive multiple sclerosis with mapping of the spatial distributions using 1H MR spectroscopy and diffusion tensor imaging.

    PubMed

    Sijens, Paul E; Irwan, Roy; Potze, Jan Hendrik; Mostert, Jop P; De Keyser, Jacques; Oudkerk, Matthijs

    2005-08-01

    Primary progressive multiple sclerosis (ppMS; n=4) patients and controls (n=4) were examined by 1H magnetic resonance spectroscopy (MRS) and diffusion tensor imaging (DTI) in order to map choline (Cho), creatine and N-acetylaspartate (NAA), the fractional anisotropy (FA) and the apparent diffusion constant (ADC). After chemical shift imaging (point-resolved spectroscopy, repetition time/echo time 1,500 ms/135 ms) of a supraventricular volume of interest of 8x8x2 cm3 (64 voxels) MRS peak areas were matched to the results of DTI for the corresponding volume elements. Mean FA and NAA values were reduced in the ppMS patients (P<0.01, both) and the ADC increased (P<0.02). The spatial distribution of NAA showed strong correlation to ADC in both ppMS patients and controls (r =-0.74 and r= -0.70; P<0.00001, both), and weaker correlations to FA (r=0.49 and r=0.41; P<0.00001, all). FA and ADC also correlated significantly with Cho in patients and controls (P<0.00001, all). The relationship of Cho and NAA to the ADC and the FA and thus to the content of neuronal structures suggests that these metabolite signals essentially originate from axons (NAA) and the myelin sheath (Cho). This is of interest in view of previous reports in which Cho increases were associated with demyelination and the subsequent breakdown of neurons.

  7. Multiple-time states and multiple-time measurements in quantum mechanics

    SciTech Connect

    Aharonov, Yakir; Popescu, Sandu; Tollaksen, Jeff; Vaidman, Lev

    2009-05-15

    We discuss experimental situations that consist of multiple preparation and measurement stages. This leads us to an alternative approach to quantum mechanics. In particular, we introduce the idea of multitime quantum states which are the appropriate tools for describing these experimental situations. We also describe multitime measurements and discuss their relation to multitime states. A consequence of our formalism is to put states and operators on an equal footing. Finally we discuss the implications of our approach to quantum mechanics for the problem of the flow of time.

  8. Detection of electromagnetic radiation using micromechanical multiple quantum wells structures

    DOEpatents

    Datskos, Panagiotis G [Knoxville, TN; Rajic, Slobodan [Knoxville, TN; Datskou, Irene [Knoxville, TN

    2007-07-17

    An apparatus and method for detecting electromagnetic radiation employs a deflectable micromechanical apparatus incorporating multiple quantum wells structures. When photons strike the quantum-well structure, physical stresses are created within the sensor, similar to a "bimetallic effect." The stresses cause the sensor to bend. The extent of deflection of the sensor can be measured through any of a variety of conventional means to provide a measurement of the photons striking the sensor. A large number of such sensors can be arranged in a two-dimensional array to provide imaging capability.

  9. Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib.

    PubMed

    Spencer, John; Chowdhry, Babur Z; Hamid, Samiyah; Mendham, Andrew P; Male, Louise; Coles, Simon J; Hursthouse, Michael B

    2010-02-01

    The solid-state structures of a series of seven substituted 3-methylidene-1H-indol-2(3H)-one derivatives have been determined by single-crystal X-ray diffraction and are compared in detail. Six of the structures {(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2(3H)-one, C(13)H(10)N(2)O, (2a); (3Z)-3-(2-thienylmethylidene)-1H-indol-2(3H)-one, C(13)H(9)NOS, (2b); (3E)-3-(2-furylmethylidene)-1H-indol-2(3H)-one monohydrate, C(13)H(9)NO(2).H(2)O, (3a); 3-(1-methylethylidene)-1H-indol-2(3H)-one, C(11)H(11)NO, (4a); 3-cyclohexylidene-1H-indol-2(3H)-one, C(14)H(15)NO, (4c); and spiro[1,3-dioxane-2,3'-indolin]-2'-one, C(11)H(11)NO(3), (5)} display, as expected, intermolecular hydrogen bonding (N-H...O=C) between the 1H-indol-2(3H)-one units. However, methyl 3-(1-methylethylidene)-2-oxo-2,3-dihydro-1H-indole-1-carboxylate, C(13)H(13)NO(3), (4b), a carbamate analogue of (4a) lacking an N-H bond, displays no intermolecular hydrogen bonding. The structure of (4a) contains three molecules in the asymmetric unit, while (4b) and (4c) both contain two independent molecules. PMID:20124685

  10. Multiple-junction quantum cascade photodetectors for thermophotovoltaic energy conversion.

    PubMed

    Yin, Jian; Paiella, Roberto

    2010-01-18

    The use of intersubband transitions in quantum cascade structures for thermophotovoltaic energy conversion is investigated numerically. The intrinsic cascading scheme, spectral agility, and design flexibility of these structures make them ideally suited to the development of high efficiency multiple-junction thermophotovoltaic detectors. A specific implementation of this device concept is designed, based on bound-to-continuum intersubband transitions in large-conduction-band-offset In(0.7)Ga(0.3)As/AlAs(0.8)Sb(0.2) quantum wells. The device electrical characteristics in the presence of thermal radiation from a blackbody source at 1300 K are calculated, from which a maximum extracted power density of 1.4 W/cm(2) is determined. This value compares favorably with the present state-of-the-art in interband thermophotovoltaic energy conversion, indicating that quantum cascade photodetectors may provide a promising approach to improve energy extraction from thermal sources. PMID:20173989

  11. Controllable multiple-quantum transitions in a T-shaped small quantum dot-ring system

    NASA Astrophysics Data System (ADS)

    Chen, Xiongwen; Chen, Baoju; Song, Kehui; Zhou, Guanghui

    2016-05-01

    Based on the tight-binding model and the slave boson mean field approximation, we investigate the electron transport properties in a small quantum dot (QD)-ring system. Namely, a strongly correlated QD not only attaches directly to two normal metallic electrodes, but also forms a magnetic control Aharonov-Bohm quantum ring with a few noninteracting QDs. We show that the parity effect, the Kondo effect, and the multiple Fano effects coexist in our system. Moreover, the parities, defined by the odd- and even-numbered energy levels in this system, can be switched by adjusting magnetic flux phase ϕ located at the center of the quantum ring, which induces multiple controllable Fano-interference energy pathways. Therefore, the constructive and destructive multi-Fano interference transition, the Kondo and Fano resonance transition at the Fermi level, the Fano resonance and ani-resonance transition are realized in the even parity system. They can also be observed in the odd parity system when one adjusts the phase ϕ and the gate voltage Vg applied to the noninteracting QDs. The multi-quantum transitions determine some interesting transport properties such as the current switch and its multi-flatsteps, the differential conductance switch at zero bias voltage and its oscillation or quantization at the low bias voltage. These results may be useful for the observation of multiple quantum effect interplays experimentally and the design of controllable QD-based device.

  12. Improvement of a quantum broadcasting multiple blind signature scheme based on quantum teleportation

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Qiu, Daowen; Zou, Xiangfu

    2016-06-01

    Recently, a broadcasting multiple blind signature scheme based on quantum teleportation has been proposed for the first time. It is claimed to have unconditional security and properties of quantum multiple signature and quantum blind signature. In this paper, we analyze the security of the protocol and show that each signatory can learn the signed message by a single-particle measurement and the signed message can be modified at random by any attacker according to the scheme. Furthermore, there are some participant attacks and external attacks existing in the scheme. Finally, we present an improved scheme and show that it can resist all of the mentioned attacks. Additionally, the secret keys can be used again and again, making it more efficient and practical.

  13. HPLC analysis of ecdysteroids in plant extracts using superheated deuterium oxide with multiple on-line spectroscopic analysis (UV, IR, 1H NMR, and MS).

    PubMed

    Louden, Dave; Handley, Alan; Lafont, Rene; Taylor, Steve; Sinclair, Ian; Lenz, Eva; Orton, Timothy; Wilson, Ian D

    2002-01-01

    HPLC, using superheated D20 as the mobile phase, combined with on-line characterization via a combination of diode array UV, 1H NMR, FT-IR spectroscopy, and mass spectrometry has been used for the analysis of a standard of 20-hydroxyecdysone- and ecdysteroid-containing plant extracts. This combination of spectrometers enabled the on-flow collection of UV, 1H NMR, IR, and mass spectra not only for pure 20-hydroxyecdysone (100-400 microg on column) but also the major ecdysteroids present in crude extracts of Silene otites, Silene nutans, and Silene frivaldiskyana. The ecdysteroids unequivocally identified in these extracts included 20-hydroxyecdysone, polypodine B, and integristerone A.

  14. Multiple Exciton Generation in PbSe Quantum Dots and Quantum Dot Solar Cells

    SciTech Connect

    Beard, M. C.; Semonin, O. E.; Nozik, A. J.; Midgett, A. G.; Luther, J. M.

    2012-01-01

    Multiple exciton generation in quantum dots (QDs) has been intensively studied as a way to enhance solar energy conversion by channeling the excess photon energy (energy greater than the bandgap) to produce multiple electron-hole pairs. Among other useful properties, quantum confinement can both increase Coulomb interactions that drive the MEG process and decrease the electron-phonon coupling that cools hot-excitons in bulk semiconductors. We have demonstrated that MEG in PbSe QDs is about two times as efficient at producing multiple electron-hole pairs than bulk PbSe. I will discuss our recent results investigating MEG in PbSe, PbS and PbSxSe1-x, which exhibits an interesting size-dependence of the MEG efficiency. Thin films of electronically coupled PbSe QDs have shown promise in simple photon-to-electron conversion architectures with power conversion efficiencies above 5%. We recently reported an enhancement in the photocurrent resulting from MEG in PbSe QD-based solar cells. We find that the external quantum efficiency (spectrally resolved ratio of collected charge carriers to incident photons) peaked at 114% in the best devices measured, with an internal quantum efficiency of 130%. These results demonstrate that MEG charge carriers can be collected in suitably designed QD solar cells. We compare our results to transient absorption measurements and find reasonable agreement.

  15. Robust Multiple-Range Coherent Quantum State Transfer

    NASA Astrophysics Data System (ADS)

    Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

    2016-07-01

    We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise.

  16. Thermodynamics of quantum systems with multiple conserved quantities

    NASA Astrophysics Data System (ADS)

    Guryanova, Yelena; Popescu, Sandu; Short, Anthony J.; Silva, Ralph; Skrzypczyk, Paul

    2016-07-01

    Recently, there has been much progress in understanding the thermodynamics of quantum systems, even for small individual systems. Most of this work has focused on the standard case where energy is the only conserved quantity. Here we consider a generalization of this work to deal with multiple conserved quantities. Each conserved quantity, which, importantly, need not commute with the rest, can be extracted and stored in its own battery. Unlike the standard case, in which the amount of extractable energy is constrained, here there is no limit on how much of any individual conserved quantity can be extracted. However, other conserved quantities must be supplied, and the second law constrains the combination of extractable quantities and the trade-offs between them. We present explicit protocols that allow us to perform arbitrarily good trade-offs and extract arbitrarily good combinations of conserved quantities from individual quantum systems.

  17. Thermodynamics of quantum systems with multiple conserved quantities.

    PubMed

    Guryanova, Yelena; Popescu, Sandu; Short, Anthony J; Silva, Ralph; Skrzypczyk, Paul

    2016-01-01

    Recently, there has been much progress in understanding the thermodynamics of quantum systems, even for small individual systems. Most of this work has focused on the standard case where energy is the only conserved quantity. Here we consider a generalization of this work to deal with multiple conserved quantities. Each conserved quantity, which, importantly, need not commute with the rest, can be extracted and stored in its own battery. Unlike the standard case, in which the amount of extractable energy is constrained, here there is no limit on how much of any individual conserved quantity can be extracted. However, other conserved quantities must be supplied, and the second law constrains the combination of extractable quantities and the trade-offs between them. We present explicit protocols that allow us to perform arbitrarily good trade-offs and extract arbitrarily good combinations of conserved quantities from individual quantum systems. PMID:27384384

  18. Thermodynamics of quantum systems with multiple conserved quantities

    PubMed Central

    Guryanova, Yelena; Popescu, Sandu; Short, Anthony J.; Silva, Ralph; Skrzypczyk, Paul

    2016-01-01

    Recently, there has been much progress in understanding the thermodynamics of quantum systems, even for small individual systems. Most of this work has focused on the standard case where energy is the only conserved quantity. Here we consider a generalization of this work to deal with multiple conserved quantities. Each conserved quantity, which, importantly, need not commute with the rest, can be extracted and stored in its own battery. Unlike the standard case, in which the amount of extractable energy is constrained, here there is no limit on how much of any individual conserved quantity can be extracted. However, other conserved quantities must be supplied, and the second law constrains the combination of extractable quantities and the trade-offs between them. We present explicit protocols that allow us to perform arbitrarily good trade-offs and extract arbitrarily good combinations of conserved quantities from individual quantum systems. PMID:27384384

  19. Robust Multiple-Range Coherent Quantum State Transfer

    PubMed Central

    Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

    2016-01-01

    We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise. PMID:27364891

  20. Infrared supercontinuum generation in multiple quantum well nanostructures

    NASA Astrophysics Data System (ADS)

    Borgohain, Nitu; Belić, Milivoj; Konar, S.

    2016-11-01

    The paper presents a theoretical study of broadband mid-infrared supercontinuum generation at low power in semiconductor multiple quantum wells (MQWs) facilitated by electromagnetically induced transparency. Pulses of 200 W peak power and 700 fs duration at 9.963 μm have been used to study the supercontinuum generation dynamics in a 1.374 μm long MQW system. The supercontinuum spectrum is 13.0 μm broad and asymmetric about the pump wavelength. Although the spectral broadening is dominated by self-phase modulation, four-wave mixing, modulation instability and soliton generation also contribute to the broadening.

  1. Quantum-chemical simulation of 1H NMR spectra. 2. Comparison of DFT-based procedures for computing proton-proton coupling constants in organic molecules.

    PubMed

    Bally, Thomas; Rablen, Paul R

    2011-06-17

    The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A selection of the better methods was tested on a probe set comprising 61 J(H-H) values from 37 molecules. In this set we also included five molecules where conformational averaging is required. The rms deviations were better than or equal to those with the training set, which indicates that the method we recommend is generally applicable for organic molecules. We give instructions on how to carry out calculations of (1)H chemical shifts and J(H-H) most economically and provide scripts to extract the relevant information from the outputs of calculations with the Gaussian program in clearly arranged form, e.g., to feed them into programs for simulating entire (1)H NMR spectra.

  2. Investigation of enzymatic C-P bond formation using multiple quantum HCP nuclear magnetic resonance spectroscopy.

    PubMed

    Hu, Kaifeng; Werner, Williard J; Allen, Kylie D; Wang, Susan C

    2015-04-01

    The biochemical mechanism for the formation of the C-P-C bond sequence found in l-phosphinothricin, a natural product with antibiotic and herbicidal activity, remains unclear. To obtain further insight into the catalytic mechanism of PhpK, the P-methyltransferase responsible for the formation of the second C-P bond in l-phosphinothricin, we utilized a combination of stable isotopes and two-dimensional nuclear magnetic resonance spectroscopy. Exploiting the newly emerged Bruker QCI probe (Bruker Corp.), we specifically designed and ran a (13) C-(31) P multiple quantum (1) H-(13) C-(31) P (HCP) experiment in (1) H-(31) P two-dimensional mode directly on a PhpK-catalyzed reaction mixture using (13) CH3 -labeled methylcobalamin as the methyl group donor. This method is particularly advantageous because minimal sample purification is needed to maximize product visualization. The observed 3:1:1:3 multiplet specifically and unequivocally illustrates direct bond formation between (13) CH3 and (31) P. Related nuclear magnetic resonance experiments based upon these principles may be designed for the study of enzymatic and/or synthetic chemical reaction mechanisms.

  3. Quantum canonical ensemble and correlation femtoscopy at fixed multiplicities

    NASA Astrophysics Data System (ADS)

    Akkelin, S. V.; Sinyukov, Yu. M.

    2016-07-01

    Identical particle correlations at fixed multiplicity are considered by means of quantum canonical ensemble of finite systems. We calculate one-particle momentum spectra and two-particle Bose-Einstein correlation functions in the ideal gas by using a recurrence relation for the partition function. Within such a model we investigate the validity of the thermal Wick's theorem and its applicability for decomposition of the two-particle distribution function. The dependence of the Bose-Einstein correlation parameters on the average momentum of the particle pair is also investigated. Specifically, we present the analytical formulas that allow one to estimate the effect of suppressing the correlation functions in a finite canonical system. The results can be used for the femtoscopy analysis of the A +A and p +p collisions with selected (fixed) multiplicity.

  4. Quantum Dot Solar Cells: High Efficiency through Multiple Exciton Generation

    SciTech Connect

    Hanna, M. C.; Ellingson, R. J.; Beard, M.; Yu, P.; Micic, O. I.; Nozik, A. J.; c.

    2005-01-01

    Impact ionization is a process in which absorbed photons in semiconductors that are at least twice the bandgap can produce multiple electron-hole pairs. For single-bandgap photovoltaic devices, this effect produces greatly enhanced theoretical thermodynamic conversion efficiencies that range from 45-85%, depending upon solar concentration, the cell temperature, and the number of electron-hole pairs produced per photon. For quantum dots (QDs), electron-hole pairs exist as excitons. We have observed astoundingly efficient multiple exciton generation (MEG) in QDs of PbSe (bulk Eg = 0.28 eV), ranging in diameter from 3.9 to 5.7nm (Eg = 0.73, 0.82, and 0.91 eV, respectively). The effective masses of electron and holes are about equal in PbSe, and the onset for efficient MEG occurs at about three times the QD HOMO-LUMO transition (its ''bandgap''). The quantum yield rises quickly after the onset and reaches 300% at 4 x Eg (3.64 eV) for the smallest QD; this means that every QD in the sample produces three electron-hole pairs/photon.

  5. Primidone - An antiepileptic drug - characterisation by quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR and UV-Visible) investigations

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Santhanam, R.; Subramanian, S.; Mohan, S.

    2013-05-01

    The solid phase FTIR and FT-Raman spectra of primidone were recorded in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The vibrational spectra were analysed and the observed fundamentals were assigned and analysed. The experimental wavenumbers were compared with the theoretical scaled vibrational wavenumbers determined by DFT methods. The Raman intensities were also determined with B3LYP/6-31G(d,p) method. The total electron density and molecular electrostatic potential surface of the molecule were constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron + nuclei) distribution. The HOMO and LUMO energies were measured. Natural bond orbital analysis of primidone has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR spectra were recorded and the chemical shifts of the molecule were calculated.

  6. Coherent nanocavity structures for enhancement in internal quantum efficiency of III-nitride multiple quantum wells

    SciTech Connect

    Kim, T.; Liu, B.; Smith, R.; Athanasiou, M.; Gong, Y.; Wang, T.

    2014-04-21

    A “coherent” nanocavity structure has been designed on two-dimensional well-ordered InGaN/GaN nanodisk arrays with an emission wavelength in the green spectral region, leading to a massive enhancement in resonance mode in the green spectra region. By means of a cost-effective nanosphere lithography technique, we have fabricated such a structure on an InGaN/GaN multiple quantum well epiwafer and have observed the “coherent” nanocavity effect, which leads to an enhanced spontaneous emission (SE) rate. The enhanced SE rate has been confirmed by time resolved photoluminescence measurements. Due to the coherent nanocavity effect, we have achieved a massive improvement in internal quantum efficiency with a factor of 88, compared with the as-grown sample, which could be significant to bridge the “green gap” in solid-state lighting.

  7. Quantum teleportation scheme by selecting one of multiple output ports

    NASA Astrophysics Data System (ADS)

    Ishizaka, Satoshi; Hiroshima, Tohya

    2009-04-01

    The scheme of quantum teleportation, where Bob has multiple (N) output ports and obtains the teleported state by simply selecting one of the N ports, is thoroughly studied. We consider both the deterministic version and probabilistic version of the teleportation scheme aiming to teleport an unknown state of a qubit. Moreover, we consider two cases for each version: (i) the state employed for the teleportation is fixed to a maximally entangled state and (ii) the state is also optimized as well as Alice’s measurement. We analytically determine the optimal protocols for all the four cases and show the corresponding optimal fidelity or optimal success probability. All these protocols can achieve the perfect teleportation in the asymptotic limit of N→∞ . The entanglement properties of the teleportation scheme are also discussed.

  8. Multiple particle production processes in the light'' of quantum optics

    SciTech Connect

    Friedlander, E.M.

    1990-09-01

    Ever since the observation that high-energy nuclear active'' cosmic-ray particles create bunches of penetrating particles upon hitting targets, a controversy has raged about whether these secondaries are created in a single act'' or whether many hadrons are just the result of an intra-nuclear cascade, yielding one meson in every step. I cannot escape the impression that: the latter kind of model appeals naturally as a consequence of an innate bio-morphism in our way of thinking and that in one guise or another it has tenaciously survived to this day, also for hadron-hadron collisions, via multi-peripheral models to the modern parton shower approach. Indeed, from the very beginning of theoretical consideration of multiparticle production, the possibility of many particles arising from a single hot'' system has been explored, with many fruitful results, not the least of which are the s{sup 1/4} dependence of the mean produced particle multiplicity and the thermal'' shape of the P{sub T} spectra. An important consequence of the thermodynamical-hydrodynamical models is that particle emission is treated in analogy to black-body radiation, implying for the secondaries a set of specific Quantum-Statistical properties, very similar to those observed in quantum optics. From here on I shall try to review a number of implications and applications of this QS analogy in the study of multiplicity distributions of the produced secondaries. I will touch only in passing another very important topic of this class, the Bose-Einstein two-particle correlations.

  9. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of O-desmethyltramadol hydrochloride an active metabolite in tramadol - An analgesic drug

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Santhanam, R.; Marchewka, M. K.; Mohan, S.

    2014-03-01

    O-desmethyltramadol is one of the main metabolites of tramadol widely used clinically and has analgesic activity. The FTIR and FT-Raman spectra of O-desmethyl tramadol hydrochloride are recorded in the solid phase in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The observed fundamentals are assigned to different normal modes of vibration. Theoretical studies have been performed as its hydrochloride salt. The structure of the compound has been optimised with B3LYP method using 6-31G** and cc-pVDZ basis sets. The optimised bond length and bond angles are correlated with the X-ray data. The experimental wavenumbers were compared with the scaled vibrational frequencies determined by DFT methods. The IR and Raman intensities are determined with B3LYP method using cc-pVDZ and 6-31G(d,p) basic sets. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/cc-pVDZ method to display electrostatic potential (electron + nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of O-desmethyltramadol hydrochloride has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR chemical shifts of the molecule have been anlysed.

  10. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

    NASA Astrophysics Data System (ADS)

    Makhov, Dmitry V.; Glover, William J.; Martinez, Todd J.; Shalashilin, Dmitrii V.

    2014-08-01

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as "cloning," in analogy to the "spawning" procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, "trains," as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

  11. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

    SciTech Connect

    Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.; Martinez, Todd J.

    2014-08-07

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

  12. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.

    PubMed

    Makhov, Dmitry V; Glover, William J; Martinez, Todd J; Shalashilin, Dmitrii V

    2014-08-01

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as "cloning," in analogy to the "spawning" procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, "trains," as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions. PMID:25106573

  13. 1H NMR titration and quantum calculation for the inclusion complexes of cis-cyclooctene, cis, cis-1, 3-cyclooctadiene and cis, cis-1, 5-cyclooctadiene with β-cyclodextrin

    NASA Astrophysics Data System (ADS)

    Yujuan, Cao; Runhua, Lu

    2009-08-01

    The inclusion behavior of cis-cyclooctene, cis, cis-1, 3-cyclooctadiene and cis, cis-1, 5-cyclooctadiene with β-cyclodextrin (β-CD) was studied by using 1H NMR method in D 2O/CD 3OD solution and PM3 quantum-chemical simulation in vacuum. The experimental results indicate that each guest molecule penetrates deeply into β-CD cavity and forms equimolecular inclusion complex with the host. The association constants of the complexes were determined by non-linear least-square method on the bases of the conversion-dependent chemical shift of two protons of the host molecule. The inclusion process and the most probable structure of the inclusion complexes were simulated using PM3 energy scanning and optimization. The trend of stability of the three inclusion complexes deduced from their calculated stabilization energies agrees well with the order of their association constants obtained from NMR experiments.

  14. 1H NMR titration and quantum calculation for the inclusion complexes of cis-cyclooctene, cis, cis-1, 3-cyclooctadiene and cis, cis-1, 5-cyclooctadiene with beta-cyclodextrin.

    PubMed

    Yujuan, Cao; Runhua, Lu

    2009-08-15

    The inclusion behavior of cis-cyclooctene, cis, cis-1, 3-cyclooctadiene and cis, cis-1, 5-cyclooctadiene with beta-cyclodextrin (beta-CD) was studied by using (1)H NMR method in D(2)O/CD(3)OD solution and PM3 quantum-chemical simulation in vacuum. The experimental results indicate that each guest molecule penetrates deeply into beta-CD cavity and forms equimolecular inclusion complex with the host. The association constants of the complexes were determined by non-linear least-square method on the bases of the conversion-dependent chemical shift of two protons of the host molecule. The inclusion process and the most probable structure of the inclusion complexes were simulated using PM3 energy scanning and optimization. The trend of stability of the three inclusion complexes deduced from their calculated stabilization energies agrees well with the order of their association constants obtained from NMR experiments.

  15. Comment on "Quantum Superimposing Multiple Anti-Cloning Machine"

    NASA Astrophysics Data System (ADS)

    Chang, Da-Wei

    2015-03-01

    Recently, Li et al. (Int. J. Theor. Phys. 46, 2599, 2007) has constructed the quantum superimposing multiple anti-cloning machine, moreover established the sufficient and necessary condition of this machine exists. In the proofs given by Li et al. (Int. J. Theor. Phys. 46, 2599, 2007), claimed that the following key fact to hold : Fact For an arbitrary unknown state | ψ> belongs to n-dimensional Hilbert space, there exists an antiunitary operator K such that K| ψ>=| ψ ⊥> here the state | ψ ⊥> is an orthogonal complement state of | ψ>, that is, it satisfies the following two conditions < ψ| K| ψ>=< ψ| ψ ⊥>=0 and < ψ| ψ>=< ψ ⊥| ψ ⊥>=1 In this Comment, we would like to point out that (a). In 1-dimensional Hilbert space, for an arbitrary unknown state | ψ>, the antiunitary operator K and the orthogonal complement state both do not exist in general. (b). In 3-dimensional Hilbert space, for an arbitrary unknown state | ψ>, the antiunitary operator K do not exist in general, there are uncountably many orthogonal complement states that can be constructed through the skew-symmetric operator, but is not unitary one. Which shows that above Fact given by Li et al. [1] is incorrect in general for both 1 and 3-dimensional Hilbert space

  16. Natural-abundance 15N NMR studies of Turkey ovomucoid third domain. Assignment of peptide 15N resonances to the residues at the reactive site region via proton-detected multiple-quantum coherence

    NASA Astrophysics Data System (ADS)

    Ortiz-Polo, Gilberto; Krishnamoorthi, R.; Markley, John L.; Live, David H.; Davis, Donald G.; Cowburn, David

    Heteronuclear two-dimensional 1H{ 15N} multiple-quantum (MQ) spectroscopy has been applied to a protein sample at natural abundance: ovomucoid third domain from turkey ( Meleagris gallopavo), a serine proteinase inhibitor of 56 amino acid residues. Peptide amide 1H NMR assignments obtained by two-dimensional 1H{ 1H} NMR methods (R. Krishnamoorthi and J. L. Markley, unpublished data) led to identification of the corresponding 1H{ 15N} MQ coherence cross peaks. From these, 15N NMR chemical shifts were determined for several specific backbone amide groups of amino acid residues located around the reactive site region of the inhibitor. The results suggest that amide 15N chemical shifts, which are readily obtained in this way, may serve as sensitive probes for conformational studies of proteins.

  17. U1h Superstructure

    SciTech Connect

    Glen Sykes

    2000-11-01

    The U1H Shaft Project is a design build subcontract to supply the U. S. Department of Energy (DOE) a 1,045 ft. deep, 20 ft. diameter, concrete lined shaft for unspecified purposes. The subcontract awarded to Atkinson Construction by Bechtel Nevada to design and construct the shaft for the DOE has been split into phases with portions of the work being released as dictated by available funding. The first portion released included the design for the shaft, permanent hoist, headframe, and collar arrangement. The second release consisted of constructing the shaft collar to a depth of 110 ft., the service entry, utility trenches, and installation of the temporary sinking plant. The temporary sinking plant included the installation of the sinking headframe, the sinking hoist, two deck winches, the shaft form, the sinking work deck, and temporary utilities required to sink the shaft. Both the design and collar construction were completed on schedule. The third release consisted of excavating and lining the shaft to the station depth of approximately 950 feet. Work is currently proceeding on this production sinking phase. At a depth of approximately 600 feet, Atkinson has surpassed production expectation and is more than 3 months ahead of schedule. Atkinson has employed the use of a Bobcat 331 excavator as the primary means of excavation. the shaft is being excavated entirely in an alluvial deposit with varying degrees of calcium carbonate cementation. Several more work packages are expected to be released in the near future. The remaining work packages include, construction of the shaft station a depth of 975 ft. and construction of the shaft sump to a depth of 1,045 ft., installation of the loading pocket and station steel and equipment, installation of the shaft steel and guides, installation of the shaft utilities, and installation of the permanent headframe, hoist, collar utilities, and facilities.

  18. Optimized multiple quantum MAS lineshape simulations in solid state NMR

    NASA Astrophysics Data System (ADS)

    Brouwer, William J.; Davis, Michael C.; Mueller, Karl T.

    2009-10-01

    The majority of nuclei available for study in solid state Nuclear Magnetic Resonance have half-integer spin I>1/2, with corresponding electric quadrupole moment. As such, they may couple with a surrounding electric field gradient. This effect introduces anisotropic line broadening to spectra, arising from distinct chemical species within polycrystalline solids. In Multiple Quantum Magic Angle Spinning (MQMAS) experiments, a second frequency dimension is created, devoid of quadrupolar anisotropy. As a result, the center of gravity of peaks in the high resolution dimension is a function of isotropic second order quadrupole and chemical shift alone. However, for complex materials, these parameters take on a stochastic nature due in turn to structural and chemical disorder. Lineshapes may still overlap in the isotropic dimension, complicating the task of assignment and interpretation. A distributed computational approach is presented here which permits simulation of the two-dimensional MQMAS spectrum, generated by random variates from model distributions of isotropic chemical and quadrupole shifts. Owing to the non-convex nature of the residual sum of squares (RSS) function between experimental and simulated spectra, simulated annealing is used to optimize the simulation parameters. In this manner, local chemical environments for disordered materials may be characterized, and via a re-sampling approach, error estimates for parameters produced. Program summaryProgram title: mqmasOPT Catalogue identifier: AEEC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3650 No. of bytes in distributed program, including test data, etc.: 73 853 Distribution format: tar.gz Programming language: C, OCTAVE Computer: UNIX

  19. Simple Approaches for Estimating Vicinal 1H- 1H Coupling-Constants and for Obtaining Stereospecific Resonance Assignments in Leucine Side Chains

    NASA Astrophysics Data System (ADS)

    Constantine, K. L.; Friedrichs, M. S.; Mueller, L.

    An approach for deriving stereospecific δ-methyl assignments and χ 2 dihedral angle constraints for leucine residues, based on easily recognized patterns of 1H- 1H spin-spin coupling constants and intraresidue nuclear-Overhauser-effect spectroscopy (NOESY) cross-peak intensities, is described. The approach depends on resolved H γ and/or δ-methyl resonances and on initially obtaining stereospecific assignments for H β2 and H β3. As part of the overall strategy, a method is presented for obtaining qualitative or, in favorable cases, semiquantitative estimates of vicinal 1H- 1H coupling constants from peak intensities measured in a short-mixing-time 1H- 1H total correlation spectroscopy (TOCSY) experiment. This method of estimating 1H- 1H spin-spin coupling constants is generally applicable to all side-chain types. The approach is illustrated for several leucine residues within uniformly 15N-labeled and 15N/ 13C-double-labeled isolated light-chain variable domain of the anti-digoxin antibody 26-10. Estimates of 3Jαβ and 3Jβγ coupling constants are derived from a three-dimensional (3D) 13C-edited TOCSY-heteronuclear multiple-quantum coherence (HMQC) spectrum. These data are combined with information from 3D 15N-edited NOESY and 3D 13C-edited NOESY spectra to yield stereospecific H β2, H β3, and δ-methyl assignments, as well as constraints on χ (1) and χ 2 dihedral angles. Although the overall approach is illustrated using 3D 15N-edited and 13C-edited data, it is equally applicable to analysis of two-dimensional 1H- 1H NOESY and TOCSY spectra.

  20. Storage of multiple single-photon pulses emitted from a quantum dot in a solid-state quantum memory

    PubMed Central

    Tang, Jian-Shun; Zhou, Zong-Quan; Wang, Yi-Tao; Li, Yu-Long; Liu, Xiao; Hua, Yi-Lin; Zou, Yang; Wang, Shuang; He, De-Yong; Chen, Geng; Sun, Yong-Nan; Yu, Ying; Li, Mi-Feng; Zha, Guo-Wei; Ni, Hai-Qiao; Niu, Zhi-Chuan; Li, Chuan-Feng; Guo, Guang-Can

    2015-01-01

    Quantum repeaters are critical components for distributing entanglement over long distances in presence of unavoidable optical losses during transmission. Stimulated by the Duan–Lukin–Cirac–Zoller protocol, many improved quantum repeater protocols based on quantum memories have been proposed, which commonly focus on the entanglement-distribution rate. Among these protocols, the elimination of multiple photons (or multiple photon-pairs) and the use of multimode quantum memory are demonstrated to have the ability to greatly improve the entanglement-distribution rate. Here, we demonstrate the storage of deterministic single photons emitted from a quantum dot in a polarization-maintaining solid-state quantum memory; in addition, multi-temporal-mode memory with 1, 20 and 100 narrow single-photon pulses is also demonstrated. Multi-photons are eliminated, and only one photon at most is contained in each pulse. Moreover, the solid-state properties of both sub-systems make this configuration more stable and easier to be scalable. Our work will be helpful in the construction of efficient quantum repeaters based on all-solid-state devices. PMID:26468996

  1. Storage of multiple single-photon pulses emitted from a quantum dot in a solid-state quantum memory.

    PubMed

    Tang, Jian-Shun; Zhou, Zong-Quan; Wang, Yi-Tao; Li, Yu-Long; Liu, Xiao; Hua, Yi-Lin; Zou, Yang; Wang, Shuang; He, De-Yong; Chen, Geng; Sun, Yong-Nan; Yu, Ying; Li, Mi-Feng; Zha, Guo-Wei; Ni, Hai-Qiao; Niu, Zhi-Chuan; Li, Chuan-Feng; Guo, Guang-Can

    2015-10-15

    Quantum repeaters are critical components for distributing entanglement over long distances in presence of unavoidable optical losses during transmission. Stimulated by the Duan-Lukin-Cirac-Zoller protocol, many improved quantum repeater protocols based on quantum memories have been proposed, which commonly focus on the entanglement-distribution rate. Among these protocols, the elimination of multiple photons (or multiple photon-pairs) and the use of multimode quantum memory are demonstrated to have the ability to greatly improve the entanglement-distribution rate. Here, we demonstrate the storage of deterministic single photons emitted from a quantum dot in a polarization-maintaining solid-state quantum memory; in addition, multi-temporal-mode memory with 1, 20 and 100 narrow single-photon pulses is also demonstrated. Multi-photons are eliminated, and only one photon at most is contained in each pulse. Moreover, the solid-state properties of both sub-systems make this configuration more stable and easier to be scalable. Our work will be helpful in the construction of efficient quantum repeaters based on all-solid-state devices.

  2. Multiple-event probability in general-relativistic quantum mechanics

    SciTech Connect

    Hellmann, Frank; Mondragon, Mauricio; Perez, Alejandro; Rovelli, Carlo

    2007-04-15

    We discuss the definition of quantum probability in the context of 'timeless' general-relativistic quantum mechanics. In particular, we study the probability of sequences of events, or multievent probability. In conventional quantum mechanics this can be obtained by means of the 'wave function collapse' algorithm. We first point out certain difficulties of some natural definitions of multievent probability, including the conditional probability widely considered in the literature. We then observe that multievent probability can be reduced to single-event probability, by taking into account the quantum nature of the measuring apparatus. In fact, by exploiting the von-Neumann freedom of moving the quantum/classical boundary, one can always trade a sequence of noncommuting quantum measurements at different times, with an ensemble of simultaneous commuting measurements on the joint system+apparatus system. This observation permits a formulation of quantum theory based only on single-event probability, where the results of the wave function collapse algorithm can nevertheless be recovered. The discussion also bears on the nature of the quantum collapse.

  3. Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Karabacak, Mehmet; Kose, Etem; Atac, Ahmet; Asiri, Abdullah M.; Kurt, Mustafa

    2014-01-01

    The spectroscopic properties of 3,5-difluorophenylboronic acid (3,5-DFPBA, C6H3F2B(OH)2) were investigated by FT-IR, FT-Raman UV-Vis, 1H and 13C NMR spectroscopic techniques. FT-IR (4000-400 cm-1) and FT-Raman spectra (3500-10 cm-1) in the solid phase and 1H and 13C NMR spectra in DMSO solution were recorded. The UV spectra that dissolved in ethanol and water were recorded in the range of 200-400 nm for each solution. The structural and spectroscopic data of the molecule have been obtained for possible three conformers from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Hydrogen-bonded dimer of title molecule, optimized by counterpoise correction, was also studied B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H⋯O hydrogen bonding have been discussed. 1H and 13C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (OPDOS) diagrams analysis were presented. The effects due to the substitutions of boric acid group and halogen were investigated. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), nonlinear optical properties (NLO) and thermodynamic features were performed.

  4. Multiple surface plasmons in an unbounded quantum plasma half-space

    NASA Astrophysics Data System (ADS)

    Palade, D. I.

    2016-07-01

    The propagation of surface plasmons on a quantum plasma half-space in the absence of any external confinement is investigated. By means of the Quantum Hydrodynamic Model in the electrostatic limit, it is found that the equilibrium density profile is a smooth continuous function which, in the linear regime, supports multiple non-normal surface modes. Defining a spectrum function and using a cutting condition, the dispersion relations of these modes and their relevance for realistic dynamics are computed. It is found that the multiple surface plasmons present a significant red-shift with respect to the case of fully bounded quantum plasmas.

  5. Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120.

    PubMed

    Davis, Nathaniel J L K; Böhm, Marcus L; Tabachnyk, Maxim; Wisnivesky-Rocca-Rivarola, Florencia; Jellicoe, Tom C; Ducati, Caterina; Ehrler, Bruno; Greenham, Neil C

    2015-09-28

    Multiple-exciton generation-a process in which multiple charge-carrier pairs are generated from a single optical excitation-is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley-Queisser limit. One-dimensional nanostructures, for example nanorods, have been shown spectroscopically to display increased multiple exciton generation efficiencies compared with their zero-dimensional analogues. Here we present solar cells fabricated from PbSe nanorods of three different bandgaps. All three devices showed external quantum efficiencies exceeding 100% and we report a maximum external quantum efficiency of 122% for cells consisting of the smallest bandgap nanorods. We estimate internal quantum efficiencies to exceed 150% at relatively low energies compared with other multiple exciton generation systems, and this demonstrates the potential for substantial improvements in device performance due to multiple exciton generation.

  6. Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120.

    PubMed

    Davis, Nathaniel J L K; Böhm, Marcus L; Tabachnyk, Maxim; Wisnivesky-Rocca-Rivarola, Florencia; Jellicoe, Tom C; Ducati, Caterina; Ehrler, Bruno; Greenham, Neil C

    2015-01-01

    Multiple-exciton generation-a process in which multiple charge-carrier pairs are generated from a single optical excitation-is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley-Queisser limit. One-dimensional nanostructures, for example nanorods, have been shown spectroscopically to display increased multiple exciton generation efficiencies compared with their zero-dimensional analogues. Here we present solar cells fabricated from PbSe nanorods of three different bandgaps. All three devices showed external quantum efficiencies exceeding 100% and we report a maximum external quantum efficiency of 122% for cells consisting of the smallest bandgap nanorods. We estimate internal quantum efficiencies to exceed 150% at relatively low energies compared with other multiple exciton generation systems, and this demonstrates the potential for substantial improvements in device performance due to multiple exciton generation. PMID:26411283

  7. Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120%

    PubMed Central

    Davis, Nathaniel J. L. K.; Böhm, Marcus L.; Tabachnyk, Maxim; Wisnivesky-Rocca-Rivarola, Florencia; Jellicoe, Tom C.; Ducati, Caterina; Ehrler, Bruno; Greenham, Neil C.

    2015-01-01

    Multiple-exciton generation—a process in which multiple charge-carrier pairs are generated from a single optical excitation—is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley–Queisser limit. One-dimensional nanostructures, for example nanorods, have been shown spectroscopically to display increased multiple exciton generation efficiencies compared with their zero-dimensional analogues. Here we present solar cells fabricated from PbSe nanorods of three different bandgaps. All three devices showed external quantum efficiencies exceeding 100% and we report a maximum external quantum efficiency of 122% for cells consisting of the smallest bandgap nanorods. We estimate internal quantum efficiencies to exceed 150% at relatively low energies compared with other multiple exciton generation systems, and this demonstrates the potential for substantial improvements in device performance due to multiple exciton generation. PMID:26411283

  8. Time Dependent Study of Multiple Exciton Generation in Nanocrystal Quantum Dots

    NASA Astrophysics Data System (ADS)

    Damtie, Fikeraddis A.; Wacker, Andreas

    2016-03-01

    We study the exciton dynamics in an optically excited nanocrystal quantum dot. Multiple exciton formation is more efficient in nanocrystal quantum dots compared to bulk semiconductors due to enhanced Coulomb interactions and the absence of conservation of momentum. The formation of multiple excitons is dependent on different excitation parameters and the dissipation. We study this process within a Lindblad quantum rate equation using the full many-particle states. We optically excite the system by creating a single high energy exciton ESX in resonance to a double exciton EDX. With Coulomb electron-electron interaction, the population can be transferred from the single exciton to the double exciton state by impact ionisation (inverse Auger process). The ratio between the recombination processes and the absorbed photons provide the yield of the structure. We observe a quantum yield of comparable value to experiment assuming typical experimental conditions for a 4 nm PbS quantum dot.

  9. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods

    NASA Astrophysics Data System (ADS)

    Bhavani, K.; Renuga, S.; Muthu, S.; Sankara narayanan, K.

    2015-02-01

    In this work, colorless crystals of 2-acetoxybenzoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-500 cm-1 and 4000-100 cm-1 respectively. Molecular structure is optimized with the help of density functional theory method (B3LYP) with 6-31+G(d,p), 6-311++G(d,p) basis sets. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ∗ antibonding orbitals and E(2) energies confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. The results of the calculations were applied to simulated spectra of the title compound, which show excellent agreement with observed spectra. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO method. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule.

  10. Carrier multiplication detected through transient photocurrent in device-grade films of lead selenide quantum dots

    SciTech Connect

    Gao, Jianbo; Fidler, Andrew F.; Klimov, Victor I.

    2015-09-08

    In carrier multiplication, the absorption of a single photon results in two or more electron–hole pairs. Quantum dots are promising materials for implementing carrier multiplication principles in real-life technologies. So far, however, most of research in this area has focused on optical studies of solution samples with yet to be proven relevance to practical devices. We report ultra-fast electro-optical studies of device-grade films of electronically coupled quantum dots that allow us to observe multiplication directly in the photocurrent. Our studies help rationalize previous results from both optical spectroscopy and steady-state photocurrent measurements and also provide new insights into effects of electric field and ligand treatments on multiexciton yields. Importantly, we demonstrate that using appropriate chemical treatments of the films, extra charges produced by carrier multiplication can be extracted from the quantum dots before they are lost to Auger recombination and hence can contribute to photocurrent of practical devices.

  11. Carrier multiplication detected through transient photocurrent in device-grade films of lead selenide quantum dots

    PubMed Central

    Gao, Jianbo; Fidler, Andrew F.; Klimov, Victor I.

    2015-01-01

    In carrier multiplication, the absorption of a single photon results in two or more electron–hole pairs. Quantum dots are promising materials for implementing carrier multiplication principles in real-life technologies. So far, however, most of research in this area has focused on optical studies of solution samples with yet to be proven relevance to practical devices. Here we report ultrafast electro-optical studies of device-grade films of electronically coupled quantum dots that allow us to observe multiplication directly in the photocurrent. Our studies help rationalize previous results from both optical spectroscopy and steady-state photocurrent measurements and also provide new insights into effects of electric field and ligand treatments on multiexciton yields. Importantly, we demonstrate that using appropriate chemical treatments of the films, extra charges produced by carrier multiplication can be extracted from the quantum dots before they are lost to Auger recombination and hence can contribute to photocurrent of practical devices. PMID:26345390

  12. Exact non-Markovian master equations for multiple qubit systems: Quantum-trajectory approach

    NASA Astrophysics Data System (ADS)

    Chen, Yusui; You, J. Q.; Yu, Ting

    2014-11-01

    A wide class of exact master equations for a multiple qubit system can be explicitly constructed by using the corresponding exact non-Markovian quantum-state diffusion equations. These exact master equations arise naturally from the quantum decoherence dynamics of qubit system as a quantum memory coupled to a collective colored noisy source. The exact master equations are also important in optimal quantum control, quantum dissipation, and quantum thermodynamics. In this paper, we show that the exact non-Markovian master equation for a dissipative N -qubit system can be derived explicitly from the statistical average of the corresponding non-Markovian quantum trajectories. We illustrated our general formulation by an explicit construction of a three-qubit system coupled to a non-Markovian bosonic environment. This multiple qubit master equation offers an accurate time evolution of quantum systems in various domains, and paves the way to investigate the memory effect of an open system in a non-Markovian regime without any approximation.

  13. Quantum teleportation of multiple degrees of freedom of a single photon.

    PubMed

    Wang, Xi-Lin; Cai, Xin-Dong; Su, Zu-En; Chen, Ming-Cheng; Wu, Dian; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei

    2015-02-26

    Quantum teleportation provides a 'disembodied' way to transfer quantum states from one object to another at a distant location, assisted by previously shared entangled states and a classical communication channel. As well as being of fundamental interest, teleportation has been recognized as an important element in long-distance quantum communication, distributed quantum networks and measurement-based quantum computation. There have been numerous demonstrations of teleportation in different physical systems such as photons, atoms, ions, electrons and superconducting circuits. All the previous experiments were limited to the teleportation of one degree of freedom only. However, a single quantum particle can naturally possess various degrees of freedom--internal and external--and with coherent coupling among them. A fundamental open challenge is to teleport multiple degrees of freedom simultaneously, which is necessary to describe a quantum particle fully and, therefore, to teleport it intact. Here we demonstrate quantum teleportation of the composite quantum states of a single photon encoded in both spin and orbital angular momentum. We use photon pairs entangled in both degrees of freedom (that is, hyper-entangled) as the quantum channel for teleportation, and develop a method to project and discriminate hyper-entangled Bell states by exploiting probabilistic quantum non-demolition measurement, which can be extended to more degrees of freedom. We verify the teleportation for both spin-orbit product states and hybrid entangled states, and achieve a teleportation fidelity ranging from 0.57 to 0.68, above the classical limit. Our work is a step towards the teleportation of more complex quantum systems, and demonstrates an increase in our technical control of scalable quantum technologies. PMID:25719668

  14. Quantum teleportation of multiple degrees of freedom of a single photon

    NASA Astrophysics Data System (ADS)

    Wang, Xi-Lin; Cai, Xin-Dong; Su, Zu-En; Chen, Ming-Cheng; Wu, Dian; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei

    2015-02-01

    Quantum teleportation provides a `disembodied' way to transfer quantum states from one object to another at a distant location, assisted by previously shared entangled states and a classical communication channel. As well as being of fundamental interest, teleportation has been recognized as an important element in long-distance quantum communication, distributed quantum networks and measurement-based quantum computation. There have been numerous demonstrations of teleportation in different physical systems such as photons, atoms, ions, electrons and superconducting circuits. All the previous experiments were limited to the teleportation of one degree of freedom only. However, a single quantum particle can naturally possess various degrees of freedom--internal and external--and with coherent coupling among them. A fundamental open challenge is to teleport multiple degrees of freedom simultaneously, which is necessary to describe a quantum particle fully and, therefore, to teleport it intact. Here we demonstrate quantum teleportation of the composite quantum states of a single photon encoded in both spin and orbital angular momentum. We use photon pairs entangled in both degrees of freedom (that is, hyper-entangled) as the quantum channel for teleportation, and develop a method to project and discriminate hyper-entangled Bell states by exploiting probabilistic quantum non-demolition measurement, which can be extended to more degrees of freedom. We verify the teleportation for both spin-orbit product states and hybrid entangled states, and achieve a teleportation fidelity ranging from 0.57 to 0.68, above the classical limit. Our work is a step towards the teleportation of more complex quantum systems, and demonstrates an increase in our technical control of scalable quantum technologies.

  15. Quantum teleportation of multiple degrees of freedom of a single photon.

    PubMed

    Wang, Xi-Lin; Cai, Xin-Dong; Su, Zu-En; Chen, Ming-Cheng; Wu, Dian; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei

    2015-02-26

    Quantum teleportation provides a 'disembodied' way to transfer quantum states from one object to another at a distant location, assisted by previously shared entangled states and a classical communication channel. As well as being of fundamental interest, teleportation has been recognized as an important element in long-distance quantum communication, distributed quantum networks and measurement-based quantum computation. There have been numerous demonstrations of teleportation in different physical systems such as photons, atoms, ions, electrons and superconducting circuits. All the previous experiments were limited to the teleportation of one degree of freedom only. However, a single quantum particle can naturally possess various degrees of freedom--internal and external--and with coherent coupling among them. A fundamental open challenge is to teleport multiple degrees of freedom simultaneously, which is necessary to describe a quantum particle fully and, therefore, to teleport it intact. Here we demonstrate quantum teleportation of the composite quantum states of a single photon encoded in both spin and orbital angular momentum. We use photon pairs entangled in both degrees of freedom (that is, hyper-entangled) as the quantum channel for teleportation, and develop a method to project and discriminate hyper-entangled Bell states by exploiting probabilistic quantum non-demolition measurement, which can be extended to more degrees of freedom. We verify the teleportation for both spin-orbit product states and hybrid entangled states, and achieve a teleportation fidelity ranging from 0.57 to 0.68, above the classical limit. Our work is a step towards the teleportation of more complex quantum systems, and demonstrates an increase in our technical control of scalable quantum technologies.

  16. Studies on molecular weaker interactions, spectroscopic analysis and chemical reactivity of synthesized ethyl 3,5-dimethyl-4-[3-(2-nitro-phenyl)-acryloyl]-1H-pyrrole-2-carboxylate through experimental and quantum chemical approaches

    NASA Astrophysics Data System (ADS)

    Singh, R. N.; Baboo, Vikas; Rawat, Poonam; Gupta, V. P.

    2013-04-01

    Ethyl 3,5-dimethyl-4-[3-(2-nitro-phenyl)-acryloyl]-1H-pyrrole-2-carboxylate (EDNPAPC) has been synthesized and characterized by 1H NMR, UV-Vis, FT-IR and Mass spectroscopy. Geometrical, spectral, thermodynamic properties have been calculated and evaluated using DFT level of theory, B3LYP functional and 6-31G(d,p) basis set. The observed absorption peaks at 364, 308 and 256 nm are corresponds to the calculated electronic transitions at 352, 286 nm and 252 nm respectively. The experimental data shows red shift in comparison to the calculated. The detailed vibrational analysis has been carried out with the aid of potential energy distribution (PED) and the experimental FTIR peaks confirm red shifts in Nsbnd H and Cdbnd O stretching bond as result of dimer formation. The multiple interactions present in the molecule have been evaluated with the help of QTAIM theory. The ellipticity values confirm the presence of resonance assisted hydrogen bonding in dimer formation. The binding energy of dimer formation through DFT and AIM calculations has been found to be 13.94 and 15.22 kcal/mol respectively. The binding energy of dimer after basis set superposition error (BSSE) found to be as 10.54 kcal/mol. Theoretical result from reactivity descriptors show that C6, C13 and C15 are more reactive sites for nucleophilic attack within molecule favoring the formation of heterocyclic compounds such as pyrazoline and oxazoline. The calculated β0 values for monomer and dimer are found to be as 1.8 × 10-30, 7.8 × 10-30 esu, respectively, indicating that this pyrrole chalcone is an attractive material for nonlinear optical (NLO) applications.

  17. Nonadditivity of quantum and classical capacities for entanglement breaking multiple-access channels and the butterfly network

    SciTech Connect

    Grudka, Andrzej; Horodecki, Pawel

    2010-06-15

    We analyze quantum network primitives which are entanglement breaking. We show superadditivity of quantum and classical capacity regions for quantum multiple-access channels and the quantum butterfly network. Since the effects are especially visible at high noise they suggest that quantum information effects may be particularly helpful in the case of the networks with occasional high noise rates. The present effects provide a qualitative borderline between superadditivities of bipartite and multipartite systems.

  18. Radiation induced crosslinking in a silica-filled silicone elastomer as investigated by multiple quantum H NMR

    SciTech Connect

    Maxwell, R S; Chinn, S C; Solyom, D; Cohenour, R

    2005-05-24

    DC745 is a commercially available silicone elastomer consisting of dimethyl, methylphenyl, and vinyl-methyl siloxane monomers crosslinked with a peroxide vinyl specific curing agent. It is generally considered to age gracefully and to be resistant to chemical and thermally harsh environments. However, little data exists on the radiation resistance of this commonly used silicone elastomer. We report static {sup 1}H NMR studies of residual dipolar couplings in DC745 solid elastomers subject to exposure to ionizing gamma radiation. {sup 1}H spin-echo NMR data shows that with increasing dose, the segmental dynamics decrease is consistent with radiatively induced crosslinking. {sup 1}H multiple quantum NMR was used to assess changes in the network structure and observed the presence of a bimodal distribution of residual dipolar couplings, <{Omega}{sub d}>, that were dose dependent. The domain with the lower <{Omega}{sub d}> has been assigned to the polymer network while the domain with the higher <{Omega}{sub d}> has been assigned to polymer chains interacting with the inorganic filler surfaces. In samples exposed to radiation, the residual dipolar couplings in both reservoirs were observed to increase and the populations were observed to be dose dependent. The NMR results are compared to Differential Scanning Calorimetry (DSC) and a two-step solvent swelling technique. The solvent swelling data lend support to the interpretation of the NMR results and the DSC data show both a decrease in the melt temperature and the heat of fusion with cumulative dose, consistent with radiative crosslinking. In addition, DSC thermograms obtained following a 3 hr isothermal soak at -40 C showed the presence of a second melt feature at T{sub m} {approx} -70 C consistent with a network domain with significantly reduced segmental motion.

  19. Scaling of multiple postselected quantum gates in optics

    SciTech Connect

    Ralph, T.C.

    2004-07-01

    We show that interesting multigate circuits can be constructed using a postselected controlled-sign gate that works with a probability (1/3){sup n}, where n-1 is the number of controlled-sign gates in the circuit, rather than (1/9){sup n-1}, as would be expected from a sequence of such gates. We suggest some quantum information tasks which could be demonstrated using these circuits, such as parity checking and cluster-state computation.

  20. Optimal discrimination of multiple quantum systems: controllability analysis

    NASA Astrophysics Data System (ADS)

    Turinici, Gabriel; Ramakhrishna, Viswanath; Li, Baiqing; Rabitz, Herschel

    2004-01-01

    A theoretical study is presented concerning the ability to dynamically discriminate between members of a set of different (but possibly similar) quantum systems. This discrimination is analysed in terms of independently and simultaneously steering about the wavefunction of each component system to a target state of interest using a tailored control (i.e. laser) field. Controllability criteria are revealed and their applicability is demonstrated in simple cases. Discussion is also presented in some uncontrollable cases.

  1. Physically feasible three-level transitionless quantum driving with multiple Schrödinger dynamics

    NASA Astrophysics Data System (ADS)

    Song, Xue-Ke; Ai, Qing; Qiu, Jing; Deng, Fu-Guo

    2016-05-01

    Three-level quantum systems, which possess some unique characteristics beyond two-level ones, such as electromagnetically induced transparency, coherent trapping, and Raman scatting, play important roles in solid-state quantum information processing. Here, we introduce an approach to implement the physically feasible three-level transitionless quantum driving with multiple Schrödinger dynamics (MSDs). It can be used to control accurately population transfer and entanglement generation for three-level quantum systems in a nonadiabatic way. Moreover, we propose an experimentally realizable hybrid architecture, based on two nitrogen-vacancy-center ensembles coupled to a transmission line resonator, to realize our transitionless scheme which requires fewer physical resources and simple procedures, and it is more robust against environmental noises and control parameter variations than conventional adiabatic passage techniques. All these features inspire the further application of MSDs on robust quantum information processing in experiment.

  2. A one-dimensional quantum walk with multiple-rotation on the coin

    NASA Astrophysics Data System (ADS)

    Xue, Peng; Zhang, Rong; Qin, Hao; Zhan, Xiang; Bian, Zhihao; Li, Jian

    2016-01-01

    We introduce and analyze a one-dimensional quantum walk with two time-independent rotations on the coin. We study the influence on the property of quantum walk due to the second rotation on the coin. Based on the asymptotic solution in the long time limit, a ballistic behaviour of this walk is observed. This quantum walk retains the quadratic growth of the variance if the combined operator of the coin rotations is unitary. That confirms no localization exhibits in this walk. This result can be extended to the walk with multiple time-independent rotations on the coin.

  3. A one-dimensional quantum walk with multiple-rotation on the coin.

    PubMed

    Xue, Peng; Zhang, Rong; Qin, Hao; Zhan, Xiang; Bian, Zhihao; Li, Jian

    2016-01-01

    We introduce and analyze a one-dimensional quantum walk with two time-independent rotations on the coin. We study the influence on the property of quantum walk due to the second rotation on the coin. Based on the asymptotic solution in the long time limit, a ballistic behaviour of this walk is observed. This quantum walk retains the quadratic growth of the variance if the combined operator of the coin rotations is unitary. That confirms no localization exhibits in this walk. This result can be extended to the walk with multiple time-independent rotations on the coin. PMID:26822563

  4. Multiple-quantum dynamics in NMR: A directed walk through Liouville space

    NASA Astrophysics Data System (ADS)

    Munowitz, Michael; Pines, Alexander; Mehring, Michael

    1987-03-01

    An approach to spin dynamics in systems with many degrees of freedom, based on a recognition of the constraints common to all large systems, is developed and used to study the excitation of multiple-quantum coherence under a nonsecular dipolar Hamiltonian. The exact equation of motion is replaced by a set of coupled rate equations whose exponential solutions reflect the severe damping expected when many closely spaced frequency components are superposed. In this model the evolution of multiple-quantum coherence under any bilinear Hamiltonian is treated as a succession of discrete hops in Liouville space, with each hop taking the system from a K-spin/n-quantum mode to a K'-spin/n'-quantum mode. In particular, for a pure double-quantum Hamiltonian the selection rules are ΔK=±1 and Δn=±2. The rate for each move depends on the number of Liouville states at the origin and destination, and on the total number of spins present. All rates are scaled uniformly by a factor dependent on the properties of the material, such as the dipolar linewidth, but otherwise the behavior predicted is universal for all sufficiently complicated systems. Results derived by this generic approach are compared to existing multiple-quantum data obtained from solids and liquid crystals.

  5. A probabilistic coding based quantum genetic algorithm for multiple sequence alignment.

    PubMed

    Huo, Hongwei; Xie, Qiaoluan; Shen, Xubang; Stojkovic, Vojislav

    2008-01-01

    This paper presents an original Quantum Genetic algorithm for Multiple sequence ALIGNment (QGMALIGN) that combines a genetic algorithm and a quantum algorithm. A quantum probabilistic coding is designed for representing the multiple sequence alignment. A quantum rotation gate as a mutation operator is used to guide the quantum state evolution. Six genetic operators are designed on the coding basis to improve the solution during the evolutionary process. The features of implicit parallelism and state superposition in quantum mechanics and the global search capability of the genetic algorithm are exploited to get efficient computation. A set of well known test cases from BAliBASE2.0 is used as reference to evaluate the efficiency of the QGMALIGN optimization. The QGMALIGN results have been compared with the most popular methods (CLUSTALX, SAGA, DIALIGN, SB_PIMA, and QGMALIGN) results. The QGMALIGN results show that QGMALIGN performs well on the presenting biological data. The addition of genetic operators to the quantum algorithm lowers the cost of overall running time.

  6. Surface Passivation by Quantum Exclusion Using Multiple Layers

    NASA Technical Reports Server (NTRS)

    Hoenk, Michael E. (Inventor)

    2013-01-01

    A semiconductor device has a multilayer doping to provide improved passivation by quantum exclusion. The multilayer doping includes a plurality M of doped layers, where M is an integer greater than 1. The dopant sheet densities in the M doped layers need not be the same, but in principle can be selected to be the same sheet densities or to be different sheet densities. M-1 interleaved layers provided between the M doped layers are not deliberately doped (also referred to as "undoped layers"). Structures with M=2, M=3 and M=4 have been demonstrated and exhibit improved passivation.

  7. Reliability assessment of multiple quantum well avalanche photodiodes

    NASA Technical Reports Server (NTRS)

    Yun, Ilgu; Menkara, Hicham M.; Wang, Yang; Oguzman, Isamil H.; Kolnik, Jan; Brennan, Kevin F.; May, Gray S.; Wagner, Brent K.; Summers, Christopher J.

    1995-01-01

    The reliability of doped-barrier AlGaAs/GsAs multi-quantum well avalanche photodiodes fabricated by molecular beam epitaxy is investigated via accelerated life tests. Dark current and breakdown voltage were the parameters monitored. The activation energy of the degradation mechanism and median device lifetime were determined. Device failure probability as a function of time was computed using the lognormal model. Analysis using the electron beam induced current method revealed the degradation to be caused by ionic impurities or contamination in the passivation layer.

  8. Entanglement distribution over quantum code-division multiple-access networks

    NASA Astrophysics Data System (ADS)

    Zhu, Chang-long; Yang, Nan; Liu, Yu-xi; Nori, Franco; Zhang, Jing

    2015-10-01

    We present a method for quantum entanglement distribution over a so-called code-division multiple-access network, in which two pairs of users share the same quantum channel to transmit information. The main idea of this method is to use different broadband chaotic phase shifts, generated by electro-optic modulators and chaotic Colpitts circuits, to encode the information-bearing quantum signals coming from different users and then recover the masked quantum signals at the receiver side by imposing opposite chaotic phase shifts. The chaotic phase shifts given to different pairs of users are almost uncorrelated due to the randomness of chaos and thus the quantum signals from different pair of users can be distinguished even when they are sent via the same quantum channel. It is shown that two maximally entangled states can be generated between two pairs of users by our method mediated by bright coherent lights, which can be more easily implemented in experiments compared with single-photon lights. Our method is robust under the channel noises if only the decay rates of the information-bearing fields induced by the channel noises are not quite high. Our study opens up new perspectives for addressing and transmitting quantum information in future quantum networks.

  9. Optimization schemes for efficient multiple exciton generation and extraction in colloidal quantum dots

    NASA Astrophysics Data System (ADS)

    Damtie, Fikeraddis A.; Karki, Khadga J.; Pullerits, Tõnu; Wacker, Andreas

    2016-08-01

    Multiple exciton generation (MEG) is a process in which more than one electron hole pair is generated per absorbed photon. It allows us to increase the efficiency of solar energy harvesting. Experimental studies have shown the multiple exciton generation yield of 1.2 in isolated colloidal quantum dots. However real photoelectric devices require the extraction of electron hole pairs to electric contacts. We provide a systematic study of the corresponding quantum coherent processes including extraction and injection and show that a proper design of extraction and injection rates enhances the yield significantly up to values around 1.6.

  10. Controlled quantum perfect teleportation of multiple arbitrary multi-qubit states

    NASA Astrophysics Data System (ADS)

    Shi, Runhua; Huang, Liusheng; Yang, Wei; Zhong, Hong

    2011-12-01

    We present an efficient controlled quantum perfect teleportation scheme. In our scheme, multiple senders can teleport multiple arbitrary unknown multi-qubit states to a single receiver via a previously shared entanglement state with the help of one or more controllers. Furthermore, our scheme has a very good performance in the measurement and operation complexity, since it only needs to perform Bell state and single-particle measurements and to apply Controlled-Not gate and other single-particle unitary operations. In addition, compared with traditional schemes, our scheme needs less qubits as the quantum resources and exchanges less classical information, and thus obtains higher communication efficiency.

  11. Simultaneous nano-tracking of multiple motor proteins via spectral discrimination of quantum dots

    PubMed Central

    Kakizuka, Taishi; Ikezaki, Keigo; Kaneshiro, Junichi; Fujita, Hideaki; Watanabe, Tomonobu M.; Ichimura, Taro

    2016-01-01

    Simultaneous nanometric tracking of multiple motor proteins was achieved by combining multicolor fluorescent labeling of target proteins and imaging spectroscopy, revealing dynamic behaviors of multiple motor proteins at the sub-diffraction-limit scale. Using quantum dot probes of distinct colors, we experimentally verified the localization precision to be a few nanometers at temporal resolution of 30 ms or faster. One-dimensional processive movement of two heads of a single myosin molecule and multiple myosin molecules was successfully traced. Furthermore, the system was modified for two-dimensional measurement and applied to tracking of multiple myosin molecules. Our approach is useful for investigating cooperative movement of proteins in supramolecular nanomachinery. PMID:27446684

  12. Enhancement of optical Kerr effect in quantum-cascade lasers with multiple resonance levels.

    PubMed

    Bai, Jing; Citrin, D S

    2008-08-18

    In this paper, we investigated the optical Kerr lensing effect in quantum-cascade lasers with multiple resonance levels. The Kerr refractive index n2 is obtained through the third-order susceptibility at the fundamental frequency chi(3)( omega; omega, omega,-omega). Resonant two-photon processes are found to have almost equal contributions to chi(3)( omega; omega, omega,-omega) as the single-photon processes, which result in the predicted enhancement of the positive nonlinear (Kerr) refractive index, and thus may enhance mode-locking of quantum-cascade lasers. Moreover, we also demonstrate an isospectral optimization strategy for further improving n2 through the band-structure design, in order to boost the multimode performance of quantum-cascade lasers. Simulation results show that the optimized stepwise multiple-quantum-well structure has n2 approximately 10-8 cm2/W, a twofold enhancement over the original flat quantum-well structure. This leads to a refractive-index change (delta)n of about 0.01, which is at the upper bound of those reported for typical Kerr medium. This stronger Kerr refractive index may be important for quantum-cascade lasers ultimately to demonstrate self-mode-locking.

  13. Impact ionization can explain carrier multiplication in PbSe quantum dots.

    PubMed

    Franceschetti, A; An, J M; Zunger, A

    2006-10-01

    The efficiency of conventional solar cells is limited because the excess energy of absorbed photons converts to heat instead of producing electron-hole pairs. Recently, efficient carrier multiplication has been observed in semiconductor quantum dots. In this process, a single, high-energy photon generates multiple electron-hole pairs. Rather exotic mechanisms have been proposed to explain the efficiency of carrier multiplication in PbSe quantum dots. Using atomistic pseudopotential calculations, we show here that the more conventional impact ionization mechanism, whereby a photogenerated electron-hole pair decays into a biexciton in a process driven by Coulomb interactions between the carriers, can explain both the rate (<1 ps) and the energy threshold ( approximately 2.2 times the band gap) of carrier multiplication, without the need to invoke alternative mechanisms.

  14. Precision Control of Multiple Quantum Cascade Lasers for Calibration Systems

    SciTech Connect

    Taubman, Matthew S.; Myers, Tanya L.; Pratt, Richard M.; Stahl, Robert D.; Cannon, Bret D.

    2014-01-15

    We present a precision, digitally interfaced current controller for quantum cascade lasers, with demonstrated DC and modulated temperature coefficients of 1- 2 ppm/ºC and 15 ppm/ºC respectively. High linearity digital to analog converters (DACs) together with an ultra-precision voltage reference, produce highly stable, precision voltages. These are in turn selected by a low charge-injection multiplexer (MUX) chip, which are then used to set output currents via a linear current regulator. The controller is operated in conjunction with a power multiplexing unit, allowing one of three lasers to be driven by the controller while ensuring protection of controller and all lasers during operation, standby and switching. Simple ASCII commands sent over a USB connection to a microprocessor located in the current controller operate both the controller (via the DACs and MUX chip) and the power multiplexer.

  15. Precision control of multiple quantum cascade lasers for calibration systems

    SciTech Connect

    Taubman, Matthew S. Myers, Tanya L.; Pratt, Richard M.; Stahl, Robert D.; Cannon, Bret D.

    2014-01-15

    We present a precision, 1-A, digitally interfaced current controller for quantum cascade lasers, with demonstrated temperature coefficients for continuous and 40-kHz full-depth square-wave modulated operation, of 1–2 ppm/ °C and 15 ppm/ °C, respectively. High precision digital to analog converters (DACs) together with an ultra-precision voltage reference produce highly stable, precision voltages, which are selected by a multiplexer (MUX) chip to set output currents via a linear current regulator. The controller is operated in conjunction with a power multiplexing unit, allowing one of three lasers to be driven by the controller, while ensuring protection of controller and all lasers during operation, standby, and switching. Simple ASCII commands sent over a USB connection to a microprocessor located in the current controller operate both the controller (via the DACs and MUX chip) and the power multiplexer.

  16. Precision control of multiple quantum cascade lasers for calibration systems.

    PubMed

    Taubman, Matthew S; Myers, Tanya L; Pratt, Richard M; Stahl, Robert D; Cannon, Bret D

    2014-01-01

    We present a precision, 1-A, digitally interfaced current controller for quantum cascade lasers, with demonstrated temperature coefficients for continuous and 40-kHz full-depth square-wave modulated operation, of 1-2 ppm/ °C and 15 ppm/ °C, respectively. High precision digital to analog converters (DACs) together with an ultra-precision voltage reference produce highly stable, precision voltages, which are selected by a multiplexer (MUX) chip to set output currents via a linear current regulator. The controller is operated in conjunction with a power multiplexing unit, allowing one of three lasers to be driven by the controller, while ensuring protection of controller and all lasers during operation, standby, and switching. Simple ASCII commands sent over a USB connection to a microprocessor located in the current controller operate both the controller (via the DACs and MUX chip) and the power multiplexer.

  17. Surface Passivation by Quantum Exclusion Using Multiple Layers

    NASA Technical Reports Server (NTRS)

    Hoenk, Michael E. (Inventor)

    2015-01-01

    A semiconductor device has a multilayer doping to provide improved passivation by quantum exclusion. The multilayer doping includes at least two doped layers fabricated using MBE methods. The dopant sheet densities in the doped layers need not be the same, but in principle can be selected to be the same sheet densities or to be different sheet densities. The electrically active dopant sheet densities are quite high, reaching more than 1.times.10.sup.14 cm.sup.-2, and locally exceeding 10.sup.22 per cubic centimeter. It has been found that silicon detector devices that have two or more such dopant layers exhibit improved resistance to degradation by UV radiation, at least at wavelengths of 193 nm, as compared to conventional silicon p-on-n devices.

  18. Ballistic effects and intersubband excitations in multiple quantum well structures

    NASA Astrophysics Data System (ADS)

    Schneider, H.; Schönbein, C.; Schwarz, K.; Walther, M.

    1998-07-01

    We have studied the transport properties of electrons in asymmetric quantum well structures upon far-infrared optical excitation of carriers from the lowest subband into the continuum. Here the photocurrent consists of a coherent component originating from ballistic transport upon excitation, and of an incoherent part associated with asymmetric diffusion and relaxation processes, which occur after the coherence has been lost. The signature of the coherent contribution is provided by a sign reversal of the photocurrent upon changing the excitation energy. This sign reversal arises from the energy-dependent interference between continuum states, which have a twofold degeneracy characterized by positive and negative momenta. The interference effect also allows us to estimate the coherent mean free path ( >20 nm at 77K). In specifically designed device structures, we use both the coherent and incoherent components in order to achieve a pronounced photovoltaic infrared response for detector applications.

  19. Interface and photoluminescence characteristics of graphene-(GaN/InGaN)n multiple quantum wells hybrid structure

    NASA Astrophysics Data System (ADS)

    Wang, Liancheng; Liu, Zhiqiang; Zhang, Zi-Hui; Tian, Ying Dong; Yi, Xiaoyan; Wang, Junxi; Li, Jinmin; Wang, Guohong

    2016-04-01

    The effects of graphene on the optical properties of active system, e.g., the InGaN/GaN multiple quantum wells, are thoroughly investigated and clarified. Here, we have investigated the mechanisms accounting for the photoluminescence reduction for the graphene covered GaN/InGaN multiple quantum wells hybrid structure. Compared to the bare multiple quantum wells, the photoluminescence intensity of graphene covered multiple quantum wells showed a 39% decrease after excluding the graphene absorption losses. The responsible mechanisms have been identified with the following factors: (1) the graphene two dimensional hole gas intensifies the polarization field in multiple quantum wells, thus steepening the quantum well band profile and causing hole-electron pairs to further separate; (2) a lower affinity of graphene compared to air leading to a weaker capability to confine the excited hot electrons in multiple quantum wells; and (3) exciton transfer through non-radiative energy transfer process. These factors are theoretically analysed based on advanced physical models of semiconductor devices calculations and experimentally verified by varying structural parameters, such as the indium fraction in multiple quantum wells and the thickness of the last GaN quantum barrier spacer layer.

  20. Quantum correlations of magnetic impurities by a multiple electron scattering in carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Gamboa Angulo, Didier; Cordourier Maruri, Guillermo; de Coss Gómez, Romeo

    In this work we analyze the quantum correlations and polarizations states of magnetic impurities spins, when a multiple electron scattering was taken place. A sequence of non-correlated electrons interacts through scattering producing quantum correlation which will have an impact on the electronic transmission. We consider a short range Heisenberg interaction between ballistic electron and static impurities. We analyze the cases when the electron scattering is produce by one and two impurities, obtaining the electronic transmission rates. Concurrence and fidelity calculations are performed to obtain the level of quantum entanglement and polarization correlations. We also discuss the possible application of this model to metallic and semiconductor carbon nanotubes, which could have important implications on spintronics and quantum information devices.

  1. Intersubband Transition in GaN/InGaN Multiple Quantum Wells

    PubMed Central

    Chen, G.; Wang, X. Q.; Rong, X.; Wang, P.; Xu, F. J.; Tang, N.; Qin, Z. X.; Chen, Y. H.; Shen, B.

    2015-01-01

    Utilizing the growth temperature controlled epitaxy, high quality GaN/In0.15Ga0.85N multiple quantum wells designed for intersubband transition (ISBT) as novel candidates in III-nitride infrared device applications have been experimentally realized for the first time. Photo-absorption originated from the ISBT has been successfully observed at infrared regime covering the 3–5 μm atmosphere window, where the central absorption wavelength is modulated by adjusting the quantum well width. With increasing the quantum well thickness, the ISBT center wave length blue shifts at thickness less than 2.8 nm and then redshifts with further increase of the well thickness. The non-monotonic trend is most likely due to the polarization induced asymmetric shape of the quantum wells. PMID:26089133

  2. Quantifying coherence and entanglement in trapped ions using the multiple quantum spectrum

    NASA Astrophysics Data System (ADS)

    Gaerttner, Martin; Safavi-Naini, Arghavan; Wall, Michael; Bohnet, Justin; Sawyer, Brian; Britton, Joseph; Bollinger, John; Rey, Ana Maria

    2016-05-01

    The multiple quantum coherence (MQC) spectrum of a quantum state, originally introduced for highly mixed states in the context of NMR, quantifies coherence between different magnetization sectors. The MQC spectrum of a spin system is measurable by a sequence of rotations and evolution under an interaction Hamiltonian, provided that the evolution can be time reversed. Such a many-body echo can be realized in systems of trapped ions. We study the relation of the multiple quantum intensities with entanglement measures and witnesses such as Fisher information and concurrence and discuss the impact of decoherence mechanisms present in current trapped ion experiments on the proposed scheme for measuring the MQC spectrum. Supported by: JILA-NSF-PFC-1125844, NSF-PHY-1521080, ARO, AFOSR, AFOSR-MURI.

  3. Multi-bands photoconductive response in AlGaN/GaN multiple quantum wells

    SciTech Connect

    Chen, G.; Rong, X.; Xu, F. J.; Tang, N.; Wang, X. Q. Shen, B.; Fu, K.; Zhang, B. S.; Hashimoto, H.; Yoshikawa, A.; Ge, W. K.

    2014-04-28

    Based on the optical transitions among the quantum-confined electronic states in the conduction band, we have fabricated multi-bands AlGaN/GaN quantum well infrared photodetectors. Crack-free AlGaN/GaN multiple quantum wells (MQWs) with atomically sharp interfaces have been achieved by inserting an AlN interlayer, which releases most of the tensile strain in the MQWs grown on the GaN underlayer. With significant reduction of dark current by using thick AlGaN barriers, photoconductive responses are demonstrated due to intersubband transition in multiple regions with center wavelengths of 1.3, 2.3, and 4 μm, which shows potential applications on near infrared detection.

  4. Low-dimensional CdS/CdTe multiple-quantum well heterostructure for optical refrigeration

    NASA Astrophysics Data System (ADS)

    Tarín-Cordero, Julio C.; Villa-Angulo, Rafael; Villa-Angulo, José R.; Villa-Angulo, Carlos

    2015-01-01

    The major challenge for semiconductors to achieve temperatures below 10 K by luminescence upconversion, is that at these lattice temperatures the acoustic phonon component dominates and the scattering rate becomes comparable to the band-to-band radiative transition rate. This problem can be significantly alleviated by employing quantum-confined systems, where relaxation of wave-vector conservation in the confined direction reduces material conductivity by nearly three orders of magnitude. Although previous studies have reported theoretical and experimental analyses of cooling characteristics for bulk semiconductors, the electron band-to-band transition due to photon absorption or photon emission under cooling conditions in quantum-confined semiconductor systems which exhibit quantum effects at the dimensions of several nanometers have not been completely analyzed in conventional theoretical studies. We realized a numerical investigation of optical cooling conditions for a low-dimensional CdS/CdTe multiple-quantum well heterostructure where injected carriers in the active region are quantum mechanically confined in one dimension. Effects of such quantum mechanically confined carriers on photon absorption and photoluminescence (PL) were analyzed under cooling conditions. Most importantly, the CdS/CdTe heterostructure absorption and PL spectra for cooling conditions were defined in terms of the active layer width and number of quantum wells in the complete heterostructure.

  5. An optimized quantum information splitting scheme with multiple controllers

    NASA Astrophysics Data System (ADS)

    Jiang, Min

    2016-09-01

    We propose an efficient scheme for splitting multi-qudit information with cooperative control of multiple agents. Each controller is assigned one controlling qudit, and he can monitor the state sharing of all multi-qudit information. Compared with the existing schemes, our scheme requires less resource consumption and approaches higher communication efficiency. In addition, our proposal involves only generalized Bell-state measurement, single-qudit measurement, one-qudit gates and a unitary-reduction operation, which makes it flexible and achievable for physical implementation.

  6. Manipulation of nanoscale V-pits to optimize internal quantum efficiency of InGaN multiple quantum wells

    SciTech Connect

    Chang, Chiao-Yun; Li, Heng; Shih, Yang-Ta; Lu, Tien-Chang

    2015-03-02

    We systematically investigated the influence of nanoscale V-pits on the internal quantum efficiency (IQE) of InGaN multiple quantum wells (MQWs) by adjusting the underlying superlattices (SLS). The analysis indicated that high barrier energy of sidewall MQWs on V-pits and long diffusion distance between the threading dislocation (TD) center and V-pit boundary were crucial to effectively passivate the non-radiative centers of TDs. For a larger V-pit, the thicker sidewall MQW on V-pit would decrease the barrier energy. On the contrary, a shorter distance between the TD center and V-pit boundary would be observed in a smaller V-pit, which could increase the carrier capturing capability of TDs. An optimized V-pit size of approximately 200–250 nm in our experiment could be concluded for MQWs with 15 pairs SLS, which exhibited an IQE value of 70%.

  7. Photon drag in single and multiple two-level quantum wells

    NASA Astrophysics Data System (ADS)

    Chen, Xin; Keller, Ole

    1997-06-01

    Starting from a density-matrix operator description we derive an expression for the photon-drag response tensor of a quantum-well system containing an arbitrary number of subbands. Subsequently we analyze the structure of the nonlinear response tensor and make a specialization to the case of a two-level quantum well. In the wake of a self-consistent calculation of the local fields in a two-level well and in multiple quantum wells the photon-drag currents are determined. We illustrate the main ingredients of our theory by carrying out a number of numerical calculations of the drag current in a 15-Å wide niobium quantum well deposited on a crystalline quartz substrate and a GaAs/AlxGa1-xAs multiple-quantum-well structure. In particular we pay attention to the frequency, angle of incidence, and number of wells dependencies of the current, and we demonstrate that local-field effects may give rise to a significant blueshift and an asymmetric form of the resonance peak.

  8. Carrier multiplication detected through transient photocurrent in device-grade films of lead selenide quantum dots

    DOE PAGES

    Gao, Jianbo; Fidler, Andrew F.; Klimov, Victor I.

    2015-09-08

    In carrier multiplication, the absorption of a single photon results in two or more electron–hole pairs. Quantum dots are promising materials for implementing carrier multiplication principles in real-life technologies. So far, however, most of research in this area has focused on optical studies of solution samples with yet to be proven relevance to practical devices. We report ultra-fast electro-optical studies of device-grade films of electronically coupled quantum dots that allow us to observe multiplication directly in the photocurrent. Our studies help rationalize previous results from both optical spectroscopy and steady-state photocurrent measurements and also provide new insights into effects ofmore » electric field and ligand treatments on multiexciton yields. Importantly, we demonstrate that using appropriate chemical treatments of the films, extra charges produced by carrier multiplication can be extracted from the quantum dots before they are lost to Auger recombination and hence can contribute to photocurrent of practical devices.« less

  9. Multiple exciton generation in nanocrystal quantum dots--controversy, current status and future prospects.

    PubMed

    Binks, David J

    2011-07-28

    Multiple exciton generation is a process that can occur in quantum dots by which the energy of an absorbed photon in excess of the bandgap can be used to create one or more additional excitons instead of being wasted as heat. This effect has received considerable interest because it has the potential to significantly enhance the performance of solar cells, nanocrystal lasers, high speed electronic devices and photocatalysts. However, measuring the efficiency of multiple exciton generation is experimentally challenging and the results of these measurements have been the subject of some controversy. This Perspective describes the techniques used to determine the quantum yield of multiexcitons in nanocrystals and also details the experimental artefacts that can confuse these measurements and have been the source of much of the recent debate. The greater understanding of these artefacts that has emerged recently and the experimental techniques developed to eliminate their effects on quantum yield measurements will also be described. The efficiency of multiple exciton generation currently obtainable from nanocrystals and its potential impact on solar cell performance is assessed in the light of this improved experimental understanding. Whilst it is found the quantum yields thus far reported are insufficient to result in more than a modest increase in solar cell efficiency, an analysis of the expected performance of a nanocrystal engineered to maximise multiple exciton generation indicates that a significant improvement in solar cell performance is possible. Moreover, a nanocrystal design is proposed for optimised efficiency of multiple exciton generation which would allow its potential benefit to solar power production to be realised.

  10. Highly efficient multiple-layer CdS quantum dot sensitized III-V solar cells.

    PubMed

    Lin, Chien-Chung; Han, Hau-Vei; Chen, Hsin-Chu; Chen, Kuo-Ju; Tsai, Yu-Lin; Lin, Wein-Yi; Kuo, Hao-Chung; Yu, Peichen

    2014-02-01

    In this review, the concept of utilization of solar spectrum in order to increase the solar cell efficiency is discussed. Among the three mechanisms, down-shifting effect is investigated in detail. Organic dye, rare-earth minerals and quantum dots are three most popular down-shift materials. While the enhancement of solar cell efficiency was not clearly observed in the past, the advances in quantum dot fabrication have brought strong response out of the hybrid platform of a quantum dot solar cell. A multiple layer structure, including PDMS as the isolation layer, is proposed and demonstrated. With the help of pulse spray system, precise control can be achieved and the optimized concentration can be found.

  11. Green light emission by InGaN/GaN multiple-quantum-well microdisks

    SciTech Connect

    Hsu, Yu-Chi; Lo, Ikai Shih, Cheng-Hung; Pang, Wen-Yuan; Hu, Chia-Hsuan; Wang, Ying-Chieh; Tsai, Cheng-Da; Chou, Mitch M. C.; Hsu, Gary Z. L.

    2014-03-10

    The high-quality In{sub x}Ga{sub 1−x}N/GaN multiple quantum wells were grown on GaN microdisks with γ-LiAlO{sub 2} substrate by using low-temperature two-step technique of plasma-assisted molecular beam epitaxy. We demonstrated that the hexagonal GaN microdisk can be used as a strain-free substrate to grow the advanced In{sub x}Ga{sub 1−x}N/GaN quantum wells for the optoelectronic applications. We showed that the green light of 566-nm wavelength (2.192 eV) emitted from the In{sub x}Ga{sub 1−x}N/GaN quantum wells was tremendously enhanced in an order of amplitude higher than the UV light of 367-nm wavelength (3.383 eV) from GaN.

  12. Code-division multiple-access multiuser demodulator by using quantum fluctuations.

    PubMed

    Otsubo, Yosuke; Inoue, Jun-Ichi; Nagata, Kenji; Okada, Masato

    2014-07-01

    We examine the average-case performance of a code-division multiple-access (CDMA) multiuser demodulator in which quantum fluctuations are utilized to demodulate the original message within the context of Bayesian inference. The quantum fluctuations are built into the system as a transverse field in the infinite-range Ising spin glass model. We evaluate the performance measurements by using statistical mechanics. We confirm that the CDMA multiuser modulator using quantum fluctuations achieve roughly the same performance as the conventional CDMA multiuser modulator through thermal fluctuations on average. We also find that the relationship between the quality of the original information retrieval and the amplitude of the transverse field is somehow a "universal feature" in typical probabilistic information processing, viz., in image restoration, error-correcting codes, and CDMA multiuser demodulation.

  13. High-resolution multiple quantum MAS NMR spectroscopy of half-integer quadrupolar nuclei

    NASA Astrophysics Data System (ADS)

    Wu, Gang; Rovnyank, David; Sun, Boqin; Griffin, Robert G.

    1996-02-01

    We demonstrate the utility of a two-pulse sequence in obtaining high-resolution solid state NMR spectra of half-integer quadrupolar nuclei with magic-angle-spinning (MAS). The experiment, which utilizes multiple/single-quantum correlation, was first described in a different form by Frydman and Harwood [J. Am. Chem. Soc. 117 (1995) 5367] and yields high-resolution isotropic NMR spectra where shifts are determined by the sum of resonance offset (chemical shift) and second-order quadrupolar effects. The two-pulse sequence described here is shown to provide a higher and more uniform excitation of multiple-quantum coherence than the three-pulse sequence used previously.

  14. Theoretical study of polarization insensitivity of carrier-induced refractive index change of multiple quantum well.

    PubMed

    Miao, Qingyuan; Zhou, Qunjie; Cui, Jun; He, Ping-An; Huang, Dexiu

    2014-12-29

    Characteristics of polarization insensitivity of carrier-induced refractive index change of 1.55 μm tensile-strained multiple quantum well (MQW) are theoretically investigated. A comprehensive MQW model is proposed to effectively extend the application range of previous models. The model considers the temperature variation as well as the nonuniform distribution of injected carrier in MQW. Tensile-strained MQW is expected to achieve polarization insensitivity of carrier-induced refractive index change over a wide wavelength range as temperature varies from 0°C to 40°C, while the magnitude of refractive index change keeps a large value (more than 3 × 10-3). And that the polarization insensitivity of refractive index change can maintain for a wide range of carrier concentration. Multiple quantum well with different material and structure parameters is anticipated to have the similar polarization insensitivity of refractive index change, which shows the design flexibility.

  15. Theoretical study of polarization insensitivity of carrier-induced refractive index change of multiple quantum well.

    PubMed

    Miao, Qingyuan; Zhou, Qunjie; Cui, Jun; He, Ping-An; Huang, Dexiu

    2014-12-29

    Characteristics of polarization insensitivity of carrier-induced refractive index change of 1.55 μm tensile-strained multiple quantum well (MQW) are theoretically investigated. A comprehensive MQW model is proposed to effectively extend the application range of previous models. The model considers the temperature variation as well as the nonuniform distribution of injected carrier in MQW. Tensile-strained MQW is expected to achieve polarization insensitivity of carrier-induced refractive index change over a wide wavelength range as temperature varies from 0°C to 40°C, while the magnitude of refractive index change keeps a large value (more than 3 × 10-3). And that the polarization insensitivity of refractive index change can maintain for a wide range of carrier concentration. Multiple quantum well with different material and structure parameters is anticipated to have the similar polarization insensitivity of refractive index change, which shows the design flexibility. PMID:25607157

  16. Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules

    SciTech Connect

    Krasnoshchekov, Sergey V.; Stepanov, Nikolay F.

    2013-11-14

    In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.

  17. Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules.

    PubMed

    Krasnoshchekov, Sergey V; Stepanov, Nikolay F

    2013-11-14

    In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra. PMID:24320248

  18. Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules

    NASA Astrophysics Data System (ADS)

    Krasnoshchekov, Sergey V.; Stepanov, Nikolay F.

    2013-11-01

    In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.

  19. Entropic Uncertainty Relation and Information Exclusion Relation for multiple measurements in the presence of quantum memory

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Zhang, Yang; Yu, Chang-Shui

    2015-06-01

    The Heisenberg uncertainty principle shows that no one can specify the values of the non-commuting canonically conjugated variables simultaneously. However, the uncertainty relation is usually applied to two incompatible measurements. We present tighter bounds on both entropic uncertainty relation and information exclusion relation for multiple measurements in the presence of quantum memory. As applications, three incompatible measurements on Werner state and Horodecki’s bound entangled state are investigated in details.

  20. Quantum Simulation of Multiple-Exciton Generation in a Nanocrystal by a Single Photon

    SciTech Connect

    Witzel, Wayne M.; Shabaev, Andrew; Hellberg, C. Stephen; Jacobs, Verne L.; Efros, Alexander L.

    2010-09-22

    We have shown theoretically that efficient multiple-exciton generation (MEG) by a single photon can be observed in small nanocrystals. Our quantum simulations that include hundreds of thousands of exciton and multiexciton states demonstrate that the complex time-dependent dynamics of these states in a closed electronic system yields a saturated MEG effect on a picosecond time scale. Including phonon relaxation confirms that efficient MEG requires the exciton-biexciton coupling time to be faster than exciton relaxation time.

  1. Entropic Uncertainty Relation and Information Exclusion Relation for multiple measurements in the presence of quantum memory.

    PubMed

    Zhang, Jun; Zhang, Yang; Yu, Chang-shui

    2015-01-01

    The Heisenberg uncertainty principle shows that no one can specify the values of the non-commuting canonically conjugated variables simultaneously. However, the uncertainty relation is usually applied to two incompatible measurements. We present tighter bounds on both entropic uncertainty relation and information exclusion relation for multiple measurements in the presence of quantum memory. As applications, three incompatible measurements on Werner state and Horodecki's bound entangled state are investigated in details. PMID:26118488

  2. Resonant enhancement of the photocurrent in multiple-quantum-well photovoltaic devices

    SciTech Connect

    Raisky, O.Y.; Wang, W.B.; Alfano, R.R.; Reynolds, C.L. Jr.; Stampone, D.V.; Focht, M.W.

    1999-01-01

    Sequential resonant tunneling is proposed to enhance the photocurrent and reduce recombination losses in photovoltaic devices based on multiple-quantum-well (MQW) heterostructures. An InGaAsP/InP MQW {ital p{endash}i{endash}n} diode with built-in sequential resonant tunneling has been fabricated, and demonstrates an increase in the photocurrent and reduction in photoluminescence intensity. These effects are attributed to the resonance tunneling effect. {copyright} {ital 1999 American Institute of Physics.}

  3. Tailoring the spin polarization in Ge/SiGe multiple quantum wells

    SciTech Connect

    Giorgioni, Anna; Pezzoli, Fabio; Gatti, Eleonora; Grilli, Emanuele; Guzzi, Mario; Bottegoni, Federico; Cecchi, Stefano; Ciccacci, Franco; Isella, Giovanni; Trivedi, Dhara; Song, Yang; Li, Pengki; Dery, Hanan

    2013-12-04

    We performed spin-resolved photoluminescence measurements on Ge/SiGe multiple quantum wells with different well thickness and using different exciting power densities. The polarization of the direct emission strongly depends on the relative weight of electrons photoexcited from the light and the heavy hole subbands. The study of the polarization as a function of the exciting power highlights the role of the carrier-carrier interactions in determining spin depolarization.

  4. Multiple-quantum NMR studies of spin clusters in liquid crystals and zeolites

    SciTech Connect

    Pearson, J. . Dept. of Chemistry Lawrence Berkeley Lab., CA )

    1991-07-01

    This work will describe the use of MQ NMR to study spin clusters in anisotropic materials. A technique known as multiple-quantum spin counting was used to determine average spin cluster sizes liquid crystalline materials and in faujacitic zeolites containing aromatic hydrocarbons. The first half of the thesis will describe MQ NMR and the MQ spin counting technique, and the second half of the thesis will describe the actual experiments and their results.

  5. Entropic Uncertainty Relation and Information Exclusion Relation for multiple measurements in the presence of quantum memory.

    PubMed

    Zhang, Jun; Zhang, Yang; Yu, Chang-shui

    2015-06-29

    The Heisenberg uncertainty principle shows that no one can specify the values of the non-commuting canonically conjugated variables simultaneously. However, the uncertainty relation is usually applied to two incompatible measurements. We present tighter bounds on both entropic uncertainty relation and information exclusion relation for multiple measurements in the presence of quantum memory. As applications, three incompatible measurements on Werner state and Horodecki's bound entangled state are investigated in details.

  6. The use of a selective saturation pulse to suppress t1 noise in two-dimensional (1)H fast magic angle spinning solid-state NMR spectroscopy.

    PubMed

    Robertson, Aiden J; Pandey, Manoj Kumar; Marsh, Andrew; Nishiyama, Yusuke; Brown, Steven P

    2015-11-01

    A selective saturation pulse at fast magic angle spinning (MAS) frequencies (60+kHz) suppresses t1 noise in the indirect dimension of two-dimensional (1)H MAS NMR spectra. The method is applied to a synthetic nucleoside with an intense methyl (1)H signal due to triisopropylsilyl (TIPS) protecting groups. Enhanced performance in terms of suppressing the methyl signal while minimising the loss of signal intensity of nearby resonances of interest relies on reducing spin diffusion--this is quantified by comparing two-dimensional (1)H NOESY-like spin diffusion spectra recorded at 30-70 kHz MAS. For a saturation pulse centred at the methyl resonance, the effect of changing the nutation frequency at different MAS frequencies as well as the effect of changing the pulse duration is investigated. By applying a pulse of duration 30 ms and nutation frequency 725 Hz at 70 kHz MAS, a good compromise of significant suppression of the methyl resonance combined with the signal intensity of resonances greater than 5 ppm away from the methyl resonance being largely unaffected is achieved. The effectiveness of using a selective saturation pulse is demonstrated for both homonuclear (1)H-(1)H double quantum (DQ)/single quantum (SQ) MAS and (14)N-(1)H heteronuclear multiple quantum coherence (HMQC) two-dimensional solid-state NMR experiments.

  7. Transmission coefficients for chemical reactions with multiple states: role of quantum decoherence.

    PubMed

    de la Lande, Aurélien; Řezáč, Jan; Lévy, Bernard; Sanders, Barry C; Salahub, Dennis R

    2011-03-23

    Transition-state theory (TST) is a widely accepted paradigm for rationalizing the kinetics of chemical reactions involving one potential energy surface (PES). Multiple PES reaction rate constants can also be estimated within semiclassical approaches provided the hopping probability between the quantum states is taken into account when determining the transmission coefficient. In the Marcus theory of electron transfer, this hopping probability was historically calculated with models such as Landau-Zener theory. Although the hopping probability is intimately related to the question of the transition from the fully quantum to the semiclassical description, this issue is not adequately handled in physicochemical models commonly in use. In particular, quantum nuclear effects such as decoherence or dephasing are not present in the rate constant expressions. Retaining the convenient semiclassical picture, we include these effects through the introduction of a phenomenological quantum decoherence function. A simple modification to the usual TST rate constant expression is proposed: in addition to the electronic coupling, a characteristic decoherence time τ(dec) now also appears as a key parameter of the rate constant. This new parameter captures the idea that molecular systems, although intrinsically obeying quantum mechanical laws, behave semiclassically after a finite but nonzero amount of time (τ(dec)). This new degree of freedom allows a fresh look at the underlying physics of chemical reactions involving more than one quantum state. The ability of the proposed formula to describe the main physical lines of the phenomenon is confirmed by comparison with results obtained from density functional theory molecular dynamics simulations for a triplet to singlet transition within a copper dioxygen adduct relevant to the question of dioxygen activation by copper monooxygenases.

  8. Semiconductor Quantum Dots and Quantum Dot Arrays and Applications of Multiple Exciton Generation to Third-Generation Photovoltaic Solar Cells

    SciTech Connect

    Nozik, Arthur J.; Beard, Matthew C.; Luther, Joseph M.; Law, Matt; Ellingson, Randy J.; Johnson, Justin C.

    2010-10-14

    Here, we will first briefly summarize the general principles of QD synthesis using our previous work on InP as an example. Then we will focus on QDs of the IV-VI Pb chalcogenides (PbSe, PbS, and PbTe) and Si QDs because these were among the first QDs that were reported to produce multiple excitons upon absorbing single photons of appropriate energy (a process we call multiple exciton generation (MEG)). We note that in addition to Si and the Pb-VI QDs, two other semiconductor systems (III-V InP QDs(56) and II-VI core-shell CdTe/CdSe QDs(57)) were very recently reported to also produce MEG. Then we will discuss photogenerated carrier dynamics in QDs, including the issues and controversies related to the cooling of hot carriers and the magnitude and significance of MEG in QDs. Finally, we will discuss applications of QDs and QD arrays in novel quantum dot PV cells, where multiple exciton generation from single photons could yield significantly higher PV conversion efficiencies.

  9. Picoliter 1H NMR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Minard, Kevin R.; Wind, Robert A.

    2002-02-01

    In this study, a 267-μm-diameter solenoid transceiver is used to acquire localized 1H NMR spectra and the measured signal-to-noise ratio (SNR) at 500 MHz is shown to be within 20-30% of theoretical limits formulated by considering only its resistive losses. This is illustrated using a 100-μm-diameter globule of triacylglycerols (∼900 mM) that may be an oocyte precursor in young Xenopus laevis frogs and a water sample containing choline at a concentration often found in live mammalian cells (∼33 mM). In chemical shift imaging (CSI) experiments performed using a few thousand total scans, the choline methyl line is shown to have an acceptable SNR in resolved volume elements containing only 50 pL of sample, and localized spectra are resolved from just 5 pL in the Xenopus globule. These findings demonstrate the feasibility of performing 1H NMR on picoliter-scale sample volumes in biological cells and tissues and illustrate how the achieved SNR in spectroscopic images can be predicted with reasonable accuracy at microscopic spatial resolutions.

  10. Very simple combination of TROSY, CRINEPT and multiple quantum coherence for signal enhancement in an HN(CO)CA experiment for large proteins

    NASA Astrophysics Data System (ADS)

    Bayrhuber, Monika; Riek, Roland

    2011-04-01

    Sensitivity enhancement in liquid state nuclear magnetic resonance (NMR) triple resonance experiments for the sequential assignment of proteins is important for the investigation of large proteins or protein complexes. We present here the 3D TROSY-MQ/CRINEPT-HN(CO)CA which makes use of a 15N- 1H-TROSY element and a 13C'- 13CA CRINEPT step combined with a multiple quantum coherence during the 13CA evolution period. Because of the introduction of these relaxation-optimized elements and 10 less pulses required, when compared with the conventional TROSY-HN(CO)CA experiment an average signal enhancement of a factor of 1.8 was observed for the membrane protein-detergent complex KcsA with a rotational correlation time τ c of around 60 ns.

  11. Ultrafast Optical Studies of Multiple Exciton Generation in Lead Chalcogenide Quantum Dots

    NASA Astrophysics Data System (ADS)

    Midgett, Aaron G.

    2011-12-01

    Providing affordable, clean energy is one of the major challenges facing society today, and one of the promising solutions is third generation solar energy conversion. Present day, first and second-generation solar cells can at most convert each absorbed photon into a single electron hole pair, thereby establishing a theoretical limit to the power conversion efficiency. The process of multiple exciton generation (MEG) in semiconductor quantum dots increases that theoretical efficiency from 33% to 42% by utilizing the excess energy of high energy photons that is otherwise wasted as heat to excite a second electron-hole pair, thereby boosting the potential photocurrent. This thesis explores the benefits of MEG in quantum confined systems and shows that quantum dots are more efficient at generating multiple excitons from a single photon than bulk semiconductors. The variations in optical measurements of MEG have raised skepticism and brought into question the validity of these experiments. The two important questions that this thesis attempts to address are (1) what are the enhanced QYs in isolated PbSe QDs and (2) does quantum confinement enhance MEG over bulk semiconductors. Experimental variations in the enhanced QYs are partially explained by the production of a long-lived photocharged state that increases the apparent photon-to-exciton QYs. A procedure is detailed that decreases the possibility of producing this charged state. By studying the production of these states, conditions are found that minimize their effect and produce less variation in the reported QYs. Variations in the MEG efficiency were studied in films of chemically treated PbSe quantum dots where a different mechanism was responsible for an apparent decrease of the measured QYs. Finally, for the first time, a quantum dot size-dependence in the MEG efficiency was found in colloidal PbSe, PbS, and PbSxSe1-x quantum dot solutions and is attributed to the increased Coulomb interaction in materials

  12. Third generation photovoltaics based on multiple exciton generation in quantum confined semiconductors.

    PubMed

    Beard, Matthew C; Luther, Joseph M; Semonin, Octavi E; Nozik, Arthur J

    2013-06-18

    Improving the primary photoconversion process in a photovoltaiccell by utilizing the excess energy that is otherwise lost as heat can lead to an increase in the overall power conversion efficiency (PCE). Semiconductor nanocrystals (NCs) with at least one dimension small enough to produce quantum confinement effects provide new ways of controlling energy flow not achievable in thin film or bulk semiconductors. Researchers have developed various strategies to incorporate these novel structures into suitable solar conversion systems. Some of these methods could increase the PCE past the Shockley-Queisser (SQ) limit of ∼33%, making them viable "third generation photovoltaic" (TGPV) cell architectures. Surpassing the SQ limit for single junction solar cells presents both a scientific and a technological challenge, and the use of semiconductor NCs to enhance the primary photoconversion process offers a promising potential solution. The NCs are synthesized via solution phase chemical reactions producing stable colloidal solutions, where the reaction conditions can be modified to produce a variety of shapes, compositions, and structures. The confinement of the semiconductor NC in one dimension produces quantum films, wells, or discs. Two-dimensional confinement leads to quantum wires or rods (QRs), and quantum dots (QDs) are three-dimensionally confined NCs. The process of multiple exciton generation (MEG) converts a high-energy photon into multiple electron-hole pairs. Although many studies have demonstrated that MEG is enhanced in QDs compared with bulk semiconductors, these studies have either used ultrafast spectroscopy to measure the photon-to-exciton quantum yields (QYs) or theoretical calculations. Implementing MEG in a working solar cell has been an ongoing challenge. In this Account, we discuss the status of MEG research and strategies towards implementing MEG in working solar cells. Recently we showed an external quantum efficiency for photocurrent of greater

  13. Internal quantum efficiency improvement of InGaN/GaN multiple quantum well green light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Znajdek, K.; SibińSki, M.; StrąKowska, A.; Lisik, Z.

    2016-01-01

    In recent years, GaN-based light-emitting diode (LED) has been widely used in various applications, such as RGB lighting system, full-colour display and visible-light communication. However, the internal quantum efficiency (IQE) of green LEDs is significantly lower than that of other visible spectrum LED. This phenomenon is called "green gap". This paper briefly describes the physical mechanism of the low IQE for InGaN/GaN multiple quantum well (MQW) green LED at first. The IQE of green LED is limited by the defects and the internal electric field in MQW. Subsequently, we discuss the recent progress in improving the IQE of green LED in detail. These strategies can be divided into two categories. Some of these methods were proposed to enhance crystal quality of InGaN/GaN MQW with high In composition and low density of defects by modifying the growth conditions. Other methods focused on increasing electron-hole wave function overlap by eliminating the polarization effect.

  14. Single-shot single-voxel lactate measurements using FOCI-LASER and a multiple-quantum filter.

    PubMed

    Payne, Geoffrey S; deSouza, Nandita M; Messiou, Christina; Leach, Martin O

    2015-04-01

    Measurement of tissue lactate using (1) H MRS is often confounded by overlap with intense lipid signals at 1.3 ppm. Single-voxel localization using PRESS is also compromised by the large chemical shift displacement between voxels for the 4.1 ppm (-CH) resonance and the 1.3 ppm -CH3 resonance, leading to subvoxels with signals of opposite phase and hence partial signal cancellation. To reduce the chemical shift displacement to negligible proportions, a modified semi-LASER sequence was written ("FOCI-LASER", abbreviated as fLASER) using FOCI pulses to permit high RF bandwidth even with the limited RF amplitude characteristic of clinical MRI scanners. A further modification, MQF-fLASER, includes a selective multiple-quantum filter to detect lactate and reject lipid signals. The sequences were implemented on a Philips 3 T Achieva TX system. In a solution of brain metabolites fLASER lactate signals were 2.7 times those of PRESS. MQF-fLASER lactate was 47% of fLASER (the theoretical maximum is 50%) but still larger than PRESS lactate. In oil, the main 1.3 ppm lipid peak was suppressed to less than 1%. Enhanced suppression was possible using increased gradient durations. The minimum detectable lactate concentration was approximately 0.5 mM. Coherence selection gradients needed to be at the magic angle to avoid large water signals derived from intermolecular multiple-quantum coherences. In pilot patient measurements, lactate peaks were often observed in brain tumours, but not in cervix tumours; lipids were effectively suppressed. In summary, compared with PRESS, the fLASER sequence yields greatly superior sensitivity for direct detection of lactate (and equivalent sensitivity for other metabolites), while the single-voxel single-shot MQF-fLASER sequence surpasses PRESS for lactate detection while eliminating substantial signals from lipids. This sequence will increase the potential for in vivo lactate measurement as a biomarker in targeted anti-cancer treatments as well as

  15. Multiple quantum phase transitions and superconductivity in Ce-based heavy fermions.

    PubMed

    Weng, Z F; Smidman, M; Jiao, L; Lu, Xin; Yuan, H Q

    2016-09-01

    Heavy fermions have served as prototype examples of strongly-correlated electron systems. The occurrence of unconventional superconductivity in close proximity to the electronic instabilities associated with various degrees of freedom points to an intricate relationship between superconductivity and other electronic states, which is unique but also shares some common features with high temperature superconductivity. The magnetic order in heavy fermion compounds can be continuously suppressed by tuning external parameters to a quantum critical point, and the role of quantum criticality in determining the properties of heavy fermion systems is an important unresolved issue. Here we review the recent progress of studies on Ce based heavy fermion superconductors, with an emphasis on the superconductivity emerging on the edge of magnetic and charge instabilities as well as the quantum phase transitions which occur by tuning different parameters, such as pressure, magnetic field and doping. We discuss systems where multiple quantum critical points occur and whether they can be classified in a unified manner, in particular in terms of the evolution of the Fermi surface topology. PMID:27533524

  16. Multiple quantum phase transitions and superconductivity in Ce-based heavy fermions.

    PubMed

    Weng, Z F; Smidman, M; Jiao, L; Lu, Xin; Yuan, H Q

    2016-09-01

    Heavy fermions have served as prototype examples of strongly-correlated electron systems. The occurrence of unconventional superconductivity in close proximity to the electronic instabilities associated with various degrees of freedom points to an intricate relationship between superconductivity and other electronic states, which is unique but also shares some common features with high temperature superconductivity. The magnetic order in heavy fermion compounds can be continuously suppressed by tuning external parameters to a quantum critical point, and the role of quantum criticality in determining the properties of heavy fermion systems is an important unresolved issue. Here we review the recent progress of studies on Ce based heavy fermion superconductors, with an emphasis on the superconductivity emerging on the edge of magnetic and charge instabilities as well as the quantum phase transitions which occur by tuning different parameters, such as pressure, magnetic field and doping. We discuss systems where multiple quantum critical points occur and whether they can be classified in a unified manner, in particular in terms of the evolution of the Fermi surface topology.

  17. Multiple quantum phase transitions and superconductivity in Ce-based heavy fermions

    NASA Astrophysics Data System (ADS)

    Weng, Z. F.; Smidman, M.; Jiao, L.; Lu, Xin; Yuan, H. Q.

    2016-09-01

    Heavy fermions have served as prototype examples of strongly-correlated electron systems. The occurrence of unconventional superconductivity in close proximity to the electronic instabilities associated with various degrees of freedom points to an intricate relationship between superconductivity and other electronic states, which is unique but also shares some common features with high temperature superconductivity. The magnetic order in heavy fermion compounds can be continuously suppressed by tuning external parameters to a quantum critical point, and the role of quantum criticality in determining the properties of heavy fermion systems is an important unresolved issue. Here we review the recent progress of studies on Ce based heavy fermion superconductors, with an emphasis on the superconductivity emerging on the edge of magnetic and charge instabilities as well as the quantum phase transitions which occur by tuning different parameters, such as pressure, magnetic field and doping. We discuss systems where multiple quantum critical points occur and whether they can be classified in a unified manner, in particular in terms of the evolution of the Fermi surface topology.

  18. Enhancement of spectral editing efficacy of multiple quantum filters in in vivo proton magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Kim, Hyeonjin; Thompson, Richard B.; Allen, Peter S.

    2012-10-01

    The performance of multiple quantum filters (MQFs) can be disappointing when the background signal also arises from coupled spins. Moreover, at 3.0 T and even higher fields the majority of the spin systems of key brain metabolites fall into the strong-coupling regime. In this manuscript we address comprehensively, the importance of the phase of the multiple quantum coherence-generating pulse (MQ-pulse) in the design of MQFs, using both product operator and numerical analysis, in both zero and double quantum filter designs. The theoretical analyses were experimentally validated with the examples of myo-inositol editing and the separation of glutamate from glutamine. The results demonstrate that the phase of the MQ-pulse per se provides an additional spectral discrimination mechanism based on the degree of coupling beyond the conventional level-of-coherence approach of MQFs. To obtain the best spectral discrimination of strongly-coupled spin systems, therefore, the phase of the MQ-pulse must be included in the portfolio of the sequence parameters to be optimized.

  19. Polarizabilities of Impurity Doped Quantum Dots Under Pulsed Field: Role of Multiplicative White Noise

    NASA Astrophysics Data System (ADS)

    Saha, Surajit; Ghosh, Manas

    2016-02-01

    We perform a rigorous analysis of the profiles of a few diagonal and off-diagonal components of linear ( α xx , α yy , α xy , and α yx ), first nonlinear ( β xxx , β yyy , β xyy , and β yxx ), and second nonlinear ( γ xxxx , γ yyyy , γ xxyy , and γ yyxx ) polarizabilities of quantum dots exposed to an external pulsed field. Simultaneous presence of multiplicative white noise has also been taken into account. The quantum dot contains a dopant represented by a Gaussian potential. The number of pulse and the dopant location have been found to fabricate the said profiles through their interplay. Moreover, a variation in the noise strength also contributes evidently in designing the profiles of above polarizability components. In general, the off-diagonal components have been found to be somewhat more responsive to a variation of noise strength. However, we have found some exception to the above fact for the off-diagonal β yxx component. The study projects some pathways of achieving stable, enhanced, and often maximized output of linear and nonlinear polarizabilities of doped quantum dots driven by multiplicative noise.

  20. Optimization of carrier multiplication for more effcient solar cells: the case of Sn quantum dots.

    PubMed

    Allan, Guy; Delerue, Christophe

    2011-09-27

    We present calculations of impact ionization rates, carrier multiplication yields, and solar-power conversion efficiencies in solar cells based on quantum dots (QDs) of a semimetal, α-Sn. Using these results and previous ones on PbSe and PbS QDs, we discuss a strategy to select QDs with the highest carrier multiplication rate for more efficient solar cells. We suggest using QDs of materials with a close to zero band gap and a high multiplicity of the bands in order to favor the relaxation of photoexcited carriers by impact ionization. Even in that case, the improvement of the maximum solar-power conversion efficiency appears to be a challenging task.

  1. Demonstration of InGaN-based orange LEDs with hybrid multiple-quantum-wells structure

    NASA Astrophysics Data System (ADS)

    Iida, Daisuke; Niwa, Kazumasa; Kamiyama, Satoshi; Ohkawa, Kazuhiro

    2016-11-01

    We demonstrate the effectiveness of a hybrid multiple-quantum-wells (MQWs) structure in InGaN-based orange light-emitting diodes (LEDs) grown by metalorganic vapor phase epitaxy. The hybrid MQWs-LED is composed of orange InGaN double QWs and a blue-green InGaN single QW. Using the hybrid MQWs structure, the orange LEDs exhibited electroluminescence spectra with narrow full widths at half maximum of 51 nm at 20 mA. The light output power and external quantum efficiency of the InGaN-based orange LEDs were 0.23 mW and 0.6%, respectively, at 20 mA.

  2. Fermionic approach to junctions of multiple quantum wires attached to Tomonaga-Luttinger liquid leads

    NASA Astrophysics Data System (ADS)

    Shi, Zheng; Affleck, Ian

    2016-07-01

    Junctions of multiple one-dimensional quantum wires of interacting electrons have received considerable theoretical attention as a basic constituent of quantum circuits. While results have been obtained on these models using bosonization and density-matrix renormalization-group (DMRG) methods, another powerful technique is based on direct perturbation theory in the bulk interactions combined with the renormalization group. This technique has so far only been applied to the case in which finite-length interacting wires are attached to noninteracting Fermi liquid leads. We extend this method to cover the case of infinite-length interacting leads, obtaining results on two- and three-lead junctions in good agreement with previous bosonization and DMRG results.

  3. Multiple time scale blinking in InAs quantum dot single-photon sources

    NASA Astrophysics Data System (ADS)

    Davanço, Marcelo; Hellberg, C. Stephen; Ates, Serkan; Badolato, Antonio; Srinivasan, Kartik

    2014-04-01

    We use photon correlation measurements to study blinking in single, epitaxially grown self-assembled InAs quantum dots situated in circular Bragg grating and microdisk cavities. The normalized second-order correlation function g(2)(τ) is studied across 11 orders of magnitude in time, and shows signatures of blinking over time scales ranging from tens of nanoseconds to tens of milliseconds. The g(2)(τ) data is fit to a multilevel system rate equation model that includes multiple nonradiating (dark) states, from which radiative quantum yields significantly less than 1 are obtained. This behavior is observed even in situations for which a direct histogramming analysis of the emission time-trace data produces inconclusive results.

  4. Model of fluorescence intermittency of single colloidal semiconductor quantum dots using multiple recombination centers.

    PubMed

    Frantsuzov, Pavel A; Volkán-Kacsó, Sándor; Jankó, Bolizsár

    2009-11-13

    We present a new physical model resolving a long-standing mystery of the power-law distributions of the blinking times in single colloidal quantum dot fluorescence. The model considers the nonradiative relaxation of the exciton through multiple recombination centers. Each center is allowed to switch between two quasistationary states. We point out that the conventional threshold analysis method used to extract the exponents of the distributions for the on times and off times has a serious flaw: the qualitative properties of the distributions strongly depend on the threshold value chosen for separating the on and off states. Our new model explains naturally this threshold dependence, as well as other key experimental features of the single quantum dot fluorescence trajectories, such as the power-law power spectrum (1/f noise).

  5. Tunable Symmetries of Integer and Fractional Quantum Hall Phases in Heterostructures with Multiple Dirac Bands

    NASA Astrophysics Data System (ADS)

    Stepanov, Petr; Barlas, Yafis; Espiritu, Tim; Che, Shi; Watanabe, Kenji; Taniguchi, Takashi; Smirnov, Dmitry; Lau, Chun Ning

    2016-08-01

    The copresence of multiple Dirac bands in few-layer graphene leads to a rich phase diagram in the quantum Hall regime. Using transport measurements, we map the phase diagram of BN-encapsulated A B A -stacked trilayer graphene as a function charge density n , magnetic field B , and interlayer displacement field D , and observe transitions among states with different spin, valley, orbital, and parity polarizations. Such a rich pattern arises from crossings between Landau levels from different subbands, which reflect the evolving symmetries that are tunable in situ. At D =0 , we observe fractional quantum Hall (FQH) states at filling factors 2 /3 and -11 /3 . Unlike those in bilayer graphene, these FQH states are destabilized by a small interlayer potential that hybridizes the different Dirac bands.

  6. Tunable Symmetries of Integer and Fractional Quantum Hall Phases in Heterostructures with Multiple Dirac Bands.

    PubMed

    Stepanov, Petr; Barlas, Yafis; Espiritu, Tim; Che, Shi; Watanabe, Kenji; Taniguchi, Takashi; Smirnov, Dmitry; Lau, Chun Ning

    2016-08-12

    The copresence of multiple Dirac bands in few-layer graphene leads to a rich phase diagram in the quantum Hall regime. Using transport measurements, we map the phase diagram of BN-encapsulated ABA-stacked trilayer graphene as a function charge density n, magnetic field B, and interlayer displacement field D, and observe transitions among states with different spin, valley, orbital, and parity polarizations. Such a rich pattern arises from crossings between Landau levels from different subbands, which reflect the evolving symmetries that are tunable in situ. At D=0, we observe fractional quantum Hall (FQH) states at filling factors 2/3 and -11/3. Unlike those in bilayer graphene, these FQH states are destabilized by a small interlayer potential that hybridizes the different Dirac bands. PMID:27563989

  7. TRIPLE Q: a three channel quantum cascade laser absorption spectrometer for fast multiple species concentration measurements.

    PubMed

    Hübner, M; Welzel, S; Marinov, D; Guaitella, O; Glitsch, S; Rousseau, A; Röpcke, J

    2011-09-01

    A compact and transportable three channel quantum cascade laser system (TRIPLE Q) based on mid-infrared absorption spectroscopy has been developed for time-resolved plasma diagnostics. The TRIPLE Q spectrometer encompasses three independently controlled quantum cascade lasers (QCLs), which can be used for chemical sensing, particularly for gas phase analysis of plasmas. All three QCLs are operated in the intra-pulse mode with typical pulse lengths of the order of 150 ns. Using a multiplexed detection, a time resolution shorter than 1 μs can be achieved. Hence, the spectrometer is well suited to study kinetic processes of multiple infrared active compounds in reactive plasmas. A special data processing and analysis technique has been established to account for time jitter effects of the infrared emission of the QCLs. The performance of the TRIPLE Q system has been validated in pulsed direct current plasmas containing N(2)O/air and NO(2)/air.

  8. Cell adhesion promoting peptide GVKGDKGNPGWPGAP from the collagen type IV triple helix: Cis/trans proline-induced multiple sup 1 H NMR conformations and evidence for a KG/PG multiple turn repeat motif in the all-trans proline state

    SciTech Connect

    Mayo, K.H.; Parra-Diaz, D. ); McCarthy, J.B.; Chelberg, M. )

    1991-08-20

    Peptide GVKGDKGNPGWPGAPY (called peptide IV-H1), derived from the protein sequence of human collagen type IV, triple-helix domain residues 1263-1277, represents an RGD-independent, cell-specific, adhesion, spreading, and motility promoting domain in type IV collagen. In this study, peptide IV-H1 has been investigated by {sup 1}H NMR (500 MHz) spectroscopy. Cis-trans proline isomerization at each of the three proline residues gives rise to a number of slowly exchanging (500-MHz NMR time scale) conformation states. The presence of more than two sets of resonances for residues sequentially proximal to a proline, e.g., A14-cis-P15 K3, indicates long range conformation interactions and the presence of preferred structure in this short linear peptide. Many resonances belonging to these multiple species have been assigned by using mono-proline-substituted analogues. Conformational (isomer) state-specific 2D {sup 1}H NMR assignments for the combination of cis and trans proline states have been made via analysis of COSY-type, HOHAHA, and NOESY spectra. The NMR data indicate significant {beta}-turn populations centered at K3-G4, K5-G6, P9-G10, and P12-G13, and a C-terminal {gamma}-turn within the A14-P15-Y16 sequence. These NMR data are supported by circular dichroic studies which indicate the presence of 52% {beta}-turn, 10% helix, and 38% random coil structural populations. Since equally spaced KG and PG residues are found on both sides of peptide IV-H1 in the native collagen type IV sequence, this multiple turn repeat motif may continue through a longer segment of the protein.

  9. Scale-estimation of quantum coherent energy transport in multiple-minima systems

    PubMed Central

    Farrow, Tristan; Vedral, Vlatko

    2014-01-01

    A generic and intuitive model for coherent energy transport in multiple minima systems coupled to a quantum mechanical bath is shown. Using a simple spin-boson system, we illustrate how a generic donor-acceptor system can be brought into resonance using a narrow band of vibrational modes, such that the transfer efficiency of an electron-hole pair (exciton) is made arbitrarily high. Coherent transport phenomena in nature are of renewed interest since the discovery that a photon captured by the light-harvesting complex (LHC) in photosynthetic organisms can be conveyed to a chemical reaction centre with near-perfect efficiency. Classical explanations of the transfer use stochastic diffusion to model the hopping motion of a photo-excited exciton. This accounts inadequately for the speed and efficiency of the energy transfer measured in a series of recent landmark experiments. Taking a quantum mechanical perspective can help capture the salient features of the efficient part of that transfer. To show the versatility of the model, we extend it to a multiple minima system comprising seven-sites, reminiscent of the widely studied Fenna-Matthews-Olson (FMO) light-harvesting complex. We show that an idealised transport model for multiple minima coupled to a narrow-band phonon can transport energy with arbitrarily high efficiency. PMID:24980547

  10. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO-LUMO analysis of 2-quinoxaline carboxylic acid

    NASA Astrophysics Data System (ADS)

    Prabavathi, N.; Nilufer, A.; Krishnakumar, V.

    The FTIR and FT-Raman spectra of 2-quinoxaline carboxylic acid (2-QCA) has been recorded in the region 4000-450 and 4000-100 cm-1, respectively. The conformational analysis, optimized geometry, frequency and intensity of the vibrational bands of 2-QCA were obtained by the density functional theory (DFT) with complete relaxation in the potential energy surface using 6-31G(d) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. The 1H and13C NMR spectra have been recorded and 1H and 13C nuclear magnetic resonance chemical shifts of the molecule were also calculated using the gauge independent atomic orbital (GIAO) method and their respective linear correlations were obtained. The theoretical UV-visible spectrum of the compound using CIS method and the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. The calculated HOMO and LUMO energies show that charge transfer occurs within molecule. The Mulliken charges, the values of electric dipole moment (μ) of the molecule were computed using DFT calculations. The change in electron density (ED) in the σ* antibonding orbitals and stabilization energies E(2) have been calculated by natural bond (NBO) analysis to give clear evidence of stabilization originating in the hyper conjugation of hydrogen-bonded interactions.

  11. Experimental and quantum chemical study on the IR, UV and electrode potential of 6-(2,3-dihydro-1,3-dioxo-2-phenyl-1 H-inden-2-yl)-2,3-dihydroxybenzaldehyde

    NASA Astrophysics Data System (ADS)

    Riahi, Siavash; Ganjali, Mohammad Reza; Bayandori Moghaddam, Abdolmajid; Norouzi, Parviz

    2008-12-01

    Electrode potential of 6-(2,3-dihydro-1,3-dioxo-2-phenyl-1 H-inden-2-yl)-2,3-dihydroxybenzaldehyde (DPDB) in methanol have been calculated theoretically. For the achievement of this task, the density functional theory (B3LYP/6-31G(d)) was employed with the inclusion of the entropic and thermochemical corrections to yield the free energies of the redox reactions. The electrode potential was also obtained experimentally by means of an electrochemical technique (cyclic voltammetry). The geometric parameters, the vibrational frequency values and the UV spectrum of DPDB and 2-(2,3-dihydro-1,3-dioxo-2-phenyl-1 H-inden-2-yl)-5,6-dioxocyclohexa-1,3-dienecarbaldehyde (DPDD is the oxidized form of DPDB), were computed using the same methods. The calculated IR spectrum of DPDB, used for the assignment of the IR frequencies, was observed in the experimental FT-IR spectrum. The correlation between the theoretical and experimental DPDB vibrational frequencies was 0.996. This agreement mutually verified the accuracy of the experimental method and the validity of the applied mathematical model.

  12. Approaches to Future Generation Photovoltaics and Solar Fuels: Multiple Exciton Generation in Quantum Dots, Quantum Dot Arrays, Molecular Singlet Fission, and Quantum Dot Solar Cells

    SciTech Connect

    Nozik, A. J.; Beard, M. C.; Johnson, J. C.; Hanna, M. C.; Luther, J. M.; Midgett, A.; Semonin, O.; Michel, J.

    2012-01-01

    One potential, long-term approach to more efficient future generation solar cells is to utilize the unique properties of quantum dots (QDs) and unique molecular chromophores to control the relaxation pathways of excited states to produce enhanced conversion efficiency through efficient multiple electron-hole pair generation from single photons . We have observed efficient multiple exciton generation (MEG) in PbSe, PbS, PbTe, and Si QDs and efficient singlet fission (SF) in molecules that satisfy specific requirements for their excited state energy level structure to achieve carrier multiplication. We have studied MEG in close-packed QD arrays where the QDs are electronically coupled in the films and thus exhibit good transport while still maintaining quantization and MEG. We have developed simple, all-inorganic QD solar cells that produce large short-circuit photocurrents and power conversion efficiencies in the 3-5% range via both nanocrystalline Schottky junctions and nanocrystalline p-n junctions. These solar cells also show QYs for photocurrent that exceed 100% in the photon energy regions where MEG is possible; the photocurrent MEG QYs as a function of photon energy match those determined via time-resolved spectroscopy. We have also observed very efficient SF in thin films of molecular crystals of 1,3 diphenylisobenzofuran with quantum yields of 200% at the optimum SF threshold of 2Eg (HOMO-LUMO for S{sub 0}-S{sub 1}), reflecting the creation of two excited triplet states from the first excited singlet state. Various possible configurations for novel solar cells based on MEG in QDs and SF in molecules that could produce high conversion efficiencies will be presented, along with progress in developing such new types of solar cells. Recent analyses of the effect of MEG or SF combined with solar concentration on the conversion efficiency of solar cells will be discussed.

  13. Simulation of the off-resonance effect in one-dimensional heteronuclear multiple quantum coherence spectroscopy

    NASA Astrophysics Data System (ADS)

    Du, Fei; Zhou, Zhifa; Miao, Xijia; Mao, Xi-an

    2000-03-01

    When a heteronuclear multiple quantum coherence (HMQC) NMR experiment is performed in one-dimensional mode, due to the wide range in chemical shift of the indirectly detected spin and the limited strength of the radio-frequency field, the off-resonance effect on the intensity of the observed signal can be serious. In this paper, the effect is studied using the spin-density-matrix formalism and simulations of the experimental results are presented. The bilinear rotation-decoupling sequence (BIRD), which is usually used in HMQC experiments, is also discussed. It is shown that the BIRD sequence has a negative effect by virtue of narrowing the excitation band.

  14. Polariton Resonances for Ultrastrong Coupling Cavity Optomechanics in GaAs/AlAs Multiple Quantum Wells.

    PubMed

    Jusserand, B; Poddubny, A N; Poshakinskiy, A V; Fainstein, A; Lemaitre, A

    2015-12-31

    Polariton-mediated light-sound interaction is investigated through resonant Brillouin scattering experiments in GaAs/AlAs multiple-quantum wells. Photoelastic coupling enhancement at exciton-polariton resonance reaches 10(5) at 30 K as compared to a typical bulk solid room temperature transparency value. When applied to GaAs based cavity optomechanical nanodevices, this result opens the path to huge displacement sensitivities and to ultrastrong coupling regimes in cavity optomechanics with couplings g(0) in the range of 100 GHz. PMID:26765028

  15. Secondary emission and acoustic-phonon scattering induced by strong magnetic fields in multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Sapega, V. F.; Belitsky, V. I.; Ruf, T.; Fuchs, H. D.; Cardona, M.; Ploog, K.

    1992-12-01

    A strong increase of low-frequency Raman scattering has been observed in GaAs/AlxGa1-xAs multiple quantum wells in magnetic fields up to 14 T. The spectra, consisting of background scattering, folded acoustic phonons, and additional features, show resonant behavior with respect to the laser frequency and the strength of the magnetic field. The broad background, usually related to geminate recombination, has its origin in a continuum of Raman processes with the emission of longitudinal-acoustic phonons where crystal momentum is not conserved. Such processes can become dominant when interface fluctuations allow for resonant scattering in individual quantum wells only. Thus phonons with all possible energies contribute to the background scattering efficiency. The observed folded longitudinal-acoustic phonons are in good agreement with calculated frequencies. Additional features, detected in all samples measured, are attributed to local vibrational modes tied to the gaps at the folded Brillouin-zone center and edge. Other peculiarities observed correspond to modes localized at crossings of the folded longitudinal- and transverse-acoustic branches inside the Brillouin zone. The appearance of these local modes is attributed to fluctuations in the well and barrier thicknesses of the quantum wells.

  16. Quantum confinement in semiconductor nanofilms: Optical spectra and multiple exciton generation

    NASA Astrophysics Data System (ADS)

    Khmelinskii, Igor; Makarov, Vladimir I.

    2016-04-01

    We report optical absorption and photoluminescence (PL) spectra of Si and SnO2 nanocrystalline films in the UV-vis-NIR range, featuring discrete bands resulting from transverse quantum confinement, observed in the optical spectra of nanofilms for the first time ever. The film thickness ranged from 3.9 to 12.2 nm, depending on the material. The results are interpreted within the particle-in-a-box model, with infinite walls. The calculated values of the effective electron mass are independent on the film thickness and equal to 0.17mo (Si) and 0.21mo (SnO2), with mo the mass of the free electron. The second calculated model parameter, the quantum number n of the HOMO (valence band), was also thickness-independent: 8.00 (Si) and 7.00 (SnO2). The transitions observed in absorption all start at the level n and correspond to Δn = 1, 2, 3, …. The photoluminescence bands exhibit large Stokes shifts, shifting to higher energies with increased excitation energy. In effect, nanolayers of Si, an indirect-gap semiconductor, behave as a direct-gap semiconductor, as regards the transverse-quantized level system. A prototype Si-SnO2 nanofilm photovoltaic cell demonstrated photoelectron quantum yields achieving 2.5, showing clear evidence of multiple exciton generation, for the first time ever in a working nanofilm device.

  17. Gain properties of doped GaAs/AlGaAs multiple quantum well avalanche photodiode structures

    NASA Technical Reports Server (NTRS)

    Menkara, H. M.; Wagner, B. K.; Summers, C. J.

    1995-01-01

    A comprehensive characterization has been made of the static and dynamical response of conventional and multiple quantum well (MQW) avalanche photodiodes (APDs). Comparison of the gain characteristics at low voltages between the MQW and conventional APDs show a direct experimental confirmation of a structure-induced carrier multiplication due to interband impact ionization. Similar studies of the bias dependence of the excess noise characteristics show that the low-voltage gain is primarily due to electron ionization in the MQW-APDS, and to both electron and hole ionization in the conventional APDS. For the doped MQW APDS, the average gain per stage was calculated by comparing gain data with carrier profile measurements, and was found to vary from 1.03 at low bias to 1.09 near avalanche breakdown.

  18. Spectral analysis, structural elucidation and evaluation of chemical reactivity of synthesized ethyl-4-[(2-cyano-acetyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate through experimental studies and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Rawat, P.; Singh, R. N.

    2014-09-01

    This paper describes the synthesis, spectral analysis, structural elucidation and chemical reactivity of pyrrole hydrazide-hydrazone: ethyl-4-[(2-cyano-acetyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (ECAHDPC). The 1H, 13C NMR isotropic chemical shifts and electronic absorption spectra have been calculated by GIAO and TD-DFT methods, respectively, and corroborate well with experimental data. The NH proton of the hydrazide-hydrazones (lbond2 Cdbnd NNHCO) frame appears as singlet at δ = 11.69 ppm due to delocalization of nitrogen lone pair with carbonyl group and its proton involvement in intramolecular H-bonding. The calculated wavenumbers of dimer are in good agreement with the experimental results and confirm that the stable conformer forms dimer by hydrogen bonding interactions between pyrrolic NH and carbonyl Cdbnd O group of ester giving red shift and resonance assisted hydrogen bonding. The binding energy of intermolecular interaction is found to be 10.19 kcal/mol after basis set superposition error correction. QTAIM calculations confirm the existence of intermolecular conventional hydrogen bond (Nsbnd H⋯O), intra and intermolecular non-conventional hydrogen bond (Csbnd H⋯O) and intramolecular interaction (C⋯N). The NBO analysis has been performed to evaluate charge transfer and delocalization of electron density. The static first hyperpolarizability (β0) of monomer has been found to be 6.59 × 10-30 esu. The maximum value of reactivity descriptors (fk+, sk+, ωk+) at C(9) indicate that this site is more susceptible to nucleophilic attack, favoring for the formation of heterocyclic compounds.

  19. Addressable single-spin control in multiple quantum dots coupled in series

    NASA Astrophysics Data System (ADS)

    Nakajima, Takashi

    2015-03-01

    Electron spin in semiconductor quantum dots (QDs) is promising building block of quantum computers for its controllability and potential scalability. Recent experiments on GaAs QDs have demonstrated necessary ingredients of universal quantum gate operations: single-spin rotations by electron spin resonance (ESR) which is virtually free from the effect of nuclear spin fluctuation, and pulsed control of two-spin entanglement. The scalability of this architecture, however, has remained to be demonstrated in the real world. In this talk, we will present our recent results on implementing single-spin-based qubits in triple, quadruple, and quintuple QDs based on a series coupled architecture defined by gate electrodes. Deterministic initialization of individual spin states and spin-state readout were performed by the pulse operation of detuning between two neighboring QDs. The spin state was coherently manipulated by ESR, where each spin in different QDs is addressed by the shift of the resonance frequency due to the inhomogeneous magnetic field induced by the micro magnet deposited on top of the QDs. Control of two-spin entanglement was also demonstrated. We will discuss key issues for implementing quantum algorithms based on three or more qubits, including the effect of a nuclear spin bath, single-shot readout fidelity, and tuning of multiple qubit devices. Our approaches to these issues will be also presented. This research is supported by Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST) from JSPS, IARPA project ``Multi-Qubit Coherent Operations'' through Copenhagen University, and Grant-in-Aid for Scientific Research from JSPS.

  20. Upper bounds on the error probabilities and asymptotic error exponents in quantum multiple state discrimination

    SciTech Connect

    Audenaert, Koenraad M. R.; Mosonyi, Milán

    2014-10-01

    We consider the multiple hypothesis testing problem for symmetric quantum state discrimination between r given states σ₁, …, σ{sub r}. By splitting up the overall test into multiple binary tests in various ways we obtain a number of upper bounds on the optimal error probability in terms of the binary error probabilities. These upper bounds allow us to deduce various bounds on the asymptotic error rate, for which it has been hypothesized that it is given by the multi-hypothesis quantum Chernoff bound (or Chernoff divergence) C(σ₁, …, σ{sub r}), as recently introduced by Nussbaum and Szkoła in analogy with Salikhov's classical multi-hypothesis Chernoff bound. This quantity is defined as the minimum of the pairwise binary Chernoff divergences min{sub jquantum Chernoff bound is always achieved.

  1. Investigation of Photoluminescence and Photocurrent in InGaAsP/InP Strained Multiple Quantum Well Heterostructures

    NASA Technical Reports Server (NTRS)

    Raisky, O. Y.; Wang, W. B.; Alfano, R. R.; Reynolds, C. L., Jr.; Swaminathan, V.

    1997-01-01

    Multiple quantum well InGaAsP/InP p-i-n laser heterostructures with different barrier thicknesses have been investigated using photoluminescence (PL) and photocurrent (PC) measurements. The observed PL spectrum and peak positions are in good agreement with those obtained from transfer matrix calculations. Comparing the measured quantum well PC with calculated carrier escape rates, the photocurrent changes are found to be governed by the temperature dependence of the electron escape time.

  2. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Anitha, R.; Devi, L.; Mohan, S.; Yang, Haifeng

    2015-01-01

    Aromatic epoxides are causative factors for mutagenic and carcinogenic activity of polycyclic arenes. The 1,2- or 2,3-epoxy compounds are widely used to a considerable extent in the textile, plastics, pharmaceutical, cosmetics, detergent and photochemical industries. The FTIR and FT-Raman spectra of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane are recorded in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The observed fundamentals are assigned to different normal modes of vibration. The structure of the compound has been optimised with B3LYP method using 6-311++G** and cc-pVTZ basis sets. The IR and Raman intensities are determined. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron + nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of the compounds has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR chemical shifts of the molecules have been analysed.

  3. Direct and solvent-assisted keto-enol tautomerism and hydrogen-bonding interactions in 4-(m-chlorobenzylamino)-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one: a quantum-chemical study.

    PubMed

    Arslan, N Burcu; Özdemir, Namık

    2015-01-01

    The tautomeric equilibrium of the title triazole compound was computationally analyzed at the B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of theory. The solvent effect was considered for three solvents (chloroform, methanol, and water). Two distinct mechanisms were applied: a direct intramolecular transfer using the polarizable continuum model (PCM) and a solvent-assisted mechanism. The calculations indicated that the keto form is more stable in all cases. It was found that the barrier heights for the tautomerization reaction are very high, indicating a relatively disfavored process. Although the barrier heights for solvent-assisted reactions are significantly lower than those for the unassisted tautomerization reaction, implying the importance of the superior catalytic effect of the solvents, monosolvation was not found to be sufficient for the reaction to occur. Finally, the two intermolecular hydrogen-bonding interactions in the crystal structure were investigated in the gas phase; according to the calculated energies and structural parameters, the order of stability is N3-H3···O1 > N1-H1···O1. PMID:25617212

  4. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, (1)H, (13)C NMR) investigations of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane.

    PubMed

    Arjunan, V; Anitha, R; Devi, L; Mohan, S; Yang, Haifeng

    2015-01-25

    Aromatic epoxides are causative factors for mutagenic and carcinogenic activity of polycyclic arenes. The 1,2- or 2,3-epoxy compounds are widely used to a considerable extent in the textile, plastics, pharmaceutical, cosmetics, detergent and photochemical industries. The FTIR and FT-Raman spectra of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane are recorded in the regions 4000-400 cm(-1) and 4000-100 cm(-1), respectively. The observed fundamentals are assigned to different normal modes of vibration. The structure of the compound has been optimised with B3LYP method using 6-311++G(**) and cc-pVTZ basis sets. The IR and Raman intensities are determined. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron+nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of the compounds has been performed to indicate the presence of intramolecular charge transfer. The (1)H and (13)C NMR chemical shifts of the molecules have been analysed.

  5. Direct and solvent-assisted keto-enol tautomerism and hydrogen-bonding interactions in 4-(m-chlorobenzylamino)-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one: a quantum-chemical study.

    PubMed

    Arslan, N Burcu; Özdemir, Namık

    2015-01-01

    The tautomeric equilibrium of the title triazole compound was computationally analyzed at the B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of theory. The solvent effect was considered for three solvents (chloroform, methanol, and water). Two distinct mechanisms were applied: a direct intramolecular transfer using the polarizable continuum model (PCM) and a solvent-assisted mechanism. The calculations indicated that the keto form is more stable in all cases. It was found that the barrier heights for the tautomerization reaction are very high, indicating a relatively disfavored process. Although the barrier heights for solvent-assisted reactions are significantly lower than those for the unassisted tautomerization reaction, implying the importance of the superior catalytic effect of the solvents, monosolvation was not found to be sufficient for the reaction to occur. Finally, the two intermolecular hydrogen-bonding interactions in the crystal structure were investigated in the gas phase; according to the calculated energies and structural parameters, the order of stability is N3-H3···O1 > N1-H1···O1.

  6. Multiple functional UV devices based on III-Nitride quantum wells for biological warfare agent detection

    NASA Astrophysics Data System (ADS)

    Wang, Qin; Savage, Susan; Persson, Sirpa; Noharet, Bertrand; Junique, Stéphane; Andersson, Jan Y.; Liuolia, Vytautas; Marcinkevicius, Saulius

    2009-02-01

    We have demonstrated surface normal detecting/filtering/emitting multiple functional ultraviolet (UV) optoelectronic devices based on InGaN/GaN, InGaN/AlGaN and AlxGa1-xN/AlyGa1-yN multiple quantum well (MQW) structures with operation wavelengths ranging from 270 nm to 450 nm. Utilizing MQW structure as device active layer offers a flexibility to tune its long cut-off wavelength in a wide UV range from solar-blind to visible by adjusting the well width, well composition and barrier height. Similarly, its short cut-off wavelength can be adjusted by using a GaN or AlGaN block layer on a sapphire substrate when the device is illuminated from its backside, which further provides an optical filtering effect. When a current injects into the device under forward bias the device acts as an UV light emitter, whereas the device performs as a typical photodetector under reverse biases. With applying an alternating external bias the device might be used as electroabsorption modulator due to quantum confined Stark effect. In present work fabricated devices have been characterized by transmission/absorption spectra, photoresponsivity, electroluminescence, and photoluminescence measurements under various forward and reverse biases. The piezoelectric effect, alloy broadening and Stokes shift between the emission and absorption spectra in different InGaN- and AlGaN-based QW structures have been investigated and compared. Possibilities of monolithic or hybrid integration using such multiple functional devices for biological warfare agents sensing application have also be discussed.

  7. Optically induced excitonic electroabsorption in a periodically delta-doped InGaAs/GaAs multiple quantum well structure

    NASA Technical Reports Server (NTRS)

    Larsson, A.; Maserjian, J.

    1991-01-01

    Large optically induced Stark shifts have been observed in a periodically delta-doped InGaAs/GaAs multiple quantum well structure. With an excitation intensity of 10 mW/sq cm, an absolute quantum well absorption change of 7000/cm was measured with a corresponding differential absorption change as high as 80 percent. The associated maximum change in the quantum well refractive index is 0.04. This material is promising for device development for all-optical computing and signal processing.

  8. The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

    SciTech Connect

    Chen, Xin

    2014-04-21

    Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems.

  9. Carrier Multiplication in Quantum Dots within the Framework of Two Competing Energy Relaxation Mechanisms.

    PubMed

    Stewart, John T; Padilha, Lazaro A; Bae, Wan Ki; Koh, Weon-Kyu; Pietryga, Jeffrey M; Klimov, Victor I

    2013-06-20

    The realization of high-yield, low-threshold carrier multiplication (CM) in semiconductor quantum dots (QDs) is a promising step toward third-generation photovoltaics (PV). Recent studies of QD solar cells have shown that CM can indeed produce greater-than-unity quantum efficiencies in photon-to-charge-carrier conversion, establishing the relevance of this process to practical PV technologies. While being appreciable, the reported CM yields are still not high enough for a significant increase in the power conversion efficiency over traditional bulk materials. At present, the design of nanomaterials with improved CM is hindered by a poor understanding of the mechanism underlying this process. Here, we present a possible solution to this problem by introducing a model that treats CM as a competition between impact-ionization-like scattering and non-CM energy losses. Importantly, it allows for evaluation of expected CM yields from fairly straightforward measurements of Auger recombination (inverse of CM) and near-band-edge carrier cooling. The validation of this model via a comparative CM study of PbTe, PbSe, and PbS QDs suggests that it indeed represents a predictive capability, which might help in the development of nanomaterials with improved CM performance.

  10. Anomalous independence of multiple exciton generation on different group IV-VI quantum dot architectures.

    PubMed

    Trinh, M Tuan; Polak, Leo; Schins, Juleon M; Houtepen, Arjan J; Vaxenburg, Roman; Maikov, Georgy I; Grinbom, Gal; Midgett, Aaron G; Luther, Joseph M; Beard, Matthew C; Nozik, Arthur J; Bonn, Mischa; Lifshitz, Efrat; Siebbeles, Laurens D A

    2011-04-13

    Multiple exciton generation (MEG) in PbSe quantum dots (QDs), PbSe(x)S(1-x) alloy QDs, PbSe/PbS core/shell QDs, and PbSe/PbSe(y)S(1-y) core/alloy-shell QDs was studied with time-resolved optical pump and probe spectroscopy. The optical absorption exhibits a red-shift upon the introduction of a shell around a PbSe core, which increases with the thickness of the shell. According to electronic structure calculations this can be attributed to charge delocalization into the shell. Remarkably, the measured quantum yield of MEG, the hot exciton cooling rate, and the Auger recombination rate of biexcitons are similar for pure PbSe QDs and core/shell QDs with the same core size and varying shell thickness. The higher density of states in the alloy and core/shell QDs provide a faster exciton cooling channel that likely competes with the fast MEG process due to a higher biexciton density of states. Calculations reveal only a minor asymmetric delocalization of holes and electrons over the entire core/shell volume, which may partially explain why the Auger recombination rate does not depend on the presence of a shell. PMID:21348493

  11. Enhanced carrier multiplication in engineered quasi-type-II quantum dots.

    PubMed

    Cirloganu, Claudiu M; Padilha, Lazaro A; Lin, Qianglu; Makarov, Nikolay S; Velizhanin, Kirill A; Luo, Hongmei; Robel, Istvan; Pietryga, Jeffrey M; Klimov, Victor I

    2014-01-01

    One process limiting the performance of solar cells is rapid cooling (thermalization) of hot carriers generated by higher-energy solar photons. In principle, the thermalization losses can be reduced by converting the kinetic energy of energetic carriers into additional electron-hole pairs via carrier multiplication (CM). While being inefficient in bulk semiconductors this process is enhanced in quantum dots, although not sufficiently high to considerably boost the power output of practical devices. Here we demonstrate that thick-shell PbSe/CdSe nanostructures can show almost a fourfold increase in the CM yield over conventional PbSe quantum dots, accompanied by a considerable reduction of the CM threshold. These structures enhance a valence-band CM channel due to effective capture of energetic holes into long-lived shell-localized states. The attainment of the regime of slowed cooling responsible for CM enhancement is indicated by the development of shell-related emission in the visible observed simultaneously with infrared emission from the core. PMID:24938462

  12. Enhanced carrier multiplication in engineered quasi-type-II quantum dots

    PubMed Central

    Cirloganu, Claudiu M.; Padilha, Lazaro A.; Lin, Qianglu; Makarov, Nikolay S.; Velizhanin, Kirill A.; Luo, Hongmei; Robel, Istvan; Pietryga, Jeffrey M.; Klimov, Victor I.

    2014-01-01

    One process limiting the performance of solar cells is rapid cooling (thermalization) of hot carriers generated by higher-energy solar photons. In principle, the thermalization losses can be reduced by converting the kinetic energy of energetic carriers into additional electron-hole pairs via carrier multiplication (CM). While being inefficient in bulk semiconductors this process is enhanced in quantum dots, although not sufficiently high to considerably boost the power output of practical devices. Here we demonstrate that thick-shell PbSe/CdSe nanostructures can show almost a fourfold increase in the CM yield over conventional PbSe quantum dots, accompanied by a considerable reduction of the CM threshold. These structures enhance a valence-band CM channel due to effective capture of energetic holes into long-lived shell-localized states. The attainment of the regime of slowed cooling responsible for CM enhancement is indicated by the development of shell-related emission in the visible observed simultaneously with infrared emission from the core. PMID:24938462

  13. Excitonic field screening and bleaching in InGaN/GaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Chen, Fei; Kirkey, W. D.; Furis, M.; Cheung, M. C.; Cartwright, A. N.

    2003-03-01

    Photoinduced carrier dynamics in a sequence of InGaN/GaN multiple quantum wells (MQWs) are studied by employing steady state and ultrafast spectroscopy at room temperature. Time-resolved photoluminescence (PL) measured short carrier lifetimes of ˜140 ps at room temperature. Steady state differential transmission was used to measure the in-well field screening due to the photoinjected carriers. The observed offset in emission energy from excitonic screening energies is consistent with the emission of carriers through localized states slightly below the excitonic resonance energy. Furthermore, time-resolved differential transmission with amplified pulses, where significant carrier densities can be optically generated, provides evidence of both excitonic bleaching and field screening in these InGaN quantum wells (QWs). The comparison of the time-resolved differential absorption spectra at various carrier densities allows us to identify different carrier recombination dynamics in the InGaN well and to separate the field screening from the bleaching effects. Finally, the extreme prolongation of the carrier recombination lifetime up to ˜4 μs suggests the spatial separation between electrons and holes under the large in-well fields.

  14. Development and use of a quantum dot probe to track multiple yeast strains in mixed culture

    PubMed Central

    Gustafsson, Frida S.; Whiteside, Matthew D.; Jiranek, Vladimir; Durall, Daniel M.

    2014-01-01

    Saccharomyces cerevisiae strains vary in their ability to develop and enhance sensory attributes of alcoholic beverages and are often found growing in mixed strain fermentations; however, quantifying individual strains is challenging due to quantification inaccuracies, low marker longevity, and compromised kinetics. We developed a fluorescent probe, consisting of glutathione molecules conjugated to a quantum dot (QD). Two S. cerevisiae strains were incubated with different coloured probes (QD attached to glutathione molecules, QD-GSH), fermented at multiple ratios, and quantified using confocal microscopy. The QD method was compared with a culture method using microsatellite DNA analysis (MS method). Probes were taken up by an ADP1 encoded transporter, transferred from mother cell to daughter cell, detectable in strains throughout fermentation, and were non-toxic. This resulted in a new quantification method that was more accurate and efficient than the MS method. PMID:25382600

  15. Bound states for multiple Dirac-δ wells in space-fractional quantum mechanics

    SciTech Connect

    Tare, Jeffrey D. Esguerra, Jose Perico H.

    2014-01-15

    Using the momentum-space approach, we obtain bound states for multiple Dirac-δ wells in the framework of space-fractional quantum mechanics. Introducing first an attractive Dirac-comb potential, i.e., Dirac comb with strength −g (g > 0), in the space-fractional Schrödinger equation we show that the problem of obtaining eigenenergies of a system with N Dirac-δ wells can be reduced to a problem of obtaining the eigenvalues of an N × N matrix. As an illustration we use the present matrix formulation to derive expressions satisfied by the bound-state energies of N = 1, 2, 3 delta wells. We also obtain the corresponding wave functions and express them in terms of Fox's H-function.

  16. Phase separation in InGaN/GaN multiple quantum wells

    SciTech Connect

    McCluskey, M.D.; Romano, L.T.; Krusor, B.S.; Bour, D.P.; Johnson, N.M.; Brennan, S.

    1998-04-01

    Evidence is presented for phase separation in In{sub 0.27}Ga{sub 0.73}N/GaN multiple quantum wells. After annealing for 40 h at a temperature of 950{degree}C, the absorption threshold at 2.95 eV is replaced by a broad peak at 2.65 eV. This peak is attributed to the formation of In-rich InGaN phases in the active region. X-ray diffraction measurements show a shift in the diffraction peaks toward GaN, consistent with the formation of an In-poor phase. A diffraction peak corresponding to an In-rich phase is also present in the annealed material. Nanoscale In-rich InGaN precipitates are observed by transmission electron microscopy and energy dispersive x-ray chemical analysis. {copyright} {ital 1998 American Institute of Physics.}

  17. Effects of dead zones in multiple-quantum-well binary-phase modulators on optical interconnections.

    PubMed

    Inbar, H; Taghizadeh, M R

    1998-02-10

    We investigate the effects of inactive regions [dead zones (DZ's)] in multiple-quantum-well binary-phase modulators used for free-space dynamic optical interconnection applications. Results, however, have implications for other types of pixelated spatial light modulators (SLM's). To our knowledge, the effects of DZ's in SLM's have not before been thoroughly studied in a context other than optical correlation. We investigate the DZ's (considered to be either opaque or transmissive) as a feature that may be exploited in system design, calculating light efficiency and fidelity as a function of DZ fractional width. It is shown that in particular cases an appropriate choice of DZ width would lead to an optical interconnection with substantially improved cross-talk performance.

  18. Germanium-tin multiple quantum well on silicon avalanche photodiode for photodetection at two micron wavelength

    NASA Astrophysics Data System (ADS)

    Dong, Yuan; Wang, Wei; Lee, Shuh Ying; Lei, Dian; Gong, Xiao; Khai Loke, Wan; Yoon, Soon-Fatt; Liang, Gengchiau; Yeo, Yee-Chia

    2016-09-01

    We report the demonstration of a germanium-tin multiple quantum well (Ge0.9Sn0.1 MQW)-on-Si avalanche photodiode (APD) for light detection near the 2 μm wavelength range. The measured spectral response covers wavelengths from 1510 to 2003 nm. An optical responsivity of 0.33 A W-1 is achieved at 2003 nm due to the internal avalanche gain. In addition, a thermal coefficient of breakdown voltage is extracted to be 0.053% K-1 based on the temperature-dependent dark current measurement. As compared to the traditional 2 μm wavelength APDs, the Si-based APD is promising for its small excess noise factor, less stringent demand on temperature stability, and its compatibility with silicon technology.

  19. Enhancement of coherent acoustic phonons in InGaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Hafiz, Shopan D.; Zhang, Fan; Monavarian, Morteza; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

    2015-03-01

    Enhancement of coherent zone folded longitudinal acoustic phonon (ZFLAP) oscillations at terahertz frequencies was demonstrated in InGaN multiple quantum wells (MQWs) by using wavelength degenerate time resolved differential transmission spectroscopy. Screening of the piezoelectric field in InGaN MQWs by photogenerated carriers upon femtosecond pulse excitation gave rise to terahertz ZFLAPs, which were monitored at the Brillouin zone center in the transmission geometry. MQWs composed of 10 pairs InxGa1-xN wells and In0.03Ga0.97N barriers provided coherent phonon frequencies of 0.69-0.80 THz depending on the period of MQWs. Dependences of ZFLAP amplitude on excitation density and wavelength were also investigated. Possibility of achieving phonon cavity, incorporating a MQW placed between two AlN/GaN phonon mirrors designed to exhibit large acoustic gaps at the zone center, was also explored.

  20. Order dependence of the profile of the intensities of multiple-quantum coherences

    SciTech Connect

    Lundin, A. A.; Zobov, V. E.

    2015-05-15

    A modification of the widespread phenomenological model theory of multiple-quantum (MQ) nuclear magnetic resonance spectra of a single cluster of correlated spins has been developed. In contrast to the mentioned theory, the size distribution of such clusters has been consistently taken into account. To obtain the distribution, solutions for the amplitudes of the expansion in the complete set of orthogonal operators are used. Expressions specifying the dependence of the profile of the intensities of MQ coherences on their number n (order) have been obtained. The total form of the dependence has been evaluated by means of the numerical implementation of the resulting expressions. The asymptotic expressions for large n values (wings of the spectrum) have been obtained analytically by the saddle-point method. It has been shown that the dependence under study has a Gaussian central part and exponential wings. The results obtained are in agreement with the previous calculations for some model systems and existing experimental data.

  1. Exciton effects in the index of refraction of multiple quantum wells and superlattices

    NASA Technical Reports Server (NTRS)

    Kahen, K. B.; Leburton, J. P.

    1986-01-01

    Theoretical calculations of the index of refraction of multiple quantum wells and superlattices are presented. The model incorporates both the bound and continuum exciton contributions for the gamma region transitions. In addition, the electronic band structure model has both superlattice and bulk alloy properties. The results indicate that large light-hole masses, i.e., of about 0.23, produced by band mixing effects, are required to account for the experimental data. Furthermore, it is shown that superlattice effects rapidly decrease for energies greater than the confining potential barriers. Overall, the theoretical results are in very good agreement with the experimental data and show the importance of including exciton effects in the index of refraction.

  2. Germanium-tin multiple quantum well on silicon avalanche photodiode for photodetection at two micron wavelength

    NASA Astrophysics Data System (ADS)

    Dong, Yuan; Wang, Wei; Lee, Shuh Ying; Lei, Dian; Gong, Xiao; Khai Loke, Wan; Yoon, Soon-Fatt; Liang, Gengchiau; Yeo, Yee-Chia

    2016-09-01

    We report the demonstration of a germanium-tin multiple quantum well (Ge0.9Sn0.1 MQW)-on-Si avalanche photodiode (APD) for light detection near the 2 μm wavelength range. The measured spectral response covers wavelengths from 1510 to 2003 nm. An optical responsivity of 0.33 A W‑1 is achieved at 2003 nm due to the internal avalanche gain. In addition, a thermal coefficient of breakdown voltage is extracted to be 0.053% K‑1 based on the temperature-dependent dark current measurement. As compared to the traditional 2 μm wavelength APDs, the Si-based APD is promising for its small excess noise factor, less stringent demand on temperature stability, and its compatibility with silicon technology.

  3. Improved characteristics of ultraviolet AlGaN multiple-quantum-well laser diodes with step-graded quantum barriers close to waveguide layers

    NASA Astrophysics Data System (ADS)

    Cai, Xuefen; Li, Shuping; Kang, Junyong

    2016-09-01

    Ultraviolet AlGaN multiple-quantum-well laser diodes (LDs) with step-graded quantum barriers (QBs) instead of conventional first and last QBs close to waveguide layers are proposed. The characteristics of this type of laser diodes are numerically investigated by using the software PICS3D and it is found that the performances of these LDs are greatly improved. The results indicates that the structure with step-graded QBs exhibits higher output light power, slope efficiency and emission intensity, as well as lower series resistance and threshold current density under the identical condition, compared with conventional LD structure.

  4. Roles of V-shaped pits on the improvement of quantum efficiency in InGaN/GaN multiple quantum well light-emitting diodes

    SciTech Connect

    Quan, Zhijue Wang, Li Zheng, Changda; Liu, Junlin; Jiang, Fengyi

    2014-11-14

    The roles of V-shaped pits on the improvement of quantum efficiency in InGaN/GaN multiple quantum well (MQW) light-emitting diodes are investigated by numerical simulation. The simulation results show that V-shaped pits cannot only screen dislocations, but also play an important role on promoting hole injection into the MQWs. It is revealed that the injection of holes into the MQW via the sidewalls of the V-shaped pits is easier than via the flat region, due to the lower polarization charge densities in the sidewall structure with lower In concentration and (10–11)-oriented semi-polar facets.

  5. Strain-balanced InGaN/GaN multiple quantum wells

    SciTech Connect

    Van Den Broeck, D. M.; Hosalli, A. M.; Bedair, S. M.; Bharrat, D.; El-Masry, N. A.

    2014-07-21

    InGaN/GaN multiple quantum well (MQW) structures suffer from a high amount of compressive strain in the InGaN wells and the accompanied piezoelectric field resulting in both a blue shift in emission and a reduction of emission intensity. We report the growth of In{sub x}Ga{sub 1−x}N/GaN “strain-balanced” multiple quantum wells (SBMQWs) grown on thick In{sub y}Ga{sub 1−y}N templates for x > y by metal organic chemical vapor deposition. SBMQWs consist of alternating layers of In{sub x}Ga{sub 1−x}N wells and GaN barriers under compressive and tensile stress, respectively, which have been lattice matched to a thick In{sub y}Ga{sub 1−y}N template. Growth of the In{sub y}Ga{sub 1−y}N template is also detailed in order to achieve thick, relaxed In{sub y}Ga{sub 1−y}N grown on GaN without the presence of V-grooves. When compared to conventional In{sub x}Ga{sub 1−x}N/GaN MQWs grown on GaN, the SBMQW structures exhibit longer wavelength emission and higher emission intensity for the same InN mole fraction due to a reduction in the well strain and piezoelectric field. By matching the average lattice constant of the MQW active region to the lattice constant of the In{sub y}Ga{sub 1−y}N template, essentially an infinite number of periods can be grown using the SBMQW growth method without relaxation-related effects. SBMQWs can be utilized to achieve longer wavelength emission in light emitting diodes without the use of excess indium and can be advantageous in addressing the “green gap.”.

  6. Multiple excitons and the electron phonon bottleneck in semiconductor quantum dots: An ab initio perspective

    NASA Astrophysics Data System (ADS)

    Prezhdo, Oleg V.

    2008-07-01

    The article presents the current perspective on the nature of photoexcited states in semiconductor quantum dots (QDs). The focus is on multiple excitons and photo-induced electron-phonon dynamics in PbSe and CdSe QDs, and the advocated view is rooted in the results of ab initio studies in both energy and time domains. As a new type of material, semiconductor QDs represent the borderline between chemistry and physics, exhibiting both molecular and bulk-like properties. Similar to atoms and molecules, the electronic spectra of QD show discrete bands. Just as bulk semiconductors, QDs comprise multiple copies of the elementary unit cell, and are characterized by valence and conduction bands. The electron-phonon coupling in QDs is weaker than in molecules, but stronger than in bulk semiconductors. Unlike either material, the QD properties can be tuned continuously by changing QD size and shape. The molecular and bulk points of view often lead to contradicting conclusions. For example, the molecular view suggests that the excitations in QDs should exhibit strong electron-correlation (excitonic) effects, and that the electron-phonon relaxation should be slow due to the discrete nature of the optical bands and the mismatch of the electronic energy gaps with vibrational frequencies. In contrast, a finite-size limit of bulk properties indicates that the kinetic energy of quantum confinement should be significantly greater than excitonic effects and that the electron-phonon relaxation inside the quasi-continuous bands should be efficient. Such qualitative differences have generated heated discussions in the literature. The great potential of QDs for a variety of applications, including photovoltaics, spintronics, lasers, light-emitting diodes, and field-effect transistors makes it crutual to settle the debates. By synthesizing different viewpoints and presenting a unified atomistic picture of the excited state processes, our ab initio analysis clarifies the controversies

  7. Iii-V Compound Multiple Quantum Well Based Modulator and Switching Devices.

    NASA Astrophysics Data System (ADS)

    Hong, Songcheol

    A general formalism to study the absorption and photocurrent in multiple quantum well is provided with detailed consideration of quantum confined Stark shift, exciton binding energy, line broadening, tunneling, polarization, and strain effects. Results on variation of exciton size, binding energies and transition energies as a function electric field and well size have been presented. Inhomogeneous line broadening of exciton lines due to interface roughness, alloy disorder and well to well size fluctuation is calculated. The potential of material tailoring by introducing strain for specific optical response is discussed. Theoretical and experimental results on excitonic and band-to-band absorption spectra in strained multi-quantum well structures are shown. I also report on polarization dependent optical absorption for excitonic and interband transitions in lattice matched and strained multiquantum well structures in presence of transverse electric field. Photocurrent in a p-i(MQW)-n diode with monochromatic light is examined with respect to different temperatures and intensities. The negative resistance of I-V characteristic of the p-i-n diode is based on the quantum confined Stark effect of the heavy hole excitonic transition in a multiquantum well. This exciton based photocurrent characteristic allows efficient switching. A general purpose low power optical logic device using the controller-modulator concept bas been proposed and realized. The controller is a heterojunction phototransistor with multiquantum wells in the base-collector depletion region. This allows an amplified photocurrent controlled voltage feedback with low light intensity levels. Detailed analysis of the sensitivity of this device in various modes of operation is studied. Studies are also presented on the cascadability of the device as well as its integrating -thresholding properties. A multiquantum well heterojunction bipolar transistor (MHBT), which has N^+ -p^+-i(MQW)-N structure has been

  8. Trace level detection of compounds related to the chemical weapons convention by 1H-detected 13C NMR spectroscopy executed with a sensitivity-enhanced, cryogenic probehead.

    PubMed

    Cullinan, David B; Hondrogiannis, George; Henderson, Terry J

    2008-04-15

    Two-dimensional 1H-13C HSQC (heteronuclear single quantum correlation) and fast-HMQC (heteronuclear multiple quantum correlation) pulse sequences were implemented using a sensitivity-enhanced, cryogenic probehead for detecting compounds relevant to the Chemical Weapons Convention present in complex mixtures. The resulting methods demonstrated exceptional sensitivity for detecting the analytes at trace level concentrations. 1H-13C correlations of target analytes at < or = 25 microg/mL were easily detected in a sample where the 1H solvent signal was approximately 58,000-fold more intense than the analyte 1H signals. The problem of overlapping signals typically observed in conventional 1H spectroscopy was essentially eliminated, while 1H and 13C chemical shift information could be derived quickly and simultaneously from the resulting spectra. The fast-HMQC pulse sequences generated magnitude mode spectra suitable for detailed analysis in approximately 4.5 h and can be used in experiments to efficiently screen a large number of samples. The HSQC pulse sequences, on the other hand, required roughly twice the data acquisition time to produce suitable spectra. These spectra, however, were phase-sensitive, contained considerably more resolution in both dimensions, and proved to be superior for detecting analyte 1H-13C correlations. Furthermore, a HSQC spectrum collected with a multiplicity-edited pulse sequence provided additional structural information valuable for identifying target analytes. The HSQC pulse sequences are ideal for collecting high-quality data sets with overnight acquisitions and logically follow the use of fast-HMQC pulse sequences to rapidly screen samples for potential target analytes. Use of the pulse sequences considerably improves the performance of NMR spectroscopy as a complimentary technique for the screening, identification, and validation of chemical warfare agents and other small-molecule analytes present in complex mixtures and environmental

  9. Use of external cavity quantum cascade laser compliance voltage in real-time trace gas sensing of multiple chemicals

    SciTech Connect

    Phillips, Mark C.; Taubman, Matthew S.; Kriesel, Jason M.

    2015-02-08

    We describe a prototype trace gas sensor designed for real-time detection of multiple chemicals. The sensor uses an external cavity quantum cascade laser (ECQCL) swept over its tuning range of 940-1075 cm-1 (9.30-10.7 µm) at a 10 Hz repetition rate.

  10. Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library.

    PubMed

    Olivares-Amaya, Roberto; Watson, Mark A; Edgar, Richard G; Vogt, Leslie; Shao, Yihan; Aspuru-Guzik, Alán

    2010-01-12

    Two new tools for the acceleration of computational chemistry codes using graphical processing units (GPUs) are presented. First, we propose a general black-box approach for the efficient GPU acceleration of matrix-matrix multiplications where the matrix size is too large for the whole computation to be held in the GPU's onboard memory. Second, we show how to improve the accuracy of matrix multiplications when using only single-precision GPU devices by proposing a heterogeneous computing model, whereby single- and double-precision operations are evaluated in a mixed fashion on the GPU and central processing unit, respectively. The utility of the library is illustrated for quantum chemistry with application to the acceleration of resolution-of-the-identity second-order Møller-Plesset perturbation theory calculations for molecules, which we were previously unable to treat. In particular, for the 168-atom valinomycin molecule in a cc-pVDZ basis set, we observed speedups of 13.8, 7.8, and 10.1 times for single-, double- and mixed-precision general matrix multiply (SGEMM, DGEMM, and MGEMM), respectively. The corresponding errors in the correlation energy were reduced from -10.0 to -1.2 kcal mol(-1) for SGEMM and MGEMM, respectively, while higher accuracy can be easily achieved with a different choice of cutoff parameter.

  11. Phase control of Goos-Hänchen shift via biexciton coherence in a multiple quantum well

    NASA Astrophysics Data System (ADS)

    Asadpour, Seyyed Hossein; Nasehi, Rajab; Soleimani, H. Rahimpour; Mahmoudi, M.

    2015-09-01

    The behavior of the Goos-Hänchen (GH) shifts of the reflected and transmitted probe and signal pulses through a cavity containing four-level GaAs/AlGaAs multiple quantum wells with 15 periods of 17.5 nm GaAs wells and 15-nm Al0.3Ga0.7As barriers is theoretically discussed. The biexciton coherence set up by two coupling fields can induce the destructive interference to control the absorption and gain properties of probe field under appropriate conditions. It is realized that for the specific values of the intensities and the relative phase of applied fields, the simultaneous negative or positive GH shift in the transmitted and reflected light beam can be obtained via amplification in a probe light. It is found that by adjusting the controllable parameters, the GH shifts can be switched between the large positive and negative values in the medium. Moreover, the effect of exciton spin relaxation on the GH shift has also been discussed. We find that the exciton spin relaxation can manipulate the behavior of GH shift in the reflected and transmitted probe beam through the cavity. We show that by controlling the incident angles of probe beam and under certain conditions, the GH shifts in the reflected and transmitted probe beams can become either negative or positive corresponding to the superluminal or subluminal light propagation. Our proposed model may supply a new prospect in technological applications for the light amplification in optical sensors working on quantum coherence impacts in solid-state systems.

  12. Multiple lobes in the far-field distribution of terahertz quantum-cascade lasers due to self-interference

    NASA Astrophysics Data System (ADS)

    Röben, B.; Wienold, M.; Schrottke, L.; Grahn, H. T.

    2016-06-01

    The far-field distribution of the emission intensity of terahertz (THz) quantum-cascade lasers (QCLs) frequently exhibits multiple lobes instead of a single-lobed Gaussian distribution. We show that such multiple lobes can result from self-interference related to the typically large beam divergence of THz QCLs and the presence of an inevitable cryogenic operation environment including optical windows. We develop a quantitative model to reproduce the multiple lobes. We also demonstrate how a single-lobed far-field distribution can be achieved.

  13. A VISTA on PD-1H.

    PubMed

    Liu, Yang

    2014-05-01

    Three years ago, two research groups independently identified a previously undescribed T cell cosignaling molecule; one referred to it as V-domain Ig suppressor of T cell activation (VISTA), and the other used the term programmed death-1 homolog (PD-1H). Recombinant and ectopically expressed PD-1H functions as a coinhibitory ligand for T cell responses. However, the function of endogenous PD-1H is not clear. In this issue of the JCI, Flies and colleagues demonstrate that endogenous PD-1H on both T cells and APCs serves as a coinhibitory molecule for T cell activation and provide further support for targeting PD-1H as a therapeutic strategy for transplantation and cancers.

  14. Study of multiple InAs/GaAs quantum-well structures by electroreflectance spectroscopy

    SciTech Connect

    Bolshakov, A. S. Chaldyshev, V. V. Babichev, A. V.; Kudryashov, D. A.; Gudovskikh, A. S.; Morozov, I. A.; Sobolev, M. S.; Nikitina, E. V.

    2015-11-15

    A periodic Bragg heterostructure with three ultrathin InAs/GaAs quantum wells in a period is fabricated and studied. The splitting energy of exciton transitions in quantum wells is determined by the electroreflectance- spectroscopy method and numerical quantum-mechanical calculation. The significant influence of interference effects on individual peak areas in the electroreflectance spectrum is detected.

  15. Controllably releasing long-lived quantum memory for photonic polarization qubit into multiple spatially-separate photonic channels

    PubMed Central

    Chen, Lirong; Xu, Zhongxiao; Zeng, Weiqing; Wen, Yafei; Li, Shujing; Wang, Hai

    2016-01-01

    We report an experiment in which long-lived quantum memories for photonic polarization qubits (PPQs) are controllably released into any one of multiple spatially-separate channels. The PPQs are implemented with an arbitrarily-polarized coherent signal light pulses at the single-photon level and are stored in cold atoms by means of electromagnetic-induced-transparency scheme. Reading laser pulses propagating along the direction at a small angle relative to quantum axis are applied to release the stored PPQs into an output channel. By changing the propagating directions of the read laser beam, we controllably release the retrieved PPQs into 7 different photonic output channels, respectively. At a storage time of δt = 5 μs, the least quantum-process fidelity in 7 different output channels is ~89%. At one of the output channels, the measured maximum quantum-process fidelity for the PPQs is 94.2% at storage time of δt = 0.85 ms. At storage time of 6 ms, the quantum-process fidelity is still beyond the bound of 78% to violate the Bell’s inequality. The demonstrated controllable release of the stored PPQs may extend the capabilities of the quantum information storage technique. PMID:27667262

  16. Controllably releasing long-lived quantum memory for photonic polarization qubit into multiple spatially-separate photonic channels

    NASA Astrophysics Data System (ADS)

    Chen, Lirong; Xu, Zhongxiao; Zeng, Weiqing; Wen, Yafei; Li, Shujing; Wang, Hai

    2016-09-01

    We report an experiment in which long-lived quantum memories for photonic polarization qubits (PPQs) are controllably released into any one of multiple spatially-separate channels. The PPQs are implemented with an arbitrarily-polarized coherent signal light pulses at the single-photon level and are stored in cold atoms by means of electromagnetic-induced-transparency scheme. Reading laser pulses propagating along the direction at a small angle relative to quantum axis are applied to release the stored PPQs into an output channel. By changing the propagating directions of the read laser beam, we controllably release the retrieved PPQs into 7 different photonic output channels, respectively. At a storage time of δt = 5 μs, the least quantum-process fidelity in 7 different output channels is ~89%. At one of the output channels, the measured maximum quantum-process fidelity for the PPQs is 94.2% at storage time of δt = 0.85 ms. At storage time of 6 ms, the quantum-process fidelity is still beyond the bound of 78% to violate the Bell’s inequality. The demonstrated controllable release of the stored PPQs may extend the capabilities of the quantum information storage technique.

  17. Effect of exciton oscillator strength on upconversion photoluminescence in GaAs/AlAs multiple quantum wells

    SciTech Connect

    Kojima, Osamu Okumura, Shouhei; Kita, Takashi; Akahane, Kouichi

    2014-11-03

    We report upconversion photoluminescence (UCPL) in GaAs/AlAs multiple quantum wells. UCPL from the AlAs barrier is caused by the resonant excitation of the excitons in the GaAs well. When the quantum well has sufficient miniband width, UCPL is hardly observed because of the small exciton oscillator strength. The excitation-energy and excitation-density dependences of UCPL intensity show the exciton resonant profile and a linear increase, respectively. These results demonstrate that the observed UCPL caused by the saturated two-step excitation process requires a large number of excitons.

  18. Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo.

    PubMed

    Zulfikri, Habiburrahman; Amovilli, Claudio; Filippi, Claudia

    2016-03-01

    We introduce a novel class of local multideterminant Jastrow-Slater wave functions for the efficient and accurate treatment of excited states in quantum Monte Carlo. The wave function is expanded as a linear combination of excitations built from multiple sets of localized orbitals that correspond to the bonding patterns of the different Lewis resonance structures of the molecule. We capitalize on the concept of orbital domains of local coupled-cluster methods, which is here applied to the active space to select the orbitals to correlate and construct the important transitions. The excitations are further grouped into classes, which are ordered in importance and can be systematically included in the Jastrow-Slater wave function to ensure a balanced description of all states of interest. We assess the performance of the proposed wave function in the calculation of vertical excitation energies and excited-state geometry optimization of retinal models whose π → π* state has a strong intramolecular charge-transfer character. We find that our multiresonance wave functions recover the reference values of the total energies of the ground and excited states with only a small number of excitations and that the same expansion can be flexibly used at very different geometries. Furthermore, significant computational saving can also be gained in the orbital optimization step by selectively mixing occupied and virtual orbitals based on spatial considerations without loss of accuracy on the excitation energy. Our multiresonance wave functions are therefore compact, accurate, and very promising for the calculation of multiple excited states of different character in large molecules.

  19. Quasiequilibrium states in thermotropic liquid crystals studied by multiple-quantum NMR

    NASA Astrophysics Data System (ADS)

    Buljubasich, L.; Monti, G. A.; Acosta, R. H.; Bonin, C. J.; González, C. E.; Zamar, R. C.

    2009-01-01

    Previous work showed that by means of the Jeener-Broekaert (JB) experiment, two quasiequilibrium states can be selectively prepared in the proton spin system of thermotropic nematic liquid crystals (LCs) in a strong magnetic field. The similarity of the experimental results obtained in a variety of LC in a broad Larmor frequency range, with crystal hydrates, supports the assumption that also in LC the two spin reservoirs, into which the Zeeman order is transferred, originate in the dipolar energy and that they are associated with a separation in energy scales: A constant of motion related to the stronger dipolar interactions (S), and a second one (W) corresponding to the secular part of the weaker dipolar interactions with regard to the Zeeman and the strong dipolar part. We study the nature of these quasi-invariants in nematic 5CB (4'-pentyl-4-biphenyl-carbonitrile) and measure their relaxation times by encoding the multiple-quantum coherences of the states following the JB pulse pair on two orthogonal bases, Z and X. The experiments were also performed in powder adamantane at 301K which is used as a reference compound having only one dipolar quasi-invariant. We show that the evolution of the quantum states during the buildup of the quasiequilibrium state in 5CB prepared under the S condition is similar to the case of powder adamantane and that their quasiequilibrium density operators have the same tensor structure. In contrast, the second constant of motion, whose explicit operator form is not known, involves a richer composition of multiple-quantum coherences of even order on the X basis, in consistency with the truncation inherent in its definition. We exploited the exclusive presence of coherences of ±4,±6,±8, besides 0 and ±2 under the W condition to measure the spin-lattice relaxation time TW accurately, so avoiding experimental difficulties that usually impair dipolar order relaxation measurement such as Zeeman contamination at high fields and also

  20. Quasiequilibrium states in thermotropic liquid crystals studied by multiple-quantum NMR.

    PubMed

    Buljubasich, L; Monti, G A; Acosta, R H; Bonin, C J; González, C E; Zamar, R C

    2009-01-14

    Previous work showed that by means of the Jeener-Broekaert (JB) experiment, two quasiequilibrium states can be selectively prepared in the proton spin system of thermotropic nematic liquid crystals (LCs) in a strong magnetic field. The similarity of the experimental results obtained in a variety of LC in a broad Larmor frequency range, with crystal hydrates, supports the assumption that also in LC the two spin reservoirs, into which the Zeeman order is transferred, originate in the dipolar energy and that they are associated with a separation in energy scales: A constant of motion related to the stronger dipolar interactions (S), and a second one (W) corresponding to the secular part of the weaker dipolar interactions with regard to the Zeeman and the strong dipolar part. We study the nature of these quasi-invariants in nematic 5CB (4(')-pentyl-4-biphenyl-carbonitrile) and measure their relaxation times by encoding the multiple-quantum coherences of the states following the JB pulse pair on two orthogonal bases, Z and X. The experiments were also performed in powder adamantane at 301 K which is used as a reference compound having only one dipolar quasi-invariant. We show that the evolution of the quantum states during the buildup of the quasiequilibrium state in 5CB prepared under the S condition is similar to the case of powder adamantane and that their quasiequilibrium density operators have the same tensor structure. In contrast, the second constant of motion, whose explicit operator form is not known, involves a richer composition of multiple-quantum coherences of even order on the X basis, in consistency with the truncation inherent in its definition. We exploited the exclusive presence of coherences of +/-4,+/-6,+/-8, besides 0 and +/-2 under the W condition to measure the spin-lattice relaxation time T(W) accurately, so avoiding experimental difficulties that usually impair dipolar order relaxation measurement such as Zeeman contamination at high fields and

  1. Optical resonance modes in InGaN/GaN multiple-quantum-well microring cavities

    SciTech Connect

    Zeng, K.C.; Dai, L.; Lin, J.Y.; Jiang, H.X.

    1999-10-01

    Microrings of varying sizes have been fabricated from In{sub x}Ga{sub 1{minus}x}N/GaN (x{approximately}0.15) multiple quantum wells (MQWs). Photolithography and dry etching techniques including both ion-beam and inductively coupled plasma etching were employed to pattern the III{endash}nitride MQW microrings. Individual microrings were optically pumped and optical resonance modes were observed. The observed mode spacings were consistent with those expected for whispering-gallery (WG) modes within a resonant cavity of cylindrical symmetry, refractive index, and dimensions of the rings under investigation. The results obtained from the microring cavities were compared with those of the III{endash}nitride MQW microdisk cavities. Our results have indicated that resonance modes corresponding to the radial and the WG modes are simultaneously present in microdisk cavities, but only WG modes are available from the microring cavities. Implications of our results on future GaN-based microcavity light emitters have been discussed. {copyright} {ital 1999 American Institute of Physics.}

  2. Effective drift mobility approximation in multiple quantum-well solar cell

    NASA Astrophysics Data System (ADS)

    Toprasertpong, Kasidit; Inoue, Tomoyuki; Watanabe, Kentaroh; Kita, Takashi; Sugiyama, Masakazu; Nakano, Yoshiaki

    2016-03-01

    Multiple quantum well (MQW) solar cells have been explored as one promising next-generation solar cells toward high conversion efficiency. However, the dynamics of photogenerated carriers in MQWs are complicated, making it difficult to predict the device performance. Our purpose of this study is to investigate a model for the photocurrent component characteristics of MQW cells based on experimental findings. Using our proposed carrier time-of-flight technique, we have found that the carrier averaged drift velocity has linear dependence on the internal field regardless of complicated carrier cascade dynamics in MQW. This behavior is similar to carriers in bulk materials, allowing us to approximate the MQW region as a quasi-bulk material with specific effective drift mobility. With the effective drift mobility and equivalent material parameters such as effective density of states, the quasi-bulk approach reduces the device complexity, and the characteristics of such MQW cells can be simulated using the conventional drift-diffusion model. We have confirmed this model with experimentally obtained photocurrent characteristics. The simulation of carrier collection efficiency (CCE)—normalized photocurrent—based on the effective mobility approximation, or quasibulk approximation, agrees well with the experimental results when the carrier lifetime is set to be in the order of hundred nanoseconds. This simplified model enhances our understanding of the MQW cell operation and helps design the optimal structure for better performance.

  3. Germanium-tin interdiffusion in strained Ge/GeSn multiple-quantum-well structure

    NASA Astrophysics Data System (ADS)

    Wang, Wei; Dong, Yuan; Zhou, Qian; Tok, Eng Soon; Yeo, Yee-Chia

    2016-06-01

    The thermal stability and germanium-tin (Ge-Sn) interdiffusion properties were studied in epitaxial Ge/GeSn multiple-quantum-well (MQW) structure. No obvious interdiffusion was observed for annealing temperatures of 300 °C or below, while observable interdiffusion occurred for annealing temperatures of 380 °C and above. High-resolution x-ray diffraction was used to obtain the interdiffusion coefficient by analyzing the decrease rate of Ge/GeSn periodic satellite peaks. The interdiffusion coefficient is much higher, and the activation enthalpy of 1.21 eV is substantially lower in Ge/GeSn MQW structure than that previously reported in silicon-germanium (Si-Ge) systems. When the annealing temperature is increased to above 500 °C, Ge-Sn interdiffusion becomes severe. Some small pits appear on the surface, which should be related to Sn out-diffusion to the Ge cap layer, followed by Sn desorption from the top surface. This work provides insights into the Ge-Sn interdiffusion and Sn segregation behaviors in Ge/GeSn MQW structure, and the thermal budget that may be used for fabrication of devices comprising Ge/GeSn heterostructures.

  4. Evaluation of lactate detection using selective multiple quantum coherence in phantoms and brain tumours

    PubMed Central

    Harris, L M; Tunariu, N; Messiou, C; Hughes, J; Wallace, T; DeSouza, N M; Leach, M O; Payne, G S

    2015-01-01

    Lactate is a product of glucose metabolism. In tumour tissues, which exhibit enhanced glycolytic metabolism, lactate signals may be elevated, making lactate a potential useful tumour biomarker. Methods of lactate quantitation are complicated because of overlap between the lactate methyl doublet CH3 resonance and a lipid resonance at 1.3 ppm. This study presents the use of a selective homonuclear multiple quantum coherence transfer sequence (SelMQC-CSI), at 1.5 T, to better quantify lactate in the presence of lipids. Work performed on phantoms showed good lactate detection (49%) and lipid suppression (98%) efficiencies. To evaluate the method in the brain, the sequence was tested on a group of 23 patients with treated brain tumours, either glioma (N = 20) or secondary metastases in the brain (N = 3). Here it was proved to be of use in determining lactate concentrations in vivo. Lactate was clearly seen in SelMQC spectra of glioma, even in the presence of lipids, with high grade glioma (7.3 ± 1.9 mM, mean ± standard deviation) having higher concentrations than low grade glioma (1.9 ± 1.5 mM, p = 0.048). Lactate was not seen in secondary metastases in the brain. SelMQC-CSI is shown to be a useful technique for measuring lactate in tumours whose signals are otherwise contaminated by lipid. © 2015 The Authors NMR in Biomedicine Published by John Wiley & Sons Ltd. PMID:25586623

  5. Evaluation of lactate detection using selective multiple quantum coherence in phantoms and brain tumours.

    PubMed

    Harris, L M; Tunariu, N; Messiou, C; Hughes, J; Wallace, T; DeSouza, N M; Leach, M O; Payne, G S

    2015-03-01

    Lactate is a product of glucose metabolism. In tumour tissues, which exhibit enhanced glycolytic metabolism, lactate signals may be elevated, making lactate a potential useful tumour biomarker. Methods of lactate quantitation are complicated because of overlap between the lactate methyl doublet CH3 resonance and a lipid resonance at 1.3 ppm. This study presents the use of a selective homonuclear multiple quantum coherence transfer sequence (SelMQC-CSI), at 1.5 T, to better quantify lactate in the presence of lipids. Work performed on phantoms showed good lactate detection (49%) and lipid suppression (98%) efficiencies. To evaluate the method in the brain, the sequence was tested on a group of 23 patients with treated brain tumours, either glioma (N=20) or secondary metastases in the brain (N=3). Here it was proved to be of use in determining lactate concentrations in vivo. Lactate was clearly seen in SelMQC spectra of glioma, even in the presence of lipids, with high grade glioma (7.3 ± 1.9 mM, mean ± standard deviation) having higher concentrations than low grade glioma (1.9 ± 1.5 mM, p=0.048). Lactate was not seen in secondary metastases in the brain. SelMQC-CSI is shown to be a useful technique for measuring lactate in tumours whose signals are otherwise contaminated by lipid.

  6. Barrier potential design criteria in multiple-quantum-well-based solar-cell structures

    NASA Technical Reports Server (NTRS)

    Mohaidat, Jihad M.; Shum, Kai; Wang, W. B.; Alfano, R. R.

    1994-01-01

    The barrier potential design criteria in multiple-quantum-well (MQW)-based solar-cell structures is reported for the purpose of achieving maximum efficiency. The time-dependent short-circuit current density at the collector side of various MQW solar-cell structures under resonant condition was numerically calculated using the time-dependent Schroedinger equation. The energy efficiency of solar cells based on the InAs/Ga(y)In(1-y)As and GaAs/Al(x)Ga(1-x)As MQW structues were compared when carriers are excited at a particular solar-energy band. Using InAs/Ga(y)In(1-y)As MQW structures it is found that a maximum energy efficiency can be achieved if the structure is designed with barrier potential of about 450 meV. The efficiency is found to decline linearly as the barrier potential increases for GaAs/Al(x)Ga(1-x)As MQW-structure-based solar cells.

  7. Ultrafast biexciton spectroscopy in semiconductor quantum dots: evidence for early emergence of multiple-exciton generation

    PubMed Central

    Choi, Younghwan; Sim, Sangwan; Lim, Seong Chu; Lee, Young Hee; Choi, Hyunyong

    2013-01-01

    Understanding multiple-exciton generation (MEG) in quantum dots (QDs) requires in-depth measurements of transient exciton dynamics. Because MEG typically faces competing ultrafast energy-loss intra-band relaxation, it is of central importance to investigate the emerging time-scale of the MEG kinetics. Here, we present ultrafast spectroscopic measurements of the MEG in PbS QDs via probing the ground-state biexciton transients. Specifically, we directly compare the biexciton spectra with the single-exciton ones before and after the intra-band relaxation. Early emergence of MEG is evidenced by observing transient Stark shift and quasi-instantaneous linewidth broadening, both of which take place before the intra-band relaxation. Photon-density-dependent study shows that the broadened biexciton linewidth strongly depends on the MEG-induced extra-exciton generation. Long after the intra-band relaxation, the biexciton broadening is small and the single-exciton state filling is dominant. PMID:24220495

  8. On multiple component detection in molecular plasmas using cw external-cavity quantum cascade infrared lasers

    NASA Astrophysics Data System (ADS)

    Lopatik, Dmitry; Lang, Norbert; Macherius, Uwe; Zimmermann, Henrik; Roepcke, Juergen

    2012-10-01

    Several cw external cavity quantum cascade lasers (EC-QCLs) have been tested as radiation sources for an absorption spectrometer focused on the analysis of molecular plasmas. Based on the wide spectral tunability of EC-QCLs multiple species detection is demonstrated in low pressure Ar/N2 MW plasmas containing CH4 as hydrocarbon precursor. Using the direct absorption technique the evolution of the concentrations of CH4, C2H2, HCN and H2O has been monitored depending on the discharge conditions (p= 0.5 mbar, f= 2.45 GHz) in a planar MW plasma reactor. The concentrations were found to be in the range of 10 ^11 -- 10 ^14 molecules cm-3. Based on the profiles of absorption lines the gas temperature Tg has been calculated in dependence on the discharge power. Changing the discharge power from 0.2 kW to 1 kW leads to an increase of Tg from 400 to 700 K. The typical spectral line width of the EC-QCLs under the study was about 30 MHz. Varying the power values of an EC-QCL for direct absorption measurements at low pressure conditions no saturation effects in determining the concentrations of CH4 and C2H2 could be found under the used conditions.

  9. Modeling and simulation of magnetic resonance imaging based on intermolecular multiple quantum coherences

    NASA Astrophysics Data System (ADS)

    Cai, Congbo; Dong, Jiyang; Cai, Shuhui; Cheng, En; Chen, Zhong

    2006-11-01

    Intermolecular multiple quantum coherences (iMQCs) have many potential applications since they can provide interaction information between different molecules within the range of dipolar correlation distance, and can provide new contrast in magnetic resonance imaging (MRI). Because of the non-localized property of dipolar field, and the non-linear property of the Bloch equations incorporating the dipolar field term, the evolution behavior of iMQC is difficult to deduce strictly in many cases. In such cases, simulation studies are very important. Simulation results can not only give a guide to optimize experimental conditions, but also help analyze unexpected experimental results. Based on our product operator matrix and the K-space method for dipolar field calculation, the MRI simulation software was constructed, running on Windows operation system. The non-linear Bloch equations are calculated by a fifth-order Cash-Karp Runge-Kutta formulism. Computational time can be efficiently reduced by separating the effects of chemical shifts and strong gradient field. Using this software, simulation of different kinds of complex MRI sequences can be done conveniently and quickly on general personal computers. Some examples were given. The results were discussed.

  10. Defect Creation in InGaAs/GaAs Multiple Quantum Wells - II. Optical Properties

    NASA Astrophysics Data System (ADS)

    Karow, Matthias M.; Faleev, Nikolai N.; Maros, Aymeric; Honsberg, Christiana B.

    2015-09-01

    The optical properties of three sets of InGaAs/GaAs multiple quantum well (MQW) structures grown by molecular beam epitaxy and previously characterized by x-ray diffraction for crystal perfection were investigated. The correlations between growth conditions, crystal defects, and optical properties are discussed. Evaluation of the relative importance of non-radiative Shockley-Read-Hall (SRH) recombination was carried out according to a method presented herein. The optimal deposition temperature was determined based on both proper carrier confinement in the nanostructures and the least non-radiative recombination. Growing below this temperature increased SRH-recombination whereas higher growth temperatures led to carrier localization in local band edge minima. Varying the MQW periodicity and MQW period allowed the study of their effects on the strength of SRH-recombination. MQW periodicity results are explained in the frame of a cumulative deterioration effect with continued epitaxial growth, while MQW period data shows correlations between relaxation of the initial elastic stress and SRH-strength. Limitations of the underlying model for SRH-analysis are pointed out.

  11. Flowing versus Static Conditions for Measuring Multiple Exciton Generation in PbSe Quantum Dots

    SciTech Connect

    Midgett, Aaron G.; Hillhouse, Hugh W.; Hughes, Barbara K.; Nozik, Arthur J.; Beard, Matthew C.

    2010-09-22

    Recent reports question the validity of pulsed fs-laser experiments for measuring the photon-to-exciton quantum yields (QYs) that result from multiple exciton generation (MEG). The repetitive nature of these experiments opens up an alternative relaxation pathway that may produce artificially high results. We present transient-absorption (TA) data for 4.6 and 6.6 nm diameter PbSe quantum dots (QDs) at a variety of pump photon energies. The data are collected under laminar flow conditions with volumetric flow rates ranging from 0 to 150 mL/min (resulting in Reynolds numbers up to 460). The results are modeled with a spatially resolved population balance of generation, recombination, convective replacement, and accumulation of long-lived excited QDs. By comparing the simulations and experiments, the steady-state population of the long-lived QD-excited states and their kinetics are determined for different experimental conditions. We also improve upon reported photon-to-exciton QYs for PbSe QDs. We find differences in the observed TA dynamics between flowing and static conditions that depend upon photon fluence, pump photon energy, and quality of the QD surfaces. For excitation energies below 2 Eg, independent of QD size or photon fluence, we observe no flow rate dependence in the TA dynamics. At excitation energies of hν > 3 Eg, we observe differences between static and flowing conditions that are most pronounced for high photon fluences. At 3.7 Eg and for 4.6 nm PbSe QDs we find a QY of 1.2 ± 0.1 and at 4.5 Eg the QY is 1.55 ± 0.05. With 6.6 nm QDs excited at 4.7 Eg we observe no difference between static and flowing conditions and find a QY of 1.61 ± 0.05. We also find that by treating the surface of QDs, we can decrease the charging probability (Pg ≈ 5 × 10-5) by a factor of 3-4. The observed variations suggest that different QD samples vary regarding their susceptibility to the

  12. One dimensional 1H, 2H and 3H

    NASA Astrophysics Data System (ADS)

    Vidal, A. J.; Astrakharchik, G. E.; Vranješ Markić, L.; Boronat, J.

    2016-05-01

    The ground-state properties of one-dimensional electron-spin-polarized hydrogen 1H, deuterium 2H, and tritium 3H are obtained by means of quantum Monte Carlo methods. The equations of state of the three isotopes are calculated for a wide range of linear densities. The pair correlation function and the static structure factor are obtained and interpreted within the framework of the Luttinger liquid theory. We report the density dependence of the Luttinger parameter and use it to identify different physical regimes: Bogoliubov Bose gas, super-Tonks-Girardeau gas, and quasi-crystal regimes for bosons; repulsive, attractive Fermi gas, and quasi-crystal regimes for fermions. We find that the tritium isotope is the one with the richest behavior. Our results show unambiguously the relevant role of the isotope mass in the properties of this quantum system.

  13. Efficient charge carrier injection into sub-250 nm AlGaN multiple quantum well light emitting diodes

    SciTech Connect

    Mehnke, Frank Kuhn, Christian; Guttmann, Martin; Reich, Christoph; Kolbe, Tim; Rass, Jens; Wernicke, Tim; Kueller, Viola; Knauer, Arne; Lapeyrade, Mickael; Einfeldt, Sven; Weyers, Markus; Kneissl, Michael

    2014-08-04

    The design and Mg-doping profile of AlN/Al{sub 0.7}Ga{sub 0.3}N electron blocking heterostructures (EBH) for AlGaN multiple quantum well (MQW) light emitting diodes (LEDs) emitting below 250 nm was investigated. By inserting an AlN electron blocking layer (EBL) into the EBH, we were able to increase the quantum well emission power and significantly reduce long wavelength parasitic luminescence. Furthermore, electron leakage was suppressed by optimizing the thickness of the AlN EBL while still maintaining sufficient hole injection. Ultraviolet (UV)-C LEDs with very low parasitic luminescence (7% of total emission power) and external quantum efficiencies of 0.19% at 246 nm have been realized. This concept was applied to AlGaN MQW LEDs emitting between 235 nm and 263 nm with external quantum efficiencies ranging from 0.002% to 0.93%. After processing, we were able to demonstrate an UV-C LED emitting at 234 nm with 14.5 μW integrated optical output power and an external quantum efficiency of 0.012% at 18.2 A/cm{sup 2}.

  14. Strain engineered SiGe multiple-quantum-well nanomembranes for far-infrared intersubband device applications.

    PubMed

    Sookchoo, Pornsatit; Sudradjat, Faisal F; Kiefer, Arnold M; Durmaz, Habibe; Paiella, Roberto; Lagally, Max G

    2013-03-26

    SiGe/Si quantum wells are of great interest for the development of Group-IV THz quantum cascade lasers. The main advantage of Group-IV over III-V materials such as GaAs is that, in the former, polar phonon scattering, which significantly diminishes the efficiency of intersubband light emission, is absent. However, for SiGe/Si multiple-quantum-well structures grown on bulk Si, the lattice mismatch between Si and Ge limits the critical thickness for dislocation formation and thus the number of periods that can be grown. Similarly, the use of composition-graded SiGe films as a lattice-matched substrate leads to the transfer of dislocations from the graded buffer substrate into the quantum wells, with a consequent decrease in light emission efficiency. Here we instead employ nanomembrane strain engineering to fabricate dislocation-free strain relaxed substrates, with lattice constants that match the average lattice constants of the quantum wells. This procedure allows for the growth of many periods with excellent structural properties. The samples in this work were grown by low-pressure chemical vapor deposition and characterized via high-resolution X-ray diffraction and far-infrared transmission spectroscopy, showing narrow intersubband absorption features indicative of high crystalline quality.

  15. Accurate heteronuclear J-coupling measurements in dilute spin systems using the multiple-quantum filtered J-resolved experiment.

    PubMed

    Martineau, Charlotte; Fayon, Franck; Legein, Christophe; Buzaré, Jean-Yves; Silly, Gilles; Massiot, Dominique

    2007-07-14

    A new solid-state MAS NMR experiment is proposed to accurately measure heteronuclear (19)F-(207)Pb J-coupling constants, even though these couplings are not visible on high speed (19)F 1D MAS spectra; in particular, we demonstrate that the J-resolved experiment combined with scalar multiple-quantum filtering considerably improves the resolution of J-multiplet patterns for dilute spin systems. PMID:17594032

  16. Spinning-sideband patterns in multiple-quantum magic-angle spinning NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Friedrich, Ulli

    1998-12-01

    Recent interest has focused on solid-state NMR experiments which excite multiple-quantum (MQ) coherences in the presence of magic-angle spinning (MAS). Such experiments have been applied to both dipolar-coupled spin Ι = 1/2 and half-integer quadrupolar systems. A feature common to both cases is the observation of interesting spinning sideband patterns in the indirect (MQ) dimension. In this paper, the origin of these patterns is reviewed in terms of two distinct mechanisms: first, rotor encoding of the dipolar or quadrupolar interaction caused by the change in the Hamiltonian active during the MQ reconversion period relative to the excitation period (reconversion rotor encoding, RRE); and, second, rotor modulation of the interaction during the evolution of the MQ coherences in the t1 dimension (evolution rotor modulation, ERM). Only the first mechanism is present for total spin coherences, while for lower-order MQ coherences both mechanisms contribute to the pattern. For dipolar and quadrupolar model systems, i.e., the three protons of a methyl group and quadrupolar nuclei with spin Ι = 3/2 and Ι = 5/2 and axially symmetric first-order quadrupolar interactions, analytical expressions are derived for all orders of MQ MAS signals. Simulations based on these analytical expressions and numerical density matrix simulations are compared with experimental spectra. Additional perturbing influences, such as the heteronuclear dipolar coupling between a quadrupolar and a spin Ι = 1/2 nucleus, are taken into account. The effect of dipolar couplings on a quadrupolar MQ spectrum is found to be enhanced by the order of the observed MQ coherence.

  17. Dipolar dynamic frequency shifts in multiple-quantum spectra of methyl groups in proteins: correlation with side-chain motion.

    PubMed

    Tugarinov, Vitali; Ollerenshaw, Jason E; Kay, Lewis E

    2006-07-01

    Small deviations from the expected relative positions of multiplet components in double- and zero-quantum 1H-13C methyl correlation maps have been observed in spectra recorded on a 7-kDa protein. These dynamic frequency shifts (DFS) are the result of dipolar cross-correlations that derive from fields produced by the spins within the methyl groups. The shifts have been quantified and compared with values calculated from a Redfield analysis. Good agreement is noted between the signs of the predicted and experimentally observed relative shifts of lines in both F1 and F2 dimensions of spectra, as well as between the magnitudes of the calculated and observed shifts in the F2 (1H) dimension. The experimental DFS values show a reasonable correlation with 2H relaxation-derived measures of methyl side-chain dynamics, as expected from theory. This suggests that in cases where such shifts can be quantified, they can serve as qualitative measures of motion. PMID:16826549

  18. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method

    NASA Astrophysics Data System (ADS)

    Muthu, S.; Uma Maheswari, J.

    The Fourier transform infrared (FT-IR) and FT-Raman of 4-[(4-aminobenzene) sulfonyl] aniline have been recorded and analyzed. The equilibrium geometry, harmonic vibrational frequencies have been investigated with the help of HF and DFT methods with 6-31G(d,p) as basis set. A detailed interpretation of the vibrational spectra of this compound has been made on the basis of the calculated potential energy distribution (PED). The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO method. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The linear polarizability (α) and the first order hyperpolarizability (β) values of the investigated molecule have been computed using DFT quantum mechanical calculations. UV-vis spectrum of the compound was recorded and electronic properties, such as HOMO and LUMO energies were also performed. Finally the calculations results were applied to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra.

  19. Multiple quantum filtered (23)Na NMR in the Langendorff perfused mouse heart: Ratio of triple/double quantum filtered signals correlates with [Na]i.

    PubMed

    Eykyn, Thomas R; Aksentijević, Dunja; Aughton, Karen L; Southworth, Richard; Fuller, William; Shattock, Michael J

    2015-09-01

    We investigate the potential of multiple quantum filtered (MQF) (23)Na NMR to probe intracellular [Na]i in the Langendorff perfused mouse heart. In the presence of Tm(DOTP) shift reagent the triple quantum filtered (TQF) signal originated largely from the intracellular sodium pool with a 32±6% contribution of the total TQF signal arising from extracellular sodium, whilst the rank 2 double-quantum filtered signal (DQF), acquired with a 54.7° flip-angle pulse, originated exclusively from the extracellular sodium pool. Given the different cellular origins of the (23)Na MQF signals we propose that the TQF/DQF ratio can be used as a semi-quantitative measure of [Na]i in the mouse heart. We demonstrate a good correlation of this ratio with [Na]i measured with shift reagent at baseline and under conditions of elevated [Na]i. We compare the measurements of [Na]i using both shift reagent and TQF/DQF ratio in a cohort of wild type mouse hearts and in a transgenic PLM(3SA) mouse expressing a non-phosphorylatable form of phospholemman, showing a modest but measurable elevation of baseline [Na]i. MQF filtered (23)Na NMR is a potentially useful tool for studying normal and pathophysiological changes in [Na]i, particularly in transgenic mouse models with altered Na regulation.

  20. Correlation between the structural and cathodoluminescence properties in InGaN/GaN multiple quantum wells with large number of quantum wells

    SciTech Connect

    Yang, Jing; Zhao, Degang Jiang, Desheng; Chen, Ping; Zhu, Jianjun; Liu, Zongshun; Le, Lingcong; He, Xiaoguang; Li, Xiaojing; Wang, Hui; Yang, Hui; Jahn, Uwe

    2014-09-01

    Cathodoluminescence (CL) characteristics on 30-period InGaN/GaN multiple quantum well (MQW) solar cell structures are investigated, revealing the relationship between optical and structural properties of the MQW structures with a large number of quantum wells. In the bottom MQW layers, a blueshift of CL peak along the growth direction is found and attributed to the decrease of indium content due to the compositional pulling effect. An obvious split of emission peak and a redshift of the main emission energy are found in the top MQW layers when the MQW grows above the critical layer thickness. They are attributed to the segregation of In-rich InGaN clusters rather than the increase of indium content in quantum well layer. The MQW structure is identified to consist of two regions: a strained one in the bottom, where the indium content is gradually decreased, and a partly relaxed one in the top with segregated In-rich InGaN clusters.

  1. Multiple quantum filtered 23Na NMR in the Langendorff perfused mouse heart: Ratio of triple/double quantum filtered signals correlates with [Na]i

    PubMed Central

    Eykyn, Thomas R.; Aksentijević, Dunja; Aughton, Karen L.; Southworth, Richard; Fuller, William; Shattock, Michael J.

    2015-01-01

    We investigate the potential of multiple quantum filtered (MQF) 23Na NMR to probe intracellular [Na]i in the Langendorff perfused mouse heart. In the presence of Tm(DOTP) shift reagent the triple quantum filtered (TQF) signal originated largely from the intracellular sodium pool with a 32 ± 6% contribution of the total TQF signal arising from extracellular sodium, whilst the rank 2 double-quantum filtered signal (DQF), acquired with a 54.7° flip-angle pulse, originated exclusively from the extracellular sodium pool. Given the different cellular origins of the 23Na MQF signals we propose that the TQF/DQF ratio can be used as a semi-quantitative measure of [Na]i in the mouse heart. We demonstrate a good correlation of this ratio with [Na]i measured with shift reagent at baseline and under conditions of elevated [Na]i. We compare the measurements of [Na]i using both shift reagent and TQF/DQF ratio in a cohort of wild type mouse hearts and in a transgenic PLM3SA mouse expressing a non-phosphorylatable form of phospholemman, showing a modest but measurable elevation of baseline [Na]i. MQF filtered 23Na NMR is a potentially useful tool for studying normal and pathophysiological changes in [Na]i, particularly in transgenic mouse models with altered Na regulation. PMID:26196304

  2. Assignment of the sup 1 H and sup 15 N NMR spectra of Rhodobacter capsulatus ferrocytochrome c sub 2

    SciTech Connect

    Gooley, P.R.; Caffrey, M.S.; Cusanovich, M.A.; MacKenzie, N.E. )

    1990-03-06

    The peptide resonances of the {sup 1}H and {sup 15}N nuclear magnetic resonance spectra of ferrocytochrome c{sub 2} from Rhodobacter capsulatus are sequentially assigned by a combination of 2D {sup 1}H-{sup 1}H and {sup 1}H-{sup 15}N spectroscopy, the latter performed on {sup 15}N-enriched protein. Short-range nuclear Overhauser effect (NOE) data show {alpha}-helices from residues 3-17, 55-65, 69-88, and 103-115. Within the latter two {alpha}-helices, there are three single 3{sub 10} turns, 70-72, 76-78, and 107-109. In addition {alpha}H-NH{sub i+1} and {alpha}H-NH{sub i+2} NOEs indicate that the N-terminal helix (3-17) is distorted. Compared to horse or tuna cytochrome c and cytochrome c{sub 2} of Rhodospirillium rubrum, there is a 6-residue insertion at residues 23-29 in R. capsulatus cytochrome c{sub 2}. The NOE data show that this insertion forms a loop, probably an {Omega} loop. {sup 1}H-{sup 15}N heteronuclear multiple quantum correlation experiments are used to follow NH exchange over a period of 40 h. As the 2D spectra are acquired in short time periods (30 min), rates for intermediate exchanging protons can be measured. Comparison of the NH exchange data for the N-terminal helix of cytochrome c{sub 2} of R. capsulatus with the highly homologous horse heart cytochrome c shows that this helix is less stable in cytochrome c{sub 2}.

  3. High efficiency InGaN/GaN light emitting diodes with asymmetric triangular multiple quantum wells

    SciTech Connect

    Chang, Chiao-Yun; Li, Hen; Lu, Tien-Chang

    2014-03-03

    In this study, we demonstrated high efficiency InGaN/GaN light emitting diodes (LEDs) with asymmetric triangular multiple quantum wells (MQWs). Asymmetric triangular MQWs not only contribute to uniform carrier distribution in InGaN/GaN MQWs but also yield a low Auger recombination rate. In addition, asymmetric triangular MQWs with gallium face-oriented inclination band profiles can be immune from the polarization charge originating from typical c-plane InGaN/GaN quantum well structures. In the experiment, LEDs incorporated with asymmetric triangular MQWs with gallium face-oriented inclination band profiles exhibited a 60.0% external quantum efficiency at 20 mA and a 27.0% efficiency droop at 100 mA (corresponding to a current density of 69 A/cm{sup 2}), which accounted for an 11.7% efficiency improvement and a 31.1% droop reduction compared with symmetric square quantum well structure LEDs.

  4. Simultaneous SU(2) rotations on multiple quantum dot exciton qubits using a single shaped pulse

    NASA Astrophysics Data System (ADS)

    Mathew, Reuble; Yang, Hong Yi Shi; Hall, Kimberley C.

    2015-10-01

    Recent experimental demonstration of a parallel (π ,2 π ) single qubit rotation on excitons in two distant quantum dots [Nano Lett. 13, 4666 (2013), 10.1021/nl4018176] is extended in numerical simulations to the design of pulses for more general quantum state control, demonstrating the feasibility of full SU(2) rotations of each exciton qubit. Our results show that simultaneous high-fidelity quantum control is achievable within the experimentally accessible parameter space for commercial Fourier-domain pulse shaping systems. The identification of a threshold of distinguishability for the two quantum dots (QDs) for achieving high-fidelity parallel rotations, corresponding to a difference in transition energies of ˜0.25 meV , points to the possibility of controlling more than 10 QDs with a single shaped optical pulse.

  5. Multiple Metamagnetic Quantum Criticality in Sr_{3}Ru_{2}O_{7}.

    PubMed

    Tokiwa, Y; Mchalwat, M; Perry, R S; Gegenwart, P

    2016-06-01

    Bilayer strontium ruthenate Sr_{3}Ru_{2}O_{7} displays pronounced non-Fermi liquid behavior at magnetic fields around 8 T, applied perpendicular to the ruthenate planes, which previously has been associated with an itinerant metamagnetic quantum critical end point (QCEP). We focus on the magnetic Grüneisen parameter Γ_{H}, which is the most direct probe to characterize field-induced quantum criticality. We confirm quantum critical scaling due to a putative two-dimensional QCEP near 7.845(5) T, which is masked by two ordered phases A and B, identified previously by neutron scattering. In addition, we find evidence for a QCEP at 7.53(2) T and determine the quantum critical regimes of both instabilities and the effect of their superposition. PMID:27314732

  6. Enhanced Y1H Assays for Arabidopis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Transcription regulation plays a key role in development and response to environment. To understand this mechanism, we need to know which transcription factor (TFs) would bind to which promoter, thus regulate their target gene expression. Yeast one-hybrid (Y1H) technique can be used to map this kind...

  7. Optically controlled reflection modulator using GaAs-AlGaAs n-i-p-i/multiple-quantum-well structures

    NASA Technical Reports Server (NTRS)

    Law, K.-K.; Simes, R. J.; Coldren, L. A.; Gossard, A. C.; Maserjian, J.

    1989-01-01

    An optically controlled reflection modulator has been demonstrated that consists of a combination of a GaAs-AlGaAs n-i-p-i doping structure with a multiple-quantum-well structures on top of a distributed Bragg reflector, all grown by MBE. A modulation of approximately 60 percent is obtained on the test structure, corresponding to a differential change of absorption coefficient in the quantum wells of approximately 7500/cm. Changes in reflectance can be observed with a control beam power as low as 1.5 microW. This device structure has the potential of being developed as an optically addressed spatial light modulator for optical information processing.

  8. Stimulated emission at 288 nm from silicon-doped AlGaN-based multiple-quantum-well laser.

    PubMed

    Tian, Yingdong; Yan, Jianchang; Zhang, Yun; Chen, Xiang; Guo, Yanan; Cong, Peipei; Sun, Lili; Wang, Qinjin; Guo, Enqing; Wei, Xuecheng; Wang, Junxi; Li, Jinmin

    2015-05-01

    We demonstrated stimulated emission at 288 nm from a silicon-doped AlGaN-based multiple-quantum-well (MQW) ultraviolet (UV) laser grown on sapphire. The optical pumping threshold energy density of the UV laser was 64 mJ/cm2, while lasing behavior was not observed in undoped AlGaN MQWs. This means silicon doping could effectively reduce the lasing threshold of UV lasers, and the mechanism was studied showing that the silicon-doped AlGaN MQWs had a 41% higher internal quantum efficiency (IQE) compared with the undoped one. The transmission electron microscopy characterization showed that silicon doping explicitly improved the crystallographic quality of MQWs. Calculation of the polarization charge in the MQWs further revealed that the advantage of better structure quality outweighed the reduction of internal polarization field by Si doping for the IQE enhancement and successful stimulated emission.

  9. Storage and retrieval of vector beams of light in a multiple-degree-of-freedom quantum memory

    PubMed Central

    Parigi, Valentina; D'Ambrosio, Vincenzo; Arnold, Christophe; Marrucci, Lorenzo; Sciarrino, Fabio; Laurat, Julien

    2015-01-01

    The full structuration of light in the transverse plane, including intensity, phase and polarization, holds the promise of unprecedented capabilities for applications in classical optics as well as in quantum optics and information sciences. Harnessing special topologies can lead to enhanced focusing, data multiplexing or advanced sensing and metrology. Here we experimentally demonstrate the storage of such spatio-polarization-patterned beams into an optical memory. A set of vectorial vortex modes is generated via liquid crystal cell with topological charge in the optic axis distribution, and preservation of the phase and polarization singularities is demonstrated after retrieval, at the single-photon level. The realized multiple-degree-of-freedom memory can find applications in classical data processing but also in quantum network scenarios where structured states have been shown to provide promising attributes, such as rotational invariance. PMID:26166257

  10. Ultrafast differential transmission spectroscopy of excitonic transitions in InGaN/GaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Chen, Fei; Cheung, M. C.; Sweeney, Paul M.; Kirkey, W. D.; Furis, M.; Cartwright, A. N.

    2003-04-01

    Room-temperature carrier dynamics in InGaN/GaN multiple quantum wells are studied by employing ultrafast pump-probe spectroscopy. Specifically, the observed differential spectral signatures are characteristic of changes in the absorption coefficient through both a reduction of the quantum-confined Stark shift due to the photoinduced in-well field screening (low carrier densities) and excitonic absorption quenching (high carrier densities). The comparison of the differential absorption spectra at different injected carrier densities allows us to separate field screening from excitonic bleaching. The estimated in-well field at the transition point between field screening and excitonic bleaching is consistent with the theoretical value of the piezoelectric field in the strained InGaN well.

  11. High internal quantum efficiency in AlGaN multiple quantum wells grown on bulk AlN substrates

    SciTech Connect

    Bryan, Zachary Bryan, Isaac; Sitar, Zlatko; Collazo, Ramón; Xie, Jinqiao; Mita, Seiji

    2015-04-06

    The internal quantum efficiency (IQE) of Al{sub 0.55}Ga{sub 0.45}N/AlN and Al{sub 0.55}Ga{sub 0.45}N/Al{sub 0.85}Ga{sub 0.15}N UVC MQW structures was analyzed. The use of bulk AlN substrates enabled us to undoubtedly distinguish the effect of growth conditions, such as V/III ratio, on the optical quality of AlGaN based MQWs from the influence of dislocations. At a high V/III ratio, a record high IQE of ∼80% at a carrier density of 10{sup 18 }cm{sup −3} was achieved at ∼258 nm. The high IQE was correlated with the decrease of the non-radiative coefficient A and a reduction of midgap defect luminescence, all suggesting that, in addition to dislocations, point defects are another major factor that strongly influences optical quality of AlGaN MQW structures.

  12. Spatial search by continuous-time quantum walk with multiple marked vertices

    NASA Astrophysics Data System (ADS)

    Wong, Thomas G.

    2016-04-01

    In the typical spatial search problems solved by continuous-time quantum walk, changing the location of the marked vertices does not alter the search problem. In this paper, we consider search when this is no longer true. In particular, we analytically solve search on the "simplex of K_M complete graphs" with all configurations of two marked vertices, two configurations of M+1 marked vertices, and two configurations of 2(M+1) marked vertices, showing that the location of the marked vertices can dramatically influence the required jumping rate of the quantum walk, such that using the wrong configuration's value can cause the search to fail. This sensitivity to the jumping rate is an issue unique to continuous-time quantum walks that does not affect discrete-time ones.

  13. Effects of quantum well growth temperature on the recombination efficiency of InGaN/GaN multiple quantum wells that emit in the green and blue spectral regions

    SciTech Connect

    Hammersley, S.; Dawson, P.; Kappers, M. J.; Massabuau, F. C.-P.; Sahonta, S.-L.; Oliver, R. A.; Humphreys, C. J.

    2015-09-28

    InGaN-based light emitting diodes and multiple quantum wells designed to emit in the green spectral region exhibit, in general, lower internal quantum efficiencies than their blue-emitting counter parts, a phenomenon referred to as the “green gap.” One of the main differences between green-emitting and blue-emitting samples is that the quantum well growth temperature is lower for structures designed to emit at longer wavelengths, in order to reduce the effects of In desorption. In this paper, we report on the impact of the quantum well growth temperature on the optical properties of InGaN/GaN multiple quantum wells designed to emit at 460 nm and 530 nm. It was found that for both sets of samples increasing the temperature at which the InGaN quantum well was grown, while maintaining the same indium composition, led to an increase in the internal quantum efficiency measured at 300 K. These increases in internal quantum efficiency are shown to be due reductions in the non-radiative recombination rate which we attribute to reductions in point defect incorporation.

  14. Quantum Darwinism

    SciTech Connect

    Zurek, Wojciech H

    2008-01-01

    Quantum Darwinism - proliferation, in the environment, of multiple records of selected states of the system (its information-theoretic progeny) - explains how quantum fragility of individual state can lead to classical robustness of their multitude.

  15. Generating free charges by carrier multiplication in quantum dots for highly efficient photovoltaics.

    PubMed

    Ten Cate, Sybren; Sandeep, C S Suchand; Liu, Yao; Law, Matt; Kinge, Sachin; Houtepen, Arjan J; Schins, Juleon M; Siebbeles, Laurens D A

    2015-02-17

    CONSPECTUS: In a conventional photovoltaic device (solar cell or photodiode) photons are absorbed in a bulk semiconductor layer, leading to excitation of an electron from a valence band to a conduction band. Directly after photoexcitation, the hole in the valence band and the electron in the conduction band have excess energy given by the difference between the photon energy and the semiconductor band gap. In a bulk semiconductor, the initially hot charges rapidly lose their excess energy as heat. This heat loss is the main reason that the theoretical efficiency of a conventional solar cell is limited to the Shockley-Queisser limit of ∼33%. The efficiency of a photovoltaic device can be increased if the excess energy is utilized to excite additional electrons across the band gap. A sufficiently hot charge can produce an electron-hole pair by Coulomb scattering on a valence electron. This process of carrier multiplication (CM) leads to formation of two or more electron-hole pairs for the absorption of one photon. In bulk semiconductors such as silicon, the energetic threshold for CM is too high to be of practical use. However, CM in nanometer sized semiconductor quantum dots (QDs) offers prospects for exploitation in photovoltaics. CM leads to formation of two or more electron-hole pairs that are initially in close proximity. For photovoltaic applications, these charges must escape from recombination. This Account outlines our recent progress in the generation of free mobile charges that result from CM in QDs. Studies of charge carrier photogeneration and mobility were carried out using (ultrafast) time-resolved laser techniques with optical or ac conductivity detection. We found that charges can be extracted from photoexcited PbS QDs by bringing them into contact with organic electron and hole accepting materials. However, charge localization on the QD produces a strong Coulomb attraction to its counter charge in the organic material. This limits the production

  16. Generating free charges by carrier multiplication in quantum dots for highly efficient photovoltaics.

    PubMed

    Ten Cate, Sybren; Sandeep, C S Suchand; Liu, Yao; Law, Matt; Kinge, Sachin; Houtepen, Arjan J; Schins, Juleon M; Siebbeles, Laurens D A

    2015-02-17

    CONSPECTUS: In a conventional photovoltaic device (solar cell or photodiode) photons are absorbed in a bulk semiconductor layer, leading to excitation of an electron from a valence band to a conduction band. Directly after photoexcitation, the hole in the valence band and the electron in the conduction band have excess energy given by the difference between the photon energy and the semiconductor band gap. In a bulk semiconductor, the initially hot charges rapidly lose their excess energy as heat. This heat loss is the main reason that the theoretical efficiency of a conventional solar cell is limited to the Shockley-Queisser limit of ∼33%. The efficiency of a photovoltaic device can be increased if the excess energy is utilized to excite additional electrons across the band gap. A sufficiently hot charge can produce an electron-hole pair by Coulomb scattering on a valence electron. This process of carrier multiplication (CM) leads to formation of two or more electron-hole pairs for the absorption of one photon. In bulk semiconductors such as silicon, the energetic threshold for CM is too high to be of practical use. However, CM in nanometer sized semiconductor quantum dots (QDs) offers prospects for exploitation in photovoltaics. CM leads to formation of two or more electron-hole pairs that are initially in close proximity. For photovoltaic applications, these charges must escape from recombination. This Account outlines our recent progress in the generation of free mobile charges that result from CM in QDs. Studies of charge carrier photogeneration and mobility were carried out using (ultrafast) time-resolved laser techniques with optical or ac conductivity detection. We found that charges can be extracted from photoexcited PbS QDs by bringing them into contact with organic electron and hole accepting materials. However, charge localization on the QD produces a strong Coulomb attraction to its counter charge in the organic material. This limits the production

  17. Carrier Localization Effects in InGaN/GaN Multiple-Quantum-Wells LED Nanowires: Luminescence Quantum Efficiency Improvement and “Negative” Thermal Activation Energy

    NASA Astrophysics Data System (ADS)

    Bao, Wei; Su, Zhicheng; Zheng, Changcheng; Ning, Jiqiang; Xu, Shijie

    2016-09-01

    Two-dimensional InGaN/GaN multiple-quantum-wells (MQW) LED structure was nanotextured into quasi-one-dimensional nanowires (NWs) with different average diameters with a combination approach of Ni nanoislands as mask + dry etching. Such nanotexturing bring out several appealing effects including deeper localization of carriers and significant improvement in quantum efficiency (e.g., from 4.76% of the planar MQW structure to 12.5% of the 160 nm MQW NWs) of light emission in the whole interested temperature range from 4 K to 300 K. With the aid of localized-state ensemble (LSE) luminescence model, the photoluminescence spectra of the samples are quantitatively interpreted in the entire temperature range. In terms of distinctive temperature dependence of photoluminescence from these samples, a concept of “negative” thermal activation energy is tentatively proposed for the MQW NWs samples. These findings could lead to a deeper insight into the physical nature of localization and luminescence mechanism of excitons in InGaN/GaN nanowires.

  18. Carrier Localization Effects in InGaN/GaN Multiple-Quantum-Wells LED Nanowires: Luminescence Quantum Efficiency Improvement and “Negative” Thermal Activation Energy

    PubMed Central

    Bao, Wei; Su, Zhicheng; Zheng, Changcheng; Ning, Jiqiang; Xu, Shijie

    2016-01-01

    Two-dimensional InGaN/GaN multiple-quantum-wells (MQW) LED structure was nanotextured into quasi-one-dimensional nanowires (NWs) with different average diameters with a combination approach of Ni nanoislands as mask + dry etching. Such nanotexturing bring out several appealing effects including deeper localization of carriers and significant improvement in quantum efficiency (e.g., from 4.76% of the planar MQW structure to 12.5% of the 160 nm MQW NWs) of light emission in the whole interested temperature range from 4 K to 300 K. With the aid of localized-state ensemble (LSE) luminescence model, the photoluminescence spectra of the samples are quantitatively interpreted in the entire temperature range. In terms of distinctive temperature dependence of photoluminescence from these samples, a concept of “negative” thermal activation energy is tentatively proposed for the MQW NWs samples. These findings could lead to a deeper insight into the physical nature of localization and luminescence mechanism of excitons in InGaN/GaN nanowires. PMID:27686154

  19. Molecularly Engineered Organic-Inorganic Hybrid Perovskite with Multiple Quantum Well Structure for Multicolored Light-Emitting Diodes.

    PubMed

    Hu, Hongwei; Salim, Teddy; Chen, Bingbing; Lam, Yeng Ming

    2016-01-01

    Organic-inorganic hybrid perovskites have the potential to be used as a new class of emitters with tunable emission, high color purity and good ease of fabrication. Recent studies have so far been focused on three-dimensional (3D) perovskites, such as CH3NH3PbBr3 and CH3NH3PbI3 for green and infrared emission. Here, we explore a new series of hybrid perovskite emitters with a general formula of (C4H9NH3)2(CH3NH3)n-1PbnI3n+1 (where n = 1, 2, 3), which possesses a multiple quantum well structure. The quantum well thickness of these materials is adjustable through simple molecular engineering which results in a continuously tunable bandgap and emission spectra. Deep saturated red emission was obtained with a peak external quantum efficiency of 2.29% and a maximum luminance of 214 cd/m(2). Green and blue LEDs were also demonstrated through halogen substitutions in these hybrid perovskites. We expect these results to open up the way towards high performance perovskite LEDs through molecular-structure engineering of these perovskite emitters. PMID:27633084

  20. Molecularly Engineered Organic-Inorganic Hybrid Perovskite with Multiple Quantum Well Structure for Multicolored Light-Emitting Diodes

    PubMed Central

    Hu, Hongwei; Salim, Teddy; Chen, Bingbing; Lam, Yeng Ming

    2016-01-01

    Organic-inorganic hybrid perovskites have the potential to be used as a new class of emitters with tunable emission, high color purity and good ease of fabrication. Recent studies have so far been focused on three-dimensional (3D) perovskites, such as CH3NH3PbBr3 and CH3NH3PbI3 for green and infrared emission. Here, we explore a new series of hybrid perovskite emitters with a general formula of (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 (where n = 1, 2, 3), which possesses a multiple quantum well structure. The quantum well thickness of these materials is adjustable through simple molecular engineering which results in a continuously tunable bandgap and emission spectra. Deep saturated red emission was obtained with a peak external quantum efficiency of 2.29% and a maximum luminance of 214 cd/m2. Green and blue LEDs were also demonstrated through halogen substitutions in these hybrid perovskites. We expect these results to open up the way towards high performance perovskite LEDs through molecular-structure engineering of these perovskite emitters. PMID:27633084

  1. Molecularly Engineered Organic-Inorganic Hybrid Perovskite with Multiple Quantum Well Structure for Multicolored Light-Emitting Diodes

    NASA Astrophysics Data System (ADS)

    Hu, Hongwei; Salim, Teddy; Chen, Bingbing; Lam, Yeng Ming

    2016-09-01

    Organic-inorganic hybrid perovskites have the potential to be used as a new class of emitters with tunable emission, high color purity and good ease of fabrication. Recent studies have so far been focused on three-dimensional (3D) perovskites, such as CH3NH3PbBr3 and CH3NH3PbI3 for green and infrared emission. Here, we explore a new series of hybrid perovskite emitters with a general formula of (C4H9NH3)2(CH3NH3)n‑1PbnI3n+1 (where n = 1, 2, 3), which possesses a multiple quantum well structure. The quantum well thickness of these materials is adjustable through simple molecular engineering which results in a continuously tunable bandgap and emission spectra. Deep saturated red emission was obtained with a peak external quantum efficiency of 2.29% and a maximum luminance of 214 cd/m2. Green and blue LEDs were also demonstrated through halogen substitutions in these hybrid perovskites. We expect these results to open up the way towards high performance perovskite LEDs through molecular-structure engineering of these perovskite emitters.

  2. Molecularly Engineered Organic-Inorganic Hybrid Perovskite with Multiple Quantum Well Structure for Multicolored Light-Emitting Diodes.

    PubMed

    Hu, Hongwei; Salim, Teddy; Chen, Bingbing; Lam, Yeng Ming

    2016-09-16

    Organic-inorganic hybrid perovskites have the potential to be used as a new class of emitters with tunable emission, high color purity and good ease of fabrication. Recent studies have so far been focused on three-dimensional (3D) perovskites, such as CH3NH3PbBr3 and CH3NH3PbI3 for green and infrared emission. Here, we explore a new series of hybrid perovskite emitters with a general formula of (C4H9NH3)2(CH3NH3)n-1PbnI3n+1 (where n = 1, 2, 3), which possesses a multiple quantum well structure. The quantum well thickness of these materials is adjustable through simple molecular engineering which results in a continuously tunable bandgap and emission spectra. Deep saturated red emission was obtained with a peak external quantum efficiency of 2.29% and a maximum luminance of 214 cd/m(2). Green and blue LEDs were also demonstrated through halogen substitutions in these hybrid perovskites. We expect these results to open up the way towards high performance perovskite LEDs through molecular-structure engineering of these perovskite emitters.

  3. Use of external cavity quantum cascade laser compliance voltage in real-time trace gas sensing of multiple chemicals

    NASA Astrophysics Data System (ADS)

    Phillips, Mark C.; Taubman, Matthew S.; Kriesel, Jason

    2015-01-01

    We describe a prototype trace gas sensor designed for real-time detection of multiple chemicals. The sensor uses an external cavity quantum cascade laser (ECQCL) swept over its tuning range of 940-1075 cm-1 (9.30-10.7 μm) at a 10 Hz repetition rate. The sensor was designed for operation in multiple modes, including gas sensing within a multi-pass Heriott cell and intracavity absorption sensing using the ECQCL compliance voltage. In addition, the ECQCL compliance voltage was used to reduce effects of long-term drifts in the ECQCL output power. The sensor was characterized for noise, drift, and detection of chemicals including ammonia, methanol, ethanol, isopropanol, Freon- 134a, Freon-152a, and diisopropyl methylphosphonate (DIMP). We also present use of the sensor for mobile detection of ammonia downwind of cattle facilities, in which concentrations were recorded at 1-s intervals.

  4. Very high efficiency photovoltaic cells based on fully organic multiple quantum wells. Quarterly technical progress report, 15 February 1995--15 May 1995

    SciTech Connect

    Forrest, S R

    1997-03-01

    The principal project objective is to demonstrate relatively high solar conversion efficiency using extremely low-cost, thin-film technology based on crystalline organic multiple quantum well (MQW) photovoltaic cells. The authors base their work on recent observations both in the laboratory and elsewhere that have indicated the quantum efficiency of organic photoconductors based on vacuum-deposited thin films can be increased by at least two orders of magnitude (to at least 10%) if the organic films are grown in a highly ordered manner, and if organic multiple quantum wells are used in the absorption region. The authors are investigating the physical origin of this phenomenon, and they are growing thin-film MQW cells that demonstrate relatively high quantum efficiencies to determine the practicality of crystalline organic thin-film cells for solar power applications. The investigations are based on a unique, ultrahigh-vacuum organic molecular beam deposition system in the laboratory.

  5. Comparing multiple exciton generation in quantum dots to impact ionization in bulk semiconductors: implications for enhancement of solar energy conversion.

    PubMed

    Beard, Matthew C; Midgett, Aaron G; Hanna, Mark C; Luther, Joseph M; Hughes, Barbara K; Nozik, Arthur J

    2010-08-11

    Multiple exciton generation (MEG) in quantum dots (QDs) and impact ionization (II) in bulk semiconductors are processes that describe producing more than one electron-hole pair per absorbed photon. We derive expressions for the proper way to compare MEG in QDs with II in bulk semiconductors and argue that there are important differences in the photophysics between bulk semiconductors and QDs. Our analysis demonstrates that the fundamental unit of energy required to produce each electron-hole pair in a given QD is the band gap energy. We find that the efficiency of the multiplication process increases by at least 2 in PbSe QDs compared to bulk PbSe, while the competition between cooling and multiplication favors multiplication by a factor of 3 in QDs. We also demonstrate that power conversion efficiencies in QD solar cells exhibiting MEG can greatly exceed conversion efficiencies of their bulk counterparts, especially if the MEG threshold energy can be reduced toward twice the QD band gap energy, which requires a further increase in the MEG efficiency. Finally, we discuss the research challenges associated with achieving the maximum benefit of MEG in solar energy conversion since we show the threshold and efficiency are mathematically related.

  6. Comparing Multiple Exciton Generation in Quantum Dots To Impact Ionization in Bulk Semiconductors: Implications for Enhancement of Solar Energy Conversion

    SciTech Connect

    Beard, Matthew C.; Midgett, Aaron G.; Hanna, Mark C.; Luther, Joseph M.; Hughes, Barbara K.; Nozik, Arthur J.

    2010-07-26

    Multiple exciton generation (MEG) in quantum dots (QDs) and impact ionization (II) in bulk semiconductors are processes that describe producing more than one electron-hole pair per absorbed photon. We derive expressions for the proper way to compare MEG in QDs with II in bulk semiconductors and argue that there are important differences in the photophysics between bulk semiconductors and QDs. Our analysis demonstrates that the fundamental unit of energy required to produce each electron-hole pair in a given QD is the band gap energy. We find that the efficiency of the multiplication process increases by at least 2 in PbSe QDs compared to bulk PbSe, while the competition between cooling and multiplication favors multiplication by a factor of 3 in QDs. We also demonstrate that power conversion efficiencies in QD solar cells exhibiting MEG can greatly exceed conversion efficiencies of their bulk counterparts, especially if the MEG threshold energy can be reduced toward twice the QD band gap energy, which requires a further increase in the MEG efficiency. Finally, we discuss the research challenges associated with achieving the maximum benefit of MEG in solar energy conversion since we show the threshold and efficiency are mathematically related.

  7. B0 insensitive multiple-quantum resolved sodium imaging using a phase-rotation scheme

    NASA Astrophysics Data System (ADS)

    Fiege, Daniel P.; Romanzetti, Sandro; Tse, Desmond H. Y.; Brenner, Daniel; Celik, Avdo; Felder, Jörg; Jon Shah, N.

    2013-03-01

    Triple-quantum filtering has been suggested as a mechanism to differentiate signals from different physiological compartments. However, the filtering method is sensitive to static field inhomogeneities because different coherence pathways may interfere destructively. Previously suggested methods employed additional phase-cycles to separately acquire pathways. Whilst this removes the signal dropouts, it reduces the signal-to-noise per unit time. In this work we suggest the use of a phase-rotation scheme to simultaneously acquire all coherence pathways and then separate them via Fourier transform. Hence the method yields single-, double- and triple-quantum filtered images. The phase-rotation requires a minimum of 36 instead of six cycling steps. However, destructive interference is circumvented whilst maintaining full signal-to-noise efficiency for all coherences.

  8. Voltage tunable multiple quantum well distributed feedback filter with an electron beam written Schottky grating

    NASA Astrophysics Data System (ADS)

    Zia, O.; Bhattacharya, P. K.; Singh, J.; Brock, T.

    1994-08-01

    A novel optoelectronic filter voltage-tunable characteristics has been developed and implemented in a multiquantum well waveguide device. By virtue of the quantum-confined Stark effect, the refractive index in quantum wells at the periphery of a guiding region can be given a periodicity in the guiding direction by application of a bias on an electron-beam patterned Schottky grating atop the guide. If the period of the Schottky grating and associated index profile satisfies the Bragg condition, as in a resonant distributed feedback structure, band-reject filtering results. Aftering the bias on the Schottky grating changes the refractive index in the wells, thereby providing tunability of the wavelength at which Bragg diffraction occurs.

  9. On-chip photonic system using suspended p-n junction InGaN/GaN multiple quantum wells device and multiple waveguides

    NASA Astrophysics Data System (ADS)

    Wang, Yongjin; Zhu, Guixia; Cai, Wei; Gao, Xumin; Yang, Yongchao; Yuan, Jialei; Shi, Zheng; Zhu, Hongbo

    2016-04-01

    We propose, fabricate, and characterize the on-chip integration of suspended p-n junction InGaN/GaN multiple quantum wells (MQWs) device and multiple waveguides on the same GaN-on-silicon platform. The integrated devices are fabricated via a wafer-level process and exhibit selectable functionalities for diverse applications. As the suspended p-n junction InGaN/GaN MQWs device operates under a light emitting diode (LED) mode, part of the light emission is confined and guided by the suspended waveguides. The in-plane propagation along the suspended waveguides is measured by a micro-transmittance setup. The on-chip data transmission is demonstrated for the proof-of-concept photonic integration. As the suspended p-n junction InGaN/GaN MQWs device operates under photodiode mode, the light is illuminated on the suspended waveguides with the aid of the micro-transmittance setup and, thus, coupled into the suspended waveguides. The guided light is finally sensed by the photodiode, and the induced photocurrent trace shows a distinct on/off switching performance. These experimental results indicate that the on-chip photonic integration is promising for the development of sophisticated integrated photonic circuits in the visible wavelength region.

  10. Picture this: The value of multiple visual representations for student learning of quantum concepts in general chemistry

    NASA Astrophysics Data System (ADS)

    Allen, Emily Christine

    Mental models for scientific learning are often defined as, "cognitive tools situated between experiments and theories" (Duschl & Grandy, 2012). In learning, these cognitive tools are used to not only take in new information, but to help problem solve in new contexts. Nancy Nersessian (2008) describes a mental model as being "[loosely] characterized as a representation of a system with interactive parts with representations of those interactions. Models can be qualitative, quantitative, and/or simulative (mental, physical, computational)" (p. 63). If conceptual parts used by the students in science education are inaccurate, then the resulting model will not be useful. Students in college general chemistry courses are presented with multiple abstract topics and often struggle to fit these parts into complete models. This is especially true for topics that are founded on quantum concepts, such as atomic structure and molecular bonding taught in college general chemistry. The objectives of this study were focused on how students use visual tools introduced during instruction to reason with atomic and molecular structure, what misconceptions may be associated with these visual tools, and how visual modeling skills may be taught to support students' use of visual tools for reasoning. The research questions for this study follow from Gilbert's (2008) theory that experts use multiple representations when reasoning and modeling a system, and Kozma and Russell's (2005) theory of representational competence levels. This study finds that as students developed greater command of their understanding of abstract quantum concepts, they spontaneously provided additional representations to describe their more sophisticated models of atomic and molecular structure during interviews. This suggests that when visual modeling with multiple representations is taught, along with the limitations of the representations, it can assist students in the development of models for reasoning about

  11. Dynamic light-matter coupling across multiple spatial dimensions in a quantum dots-in-a-well heterostructure

    SciTech Connect

    Prasankumar, Rohit P; Taylor, Antoinette J

    2009-01-01

    Ultrafast density-dependent optical spectroscopic measurements on a quantum dots-in-a-well heterostructure reveal several distinctive phenomena, most notably a strong coupling between the quantum well population and light absorption at the quantum dot excited state.

  12. Finite-pulse radio frequency driven recoupling with phase cycling for 2D 1H/1H correlation at ultrafast MAS frequencies

    NASA Astrophysics Data System (ADS)

    Nishiyama, Yusuke; Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2014-06-01

    The first-order recoupling sequence radio frequency driven dipolar recoupling (RFDR) is commonly used in single-quantum/single-quantum homonuclear correlation 2D experiments under magic angle spinning (MAS) to determine homonuclear proximities. From previously reported analysis of the use of XY-based super-cycling schemes to enhance the efficiency of the finite-pulse-RFDR (fp-RFDR) pulse sequence, XY814 phase cycling was found to provide the optimum performance for 2D correlation experiments on low-γ nuclei. In this study, we analyze the efficiency of different phase cycling schemes for proton-based fp-RFDR experiments. We demonstrate the advantages of using a short phase cycle, XY4, and its super-cycle XY414 that only recouples the zero-quantum homonuclear dipolar coupling, for the fp-RFDR sequence in 2D 1H/1H correlation experiments at ultrafast MAS frequencies. The dipolar recoupling efficiencies of XY4, XY414 and XY814 phase cycling schemes are compared based on results obtained from 2D 1H/1H correlation experiments, utilizing the fp-RFDR pulse sequence, on powder samples of U-13C,15N-L-alanine, N-acetyl-15N-L-valyl-15N-L-leucine, and glycine. Experimental results and spin dynamics simulations show that XY414 performs the best when a high RF power is used for the 180° pulse, whereas XY4 renders the best performance when a low RF power is used. The effects of RF field inhomogeneity and chemical shift offsets are also examined. Overall, our results suggest that a combination of fp-RFDR-XY414 employed in the recycle delay with a large RF-field to decrease the recycle delay, and fp-RFDR-XY4 in the mixing period with a moderate RF-field, is a robust and efficient method for 2D single-quantum/single-quantum 1H/1H correlation experiments at ultrafast MAS frequencies.

  13. Multiphoton resonances for all-optical quantum logic with multiple cavities

    NASA Astrophysics Data System (ADS)

    Everitt, Mark S.; Garraway, Barry M.

    2014-07-01

    We develop a theory for the interaction of multilevel atoms with multimode cavities yielding cavity-enhanced multiphoton resonances. The locations of the resonances are predicted from the use of effective two- and three-level Hamiltonians. As an application we show that quantum gates can be realized when photonic qubits are encoded on the cavity modes in arrangements where ancilla atoms transit the cavity. The fidelity of operations is increased by conditional measurements on the atom and by the use of a selected, dual-rail, Hilbert space. A universal set of gates is proposed, including the Fredkin gate and iswap operation; the system seems promising for scalability.

  14. Understanding Data Analysis from Multiple Viewpoints: An Example from Quantum Tunneling

    NASA Astrophysics Data System (ADS)

    Wittmann, Michael C.; Morgan, Jeffrey T.

    2004-09-01

    During individual clinical interviews, the interaction between researcher and interviewee leads to a specific set of data that can later be interpreted from several viewpoints. In this paper, we describe three analyses of a student's reasoning. First, we describe her "physics reasoning" in terms of the physical situation she describes and the "difficulties" she has in reasoning about the interview question. Second, we describe some "reasoning resources" that she uses. Finally, we describe "epistemological resources" that may influence her reasoning about quantum physics. We conclude with a discussion of implications about the practice of interviews and their analysis.

  15. Shapiro steps observed in a dc superconducting quantum interference device with multiple junctions in each arm

    NASA Astrophysics Data System (ADS)

    Chen, L.; Chen, P.; Ong, C. K.

    2002-02-01

    A high-Tc dc superconducting quantum interference device (SQUID) with three Josephson junctions (JJs) in series in each of its arms has been fabricated. Its Shapiro steps were studied using microwave (rf) radiation of 10 GHz and weak magnetic fields. The appearance of giant Shapiro steps and of some of half-integer steps was observed. Separation between the adjacent Shapiro steps could be tuned by rf magnetic fields and small external dc magnetic fields. This phenomenon was analyzed by phase locking the JJs in the SQUID.

  16. Temperature dependent photoluminescence and micromapping of multiple stacks InAs quantum dots

    SciTech Connect

    Xu, Ming Jaffré, Alexandre Alvarez, José Kleider, Jean-Paul Boutchich, Mohamed; Jittrong, Apichat; Chokamnuai, Thitipong; Panyakeow, Somsak; Kanjanachuchai, Songphol

    2015-02-27

    We utilized temperature dependent photoluminescence (PL) techniques to investigate 1, 3 and 5 stack InGaAs quantum dots (QDs) grown on cross-hatch patterns. PL mapping can well reproduce the QDs distribution as AFM and position dependency of QD growth. It is possible to observe crystallographic dependent PL. The temperature dependent spectra exhibit the QDs energy distribution which reflects the size and shape. The inter-dot carrier coupling effect is observed and translated as a red shift of 120mV on the [1–10] direction peak is observed at 30K on 1 stack with regards to 3 stacks samples, which is assigned to lateral coupling.

  17. Stereospecificity of (1) H, (13) C and (15) N shielding constants in the isomers of methylglyoxal bisdimethylhydrazone: problem with configurational assignment based on (1) H chemical shifts.

    PubMed

    Afonin, Andrei V; Pavlov, Dmitry V; Ushakov, Igor A; Keiko, Natalia A

    2012-07-01

    In the (13) C NMR spectra of methylglyoxal bisdimethylhydrazone, the (13) C-5 signal is shifted to higher frequencies, while the (13) C-6 signal is shifted to lower frequencies on going from the EE to ZE isomer following the trend found previously. Surprisingly, the (1) H-6 chemical shift and (1) J(C-6,H-6) coupling constant are noticeably larger in the ZE isomer than in the EE isomer, although the configuration around the -CH═N- bond does not change. This paradox can be rationalized by the C-H⋯N intramolecular hydrogen bond in the ZE isomer, which is found from the quantum-chemical calculations including Bader's quantum theory of atoms in molecules analysis. This hydrogen bond results in the increase of δ((1) H-6) and (1) J(C-6,H-6) parameters. The effect of the C-H⋯N hydrogen bond on the (1) H shielding and one-bond (13) C-(1) H coupling complicates the configurational assignment of the considered compound because of these spectral parameters. The (1) H, (13) C and (15) N chemical shifts of the 2- and 8-(CH(3) )(2) N groups attached to the -C(CH(3) )═N- and -CH═N- moieties, respectively, reveal pronounced difference. The ab initio calculations show that the 8-(CH(3) )(2) N group conjugate effectively with the π-framework, and the 2-(CH(3) )(2) N group twisted out from the plane of the backbone and loses conjugation. As a result, the degree of charge transfer from the N-2- and N-8- nitrogen lone pairs to the π-framework varies, which affects the (1) H, (13) C and (15) N shieldings. PMID:22615146

  18. z-Spectra of 23Na + in stretched gels: Quantitative multiple quantum analysis

    NASA Astrophysics Data System (ADS)

    Chapman, Bogdan E.; Naumann, Christoph; Philp, David J.; Eliav, Uzi; Navon, Gil; Kuchel, Philip W.

    2010-08-01

    The 23Na NMR spectrum of NaCl in various stretched hydrogels displays a well-resolved triplet with the theoretically predicted relative intensities of the components of 3:4:3. Families of such spectra were obtained using partially-saturating radio-frequency (RF) radiation over a range of off-set frequencies; the resulting steady-state irradiation envelopes, or ' z-spectra', have the notable feature that marked suppression of the three peaks occurs when the irradiation is applied on any of them or exactly in the middle between the central peak and either of the two satellites. We present a quantum mechanical analysis that describes this phenomenon and show that it depends on double and triple quantum transitions. The physical-mathematical analysis is an extension of our quadrupolar case for HDO with 2H NMR. The experimental procedures and results have implications for enhancement of contrast in 23Na magnetic resonance imaging of heterogeneous systems using quadrupolar interactions.

  19. Three Temperature Regimes in Superconducting Photon Detectors: Quantum, Thermal and Multiple Phase-Slips as Generators of Dark Counts

    PubMed Central

    Murphy, Andrew; Semenov, Alexander; Korneev, Alexander; Korneeva, Yulia; Gol’tsman, Gregory; Bezryadin, Alexey

    2015-01-01

    We perform measurements of the switching current distributions of three w ≈ 120 nm wide, 4 nm thick NbN superconducting strips which are used for single-photon detectors. These strips are much wider than the diameter of the vortex cores, so they are classified as quasi-two-dimensional (quasi-2D). We discover evidence of macroscopic quantum tunneling by observing the saturation of the standard deviation of the switching distributions at temperatures around 2 K. We analyze our results using the Kurkijärvi-Garg model and find that the escape temperature also saturates at low temperatures, confirming that at sufficiently low temperatures, macroscopic quantum tunneling is possible in quasi-2D strips and can contribute to dark counts observed in single photon detectors. At the highest temperatures the system enters a multiple phase-slip regime. In this range single phase-slips are unable to produce dark counts and the fluctuations in the switching current are reduced. PMID:25988591

  20. Enhanced power conversion efficiency in InGaN-based solar cells via graded composition multiple quantum wells.

    PubMed

    Tsai, Yu-Lin; Wang, Sheng-Wen; Huang, Jhih-Kai; Hsu, Lung-Hsing; Chiu, Ching-Hsueh; Lee, Po-Tsung; Yu, Peichen; Lin, Chien-Chung; Kuo, Hao-Chung

    2015-11-30

    This work demonstrates the enhanced power conversion efficiency (PCE) in InGaN/GaN multiple quantum well (MQWs) solar cells with gradually decreasing indium composition in quantum wells (GQWs) toward p-GaN as absorber. The GQW can improve the fill factor from 42% to 62% and enhance the short current density from 0.8 mA/cm2 to 0.92 mA/cm2, as compares to the typical MQW solar cells. As a result, the PCE is boosted from 0.63% to 1.11% under AM1.5G illumination. Based on simulation and experimental results, the enhanced PCE can be attributed to the improved carrier collection in GQW caused by the reduction of potential barriers and piezoelectric polarization induced fields near the p-GaN layer. The presented concept paves a way toward highly efficient InGaN-based solar cells and other GaN-related MQW devices.

  1. Enhanced power conversion efficiency in InGaN-based solar cells via graded composition multiple quantum wells.

    PubMed

    Tsai, Yu-Lin; Wang, Sheng-Wen; Huang, Jhih-Kai; Hsu, Lung-Hsing; Chiu, Ching-Hsueh; Lee, Po-Tsung; Yu, Peichen; Lin, Chien-Chung; Kuo, Hao-Chung

    2015-11-30

    This work demonstrates the enhanced power conversion efficiency (PCE) in InGaN/GaN multiple quantum well (MQWs) solar cells with gradually decreasing indium composition in quantum wells (GQWs) toward p-GaN as absorber. The GQW can improve the fill factor from 42% to 62% and enhance the short current density from 0.8 mA/cm2 to 0.92 mA/cm2, as compares to the typical MQW solar cells. As a result, the PCE is boosted from 0.63% to 1.11% under AM1.5G illumination. Based on simulation and experimental results, the enhanced PCE can be attributed to the improved carrier collection in GQW caused by the reduction of potential barriers and piezoelectric polarization induced fields near the p-GaN layer. The presented concept paves a way toward highly efficient InGaN-based solar cells and other GaN-related MQW devices. PMID:26698792

  2. Piezoelectric Effects on the Optical Properties of GaN/Al(x)Ga(1-x)N Multiple Quantum Wells

    SciTech Connect

    Botchkarev, A.; Chow, W.W.; Jiang, H.X.; Kim, H.S.; Lin, J.Y.; Morkoc, H.

    1998-11-10

    Piezoelectric effects on the optical properties of GaN/AlGaN multiple quantum wells (MQWS) have been investigated by picosecond time-resolved photoluminescence (PL) measurements. For MQWS with well thickness 30 and 40 the excitonic transition peak positions at 10 K in continuous wave (CW) spectra are red-shifted with respect to the GaN epilayer by 17 meV and 57 meV, respectively. The time-resolved PL spectra of the 30 and 40 well MQWS reveal that the excitonic transition is in fact blue-shifted at early delay times due to quantum confinement of carriers. The spectral peak position shifts toward lower energies as the delay time increases and becomes red-shifted at longer delay times. We have demonstrated that the results described above is due to the presence of the piezoelectric field in the GaN wells of GaN/AlGaN MQWS subject to elastic strain together with screening of the photoexcited carriers. By comparing experimental and calculation results, we conclude that the piezoelectric field strength in GaN/Al.15G~.85N MQWS has a lower limit value of about 560 kV/cm: The electron and hole wave function distributions have also been obtained. The implication of our findings on the practical applications of GaN based optoelectronic devices is also discussed.

  3. Nonlinear absorption properties of AlGaAs/GaAs multiple quantum wells grown by metalorganic chemical vapor deposition

    NASA Technical Reports Server (NTRS)

    Lee, Hsing-Chung; Kost, A.; Kawase, M.; Hariz, A.; Dapkus, P. Daniel

    1988-01-01

    The nonlinear absorption properties of the excitonic resonances associated with multiple quantum wells (MQWs) in AlGaAs/GaAs grown by metalorganic chemical vapor deposition are reported. The dependence of the saturation properties on growth parameters, especially growth temperature, and the well width are described. The minimum measured saturation intensity for these materials is 250 W/sq cm, the lowest reported value to date. The low saturation intensities are the result of excellent minority carrier properties. A systematic study of minority carrier lifetimes in quantum wells are reported. Lifetimes range from 50-350 ns depending on growth temperature and well width. When corrected for lateral diffusion effects and the measured minority carrier lifetime, the saturation data suggest that saturation intensities as low as 2.3 W/sq cm can be achieved in this system. The first measurements of the dependence of the exciton area and the magnitude of the excitonic absorption on well width are prsented. The growth of MQW structures on transparent GaP substrates is demonstrated and the electroabsorption properties of these structures are reviewed.

  4. Multiple environment single system quantum mechanical/molecular mechanical (MESS-QM/MM) calculations. 1. Estimation of polarization energies.

    PubMed

    Sodt, Alexander J; Mei, Ye; König, Gerhard; Tao, Peng; Steele, Ryan P; Brooks, Bernard R; Shao, Yihan

    2015-03-01

    In combined quantum mechanical/molecular mechanical (QM/MM) free energy calculations, it is often advantageous to have a frozen geometry for the quantum mechanical (QM) region. For such multiple-environment single-system (MESS) cases, two schemes are proposed here for estimating the polarization energy: the first scheme, termed MESS-E, involves a Roothaan step extrapolation of the self-consistent field (SCF) energy; whereas the other scheme, termed MESS-H, employs a Newton-Raphson correction using an approximate inverse electronic Hessian of the QM region (which is constructed only once). Both schemes are extremely efficient, because the expensive Fock updates and SCF iterations in standard QM/MM calculations are completely avoided at each configuration. They produce reasonably accurate QM/MM polarization energies: MESS-E can predict the polarization energy within 0.25 kcal/mol in terms of the mean signed error for two of our test cases, solvated methanol and solvated β-alanine, using the M06-2X or ωB97X-D functionals; MESS-H can reproduce the polarization energy within 0.2 kcal/mol for these two cases and for the oxyluciferin-luciferase complex, if the approximate inverse electronic Hessians are constructed with sufficient accuracy.

  5. Integrated p-n junction InGaN/GaN multiple-quantum-well devices with diverse functionalities

    NASA Astrophysics Data System (ADS)

    Cai, Wei; Gao, Xumin; Yuan, Wei; Yang, Yongchao; Yuan, Jialei; Zhu, Hongbo; Wang, Yongjin

    2016-05-01

    We propose, fabricate, and demonstrate integrated p-n junction InGaN/GaN multiple-quantum-well devices with diverse functionalities on a GaN-on-silicon platform. Suspended devices with a common n-contact are realized using a wafer-level process. For the integrated devices, part of the light emitted by a light-emitting diode (LED) is guided in-plane through a suspended waveguide and is sensed by another photodiode. The induced photocurrent is tuned by the LED. The integrated devices can act as two independent LEDs to deliver different signals simultaneously for free-space visible light communication. Furthermore, the suspended devices can be used as two separate photodiodes to detect incident light with a distinct on/off switching performance.

  6. Optical bistability and multistability in a defect slab doped by GaAs/AlGaAs multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Seyyed, Hossein Asadpour; G, Solookinejad; M, Panahi; E Ahmadi, Sangachin

    2016-05-01

    We proposed a new model for controlling the optical bistability (OB) and optical multistability (OM) in a defect slab doped with four-level GaAs/AlGaAs multiple quantum wells with 15 periods of 17.5 nm GaAs wells and 15-nm Al0.3 Ga0.7As barriers. The effects of biexciton energy renormalization, exciton spin relaxation, and thickness of the slab on the OB and OM properties of the defect slab were theoretically investigated. We found that the transition from OB to OM or vice versa is possible by adjusting the controllable parameters in a lab. Moreover, the transmission, reflection, and absorption properties of the weak probe light through the slab were also discussed in detail.

  7. Atmospheric-pressure epitaxial growth technique of a multiple quantum well by mist chemical vapor deposition based on Leidenfrost droplets

    NASA Astrophysics Data System (ADS)

    Kawaharamura, Toshiyuki; Dang, Giang T.; Nitta, Noriko

    2016-10-01

    A multiple quantum well α-Fe2O3/α-Ga2O3 with parallel and coherent formation of uniform and highly single-crystalline layers on a sapphire substrate has been fabricated by open-air atmospheric-pressure solution-processed mist chemical vapor deposition (Mist CVD). This report demonstrates that complicated structures with atomic-level control can be fabricated even in non-vacuum conditions by the Mist CVD. This can be achieved via the precise control of the precursor flow and ambient temperature combined with the formation of mist droplets of the special Leidenfrost state, which increased the atomic migration length by 108 times more than that of traditional vacuum techniques. This work could be a milestone in the transformation from vacuum to non-vacuum thin film deposition techniques towards a green and sustainable industry.

  8. Imaging of multiple mRNA targets using quantum dot based in situ hybridization and spectral deconvolution in clinical biopsies

    SciTech Connect

    Tholouli, Eleni; Hoyland, Judith A.; Di Vizio, Dolores; O'Connell, Fionnuala; MacDermott, Sarah A.; Twomey, David; Levenson, Richard; Yin, John A. Liu; Golub, Todd R.; Loda, Massimo; Byers, Richard . E-mail: r.byers@manchester.ac.uk

    2006-09-22

    Gene expression mapping using microarray analysis has identified useful gene signatures for predicting outcome. However, little of this has been translated into clinically effective diagnostic tools as microarrays require high quality fresh-frozen tissue samples. We describe a methodology of multiplexed in situ hybridization (ISH) using a novel combination of quantum dot (QD)-labeled oligonucleotide probes and spectral imaging analysis in routinely processed, formalin-fixed paraffin embedded human biopsies. The conditions for QD-ISH were optimized using a poly d(T) oligonucleotide in decalcified bone marrow samples. Single and multiplex QD-ISH was performed in samples with acute leukemia and follicular lymphoma using oligonucleotide probes for myeloperoxidase, bcl-2, survivin, and XIAP. Spectral imaging was used for post hybridization tissue analysis, enabling separation of spatially colocalized signals. The method allows quantitative characterization of multiple gene expression using non-bleaching fluorochromes. This is expected to facilitate multiplex in situ transcript detection in routinely processed human clinical tissue.

  9. Lamb wave acousto-optic modulator in ZnO/MgO multiple quantum wells and comparison with classical modulator.

    PubMed

    Gryba, T; Lefebvre, J-E; Elmaimouni, L; Ratolojanahary, F E

    2015-10-10

    An analysis of a ZnO/MgO multiple quantum well (MQW) acousto-optic modulator with Lamb waves is performed. With the MQW thickness in the range of 0.2 times the Lamb wavelength, the only observed Lamb modes are the lowest-order symmetric S0 and antisymmetric A0 modes. These modes induce strain and electric field components which influence the absorption coefficient of the modulator by the associated variation of the excitonic energies of MQW. The optical absorption coefficient spectra of the modulator as a function of the Lamb waves' power is presented. The Lamb-wave-based modulator gives a better absorption coefficient than the Rayleigh-wave-based one. An analysis of a classical acousto-optic modulator is also performed for comparison of performance. PMID:26479819

  10. A learner's multiple views of the connection between mathematics and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Dini, Vesal; Hammer, David

    Students' physical intuitions and prior knowledge are critical to making sense of and solving problems in classical mechanics. In quantum mechanics (qm), coordinating concepts connected to such everyday thinking becomes more difficult. How then can students develop coherence in their knowledge of qm? Consider how experts do it: they build meaning in, around, and through the mathematics of the theory. This view on the role of mathematics, which is one of among many possible to take, seems most productive for qm. In our work to characterize student views of knowledge that emerge in the context of qm coursework, we came to analyze one student who mostly adopted such a view until a shift in context moved him to express an alternative. We present his case and discuss important implications for instruction.

  11. Frequency up-conversion in nonpolar a-plane GaN/AlGaN based multiple quantum wells optimized for applications with silicon solar cells

    SciTech Connect

    Radosavljević, S.; Radovanović, J. Milanović, V.; Tomić, S.

    2014-07-21

    We have described a method for structural parameters optimization of GaN/AlGaN multiple quantum well based up-converter for silicon solar cells. It involves a systematic tuning of individual step quantum wells by use of the genetic algorithm for global optimization. In quantum well structures, the up-conversion process can be achieved by utilizing nonlinear optical effects based on intersubband transitions. Both single and double step quantum wells have been tested in order to maximize the second order susceptibility derived from the density matrix formalism. The results obtained for single step wells proved slightly better and have been further pursued to obtain a more complex design, optimized for conversion of an entire range of incident photon energies.

  12. A different approach to multiplicity-edited heteronuclear single quantum correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Sakhaii, Peyman; Bermel, Wolfgang

    2015-10-01

    A new experiment for recording multiplicity-edited HSQC spectra is presented. In standard multiplicity-edited HSQC experiments, the amplitude of CH2 signals is negative compared to those of CH and CH3 groups. We propose to reverse the sign of 13C frequencies of CH2 groups in t1 as criteria for editing. Basically, a modified [BIRD]r,x element (Bilinear Rotation Pulses and Delays) is inserted in a standard HSQC pulse sequence with States-TPPI frequency detection in t1 for this purpose. The modified BIRD element was designed in such a way as to pass or stop the evolution of the heteronuclear 1JHC coupling. This is achieved by adding a 180° proton RF pulse in each of the 1/2J periods. Depending on their position the evolution is switched on or off. Usually, the BIRD- element is applied on real and imaginary increments of a HSQC experiment to achieve the editing between multiplicities. Here, we restrict the application of the modified BIRD element to either real or imaginary increments of the HSQC. With this new scheme for editing, changing the frequency and/or amplitude of the CH2 signals becomes available. Reversing the chemical shift axis for CH2 signals simplifies overcrowded frequency regions and thus avoids accidental signal cancellation in conventional edited HSQC experiments. The practical implementation is demonstrated on the protein Lysozyme. Advantages and limitations of the idea are discussed.

  13. Multicolor Quantum Dot-Based Chemical Nose for Rapid and Array-Free Differentiation of Multiple Proteins.

    PubMed

    Xu, Qinfeng; Zhang, Yihong; Tang, Bo; Zhang, Chun-yang

    2016-02-16

    Nanomaterial-based differential sensors (e.g., chemical nose) have shown great potential for identification of multiple proteins because of their modulatable recognition and transduction capability but with the limitation of array separation, single-channel read-out, and long incubation time. Here, we develop a multicolor quantum dot (QD)-based multichannel sensing platform for rapid identification of multiple proteins in an array-free format within 1 min. A protein-binding dye of bromophenol blue (BPB) is explored as an efficient reversible quencher of QDs, and the mixture of BPB with multicolor QDs may generate the quenched QD-BPB complexes. The addition of proteins will disrupt the QD-BPB complexes as a result of the competitive protein-BPB binding, inducing the separation of BPB from the QDs and the generation of distinct fluorescence patterns. The multicolor patterns may be collected at a single-wavelength excitation and differentiated by a linear discriminant analysis (LDA). This multichannel sensing platform allows for the discrimination of ten proteins and seven cell lines with the fastest response rate reported to date, holding great promise for rapid and high-throughput medical diagnostics. PMID:26759896

  14. On-chip integration of suspended InGaN/GaN multiple-quantum-well devices with versatile functionalities.

    PubMed

    Cai, Wei; Yang, Yongchao; Gao, Xumin; Yuan, Jialei; Yuan, Wei; Zhu, Hongbo; Wang, Yongjin

    2016-03-21

    We propose, fabricate and demonstrate on-chip photonic integration of suspended InGaN/GaN multiple quantum wells (MQWs) devices on the GaN-on-silicon platform. Both silicon removal and back wafer etching are conducted to obtain membrane-type devices, and suspended waveguides are used for the connection between p-n junction InGaN/GaN MQWs devices. As an in-plane data transmission system, the middle p-n junction InGaN/GaN MQWs device is used as a light emitting diode (LED) to deliver signals by modulating the intensity of the emitted light, and the other two devices act as photodetectors (PDs) to sense the light guided by the suspended waveguide and convert the photons into electrons, achieving 1 × 2 in-plane information transmission via visible light. Correspondingly, the three devices can function as independent PDs to realize multiple receivers for free space visible light communication. Further, the on-chip photonic platform can be used as an active electro-optical sensing system when the middle device acts as a PD and the other two devices serve as LEDs. The experimental results show that the auxiliary LED sources can enhance the amplitude of the induced photocurrent. PMID:27136794

  15. Multicolor Quantum Dot-Based Chemical Nose for Rapid and Array-Free Differentiation of Multiple Proteins.

    PubMed

    Xu, Qinfeng; Zhang, Yihong; Tang, Bo; Zhang, Chun-yang

    2016-02-16

    Nanomaterial-based differential sensors (e.g., chemical nose) have shown great potential for identification of multiple proteins because of their modulatable recognition and transduction capability but with the limitation of array separation, single-channel read-out, and long incubation time. Here, we develop a multicolor quantum dot (QD)-based multichannel sensing platform for rapid identification of multiple proteins in an array-free format within 1 min. A protein-binding dye of bromophenol blue (BPB) is explored as an efficient reversible quencher of QDs, and the mixture of BPB with multicolor QDs may generate the quenched QD-BPB complexes. The addition of proteins will disrupt the QD-BPB complexes as a result of the competitive protein-BPB binding, inducing the separation of BPB from the QDs and the generation of distinct fluorescence patterns. The multicolor patterns may be collected at a single-wavelength excitation and differentiated by a linear discriminant analysis (LDA). This multichannel sensing platform allows for the discrimination of ten proteins and seven cell lines with the fastest response rate reported to date, holding great promise for rapid and high-throughput medical diagnostics.

  16. On-chip integration of suspended InGaN/GaN multiple-quantum-well devices with versatile functionalities.

    PubMed

    Cai, Wei; Yang, Yongchao; Gao, Xumin; Yuan, Jialei; Yuan, Wei; Zhu, Hongbo; Wang, Yongjin

    2016-03-21

    We propose, fabricate and demonstrate on-chip photonic integration of suspended InGaN/GaN multiple quantum wells (MQWs) devices on the GaN-on-silicon platform. Both silicon removal and back wafer etching are conducted to obtain membrane-type devices, and suspended waveguides are used for the connection between p-n junction InGaN/GaN MQWs devices. As an in-plane data transmission system, the middle p-n junction InGaN/GaN MQWs device is used as a light emitting diode (LED) to deliver signals by modulating the intensity of the emitted light, and the other two devices act as photodetectors (PDs) to sense the light guided by the suspended waveguide and convert the photons into electrons, achieving 1 × 2 in-plane information transmission via visible light. Correspondingly, the three devices can function as independent PDs to realize multiple receivers for free space visible light communication. Further, the on-chip photonic platform can be used as an active electro-optical sensing system when the middle device acts as a PD and the other two devices serve as LEDs. The experimental results show that the auxiliary LED sources can enhance the amplitude of the induced photocurrent.

  17. Multiple timescale analysis of dynamical evolution near two coalescing eigenvalues in open quantum systems

    NASA Astrophysics Data System (ADS)

    Garmon, Savannah; Ordonez, Gonzalo

    Recently the physics of coalescing eigenvalues at an exceptional point (EP) has been studied in a wide range of physical contexts, including open quantum systems. At an EP N at which N eigenvalues coalesce the Hamiltonian can no longer be diagonalized but instead only reduced to a Jordan block of dimension N. In order to describe the survival probability P (t) for an initially prepared state in the vicinity of two coalescing levels, we further subdivide the EP2 case into the EP2A and EP2B, where the EP2A involves the coalesce of two virtual bound states to form a resonance/anti-resonance pair and the EP2B occurs when two resonances collide to form two new resonances. We show that in the vicinity of the EP2B the usual exponential decay appearing for resonances on intermediate timescales is modified as P (t) ~ te-Γt . However, the long-time evolution near the EP2B follows a 1 /t3 power law decay. Meanwhile the evolution for the EP2A is non-exponential on all timescales, and may be strongly influenced by continuum threshold effects.

  18. Injection current dependences of electroluminescence transition energy in InGaN/GaN multiple quantum wells light emitting diodes under pulsed current conditions

    NASA Astrophysics Data System (ADS)

    Zhang, Feng; Ikeda, Masao; Zhou, Kun; Liu, Zongshun; Liu, Jianping; Zhang, Shuming; Yang, Hui

    2015-07-01

    Injection current dependences of electroluminescence transition energy in blue InGaN/GaN multiple quantum wells light emitting diodes (LEDs) with different quantum barrier thicknesses under pulsed current conditions have been analyzed taking into account the related effects including deformation caused by lattice strain, quantum confined Stark effects due to polarization field partly screened by carriers, band gap renormalization, Stokes-like shift due to compositional fluctuations which are supposed to be random alloy fluctuations in the sub-nanometer scale, band filling effect (Burstein-Moss shift), and quantum levels in finite triangular wells. The bandgap renormalization and band filling effect occurring at high concentrations oppose one another, however, the renormalization effect dominates in the concentration range studied, since the band filling effect arising from the filling in the tail states in the valence band of quantum wells is much smaller than the case in the bulk materials. In order to correlate the carrier densities with current densities, the nonradiative recombination rates were deduced experimentally by curve-fitting to the external quantum efficiencies. The transition energies in LEDs both with 15 nm quantum barriers and 5 nm quantum barriers, calculated using full strengths of theoretical macroscopic polarization given by Barnardini and Fiorentini [Phys. Status Solidi B 216, 391 (1999)] are in excellent accordance with experimental results. The LED with 5 nm barriers has been shown to exhibit a higher transition energy and a smaller blue shift than those of LED with 15 nm barriers, which is mainly caused by the smaller internal polarization field in the quantum wells.

  19. Injection current dependences of electroluminescence transition energy in InGaN/GaN multiple quantum wells light emitting diodes under pulsed current conditions

    SciTech Connect

    Zhang, Feng; Ikeda, Masao Liu, Jianping; Zhang, Shuming; Zhou, Kun; Yang, Hui; Liu, Zongshun

    2015-07-21

    Injection current dependences of electroluminescence transition energy in blue InGaN/GaN multiple quantum wells light emitting diodes (LEDs) with different quantum barrier thicknesses under pulsed current conditions have been analyzed taking into account the related effects including deformation caused by lattice strain, quantum confined Stark effects due to polarization field partly screened by carriers, band gap renormalization, Stokes-like shift due to compositional fluctuations which are supposed to be random alloy fluctuations in the sub-nanometer scale, band filling effect (Burstein-Moss shift), and quantum levels in finite triangular wells. The bandgap renormalization and band filling effect occurring at high concentrations oppose one another, however, the renormalization effect dominates in the concentration range studied, since the band filling effect arising from the filling in the tail states in the valence band of quantum wells is much smaller than the case in the bulk materials. In order to correlate the carrier densities with current densities, the nonradiative recombination rates were deduced experimentally by curve-fitting to the external quantum efficiencies. The transition energies in LEDs both with 15 nm quantum barriers and 5 nm quantum barriers, calculated using full strengths of theoretical macroscopic polarization given by Barnardini and Fiorentini [Phys. Status Solidi B 216, 391 (1999)] are in excellent accordance with experimental results. The LED with 5 nm barriers has been shown to exhibit a higher transition energy and a smaller blue shift than those of LED with 15 nm barriers, which is mainly caused by the smaller internal polarization field in the quantum wells.

  20. Evolution in quantum leaps: multiple combinatorial transfers of HPI and other genetic modules in Enterobacteriaceae.

    PubMed

    Paauw, Armand; Leverstein-van Hall, Maurine A; Verhoef, Jan; Fluit, Ad C

    2010-01-13

    Horizontal gene transfer is a key step in the evolution of Enterobacteriaceae. By acquiring virulence determinants of foreign origin, commensals can evolve into pathogens. In Enterobacteriaceae, horizontal transfer of these virulence determinants is largely dependent on transfer by plasmids, phages, genomic islands (GIs) and genomic modules (GMs). The High Pathogenicity Island (HPI) is a GI encoding virulence genes that can be transferred between different Enterobacteriaceae. We investigated the HPI because it was present in an Enterobacter hormaechei outbreak strain (EHOS). Genome sequence analysis showed that the EHOS contained an integration site for mobile elements and harbored two GIs and three putative GMs, including a new variant of the HPI (HPI-ICEEh1). We demonstrate, for the first time, that combinatorial transfers of GIs and GMs between Enterobacter cloacae complex isolates must have occurred. Furthermore, the excision and circularization of several combinations of the GIs and GMs was demonstrated. Because of its flexibility, the multiple integration site of mobile DNA can be considered an integration hotspot (IHS) that increases the genomic plasticity of the bacterium. Multiple combinatorial transfers of diverse combinations of the HPI and other genomic elements among Enterobacteriaceae may accelerate the generation of new pathogenic strains.

  1. Site connectivities in sodium aluminoborate glasses: multinuclear and multiple quantum NMR results.

    PubMed

    Du, Lin-Shu; Stebbins, Jonathan F

    2005-01-01

    In a series of sodium aluminoborate glasses, we have applied triple-quantum magic-angle spinning (3QMAS) 17O NMR to obtain high-resolution information about the connections among various network structural units, to explore the mixing of aluminum and boron species. Oxygen-17 3QMAS spectra reveal changes in connectivities between AlO4 ([4]Al), AlO5 and AlO6 ([5,6]Al), BO3 ([3]B) and BO4 ([4]B) units, by quantifying populations of bridging oxygens such as Al-O-Al, Al-O-B and B-O-B and of non-bridging oxygens. Several linkages such as [4]Al-O-[4]Al and three-coordinated oxygen associated with [5,6]Al in Al-O-Al, [4]Al-O-[4]B, [4]Al-O-[3]B and [5,6]Al-O-[3]B in Al-O-B as well as [4]B-O-[3]B and [3]B-O-[3]B in B-O-B can be distinguished for the first time. The fractions of these linkages were calculated from models of random mixing and of mixing with maximum avoidance of tetrahedral-tetrahedral linkages. The results suggest that the structure of all of glasses in this study is well approximated by the latter model. However, the energetic "penalty" for formation of [4]Al-O-[4]B may be somewhat less than for [4]Al-O-[4]Al and [4]B-O-[4]B. In general, the new results presented here are similar to those obtained on glasses in this system by 27Al{11B} REDOR NMR (J. Phys. Chem. B 104 (2000) 6541), but provide considerably more detail on network connectivity and ordering schemes.

  2. Multiple logic functions from extended blockade region in a silicon quantum-dot transistor

    SciTech Connect

    Lee, Youngmin; Lee, Sejoon Im, Hyunsik; Hiramoto, Toshiro

    2015-02-14

    We demonstrate multiple logic-functions at room temperature on a unit device of the Si single electron transistor (SET). Owing to the formation of the multi-dot system, the device exhibits the enhanced Coulomb blockade characteristics (e.g., large peak-to-valley current ratio ∼200) that can improve the reliability of the SET-based logic circuits. The SET displays a unique feature useful for the logic applications; namely, the Coulomb oscillation peaks are systematically shifted by changing either of only the gate or the drain voltage. This enables the SET to act as a multi-functional one-transistor logic gate with AND, OR, NAND, and XOR functions.

  3. Effect of low-energy electron irradiation on the optical properties of structures containing multiple InGaN/GaN quantum well

    SciTech Connect

    Vergeles, P. S.; Yakimov, E. B.

    2015-02-15

    Data on the temperature dependence of the cathodoluminescence intensity in multiple InGaN/GaN quantum-well structures in the temperature range 80–300 K are reported. Unirradiated structures and structures irradiated with electrons with subthreshold energy are studied. It is shown that, upon irradiation, the temperature dependence becomes weaker. From analysis of the results obtained in this study and previously, it can be suggested that electron irradiation initiates the relaxation of strains produced in quantum wells due to the InGaN-GaN lattice mismatch.

  4. Absorption enhancement through Fabry-Pérot resonant modes in a 430 nm thick InGaAs/GaAsP multiple quantum wells solar cell

    SciTech Connect

    Behaghel, B.; Tamaki, R.; Watanabe, K.; Sodabanlu, H.; Vandamme, N.; Dupuis, C.; Bardou, N.; Cattoni, A.; Okada, Y.; Sugiyama, M.; Collin, S.; Guillemoles, J.-F.

    2015-02-23

    We study light management in a 430 nm-thick GaAs p-i-n single junction solar cell with 10 pairs of InGaAs/GaAsP multiple quantum wells (MQWs). The epitaxial layer transfer on a gold mirror improves light absorption and increases the external quantum efficiency below GaAs bandgap by a factor of four through the excitation of Fabry-Perot resonances. We show a good agreement with optical simulation and achieve around 10% conversion efficiency. We demonstrate numerically that this promising result can be further improved by anti-reflection layers. This study paves the way to very thin MQWs solar cells.

  5. Aromatic derivatives of 2,3-dihydro-1H-1,5-benzodiazepine

    SciTech Connect

    Orlov, V.D.; Desenko, S.M.; Kiroga, Kh.

    1987-09-01

    The formation of 2,2,4-trisubstituted 2,3-dihydro-1H-1,5-benzodiazepines in the reactions of acetylarenes with 4-ethoxy- and 3,5-dimethyl-1,2-phenylenediamine was studied. The effect of the substituents on the individual stages of the reactions is discussed. A quantum-chemical calculation of the relative nucleophilicity of 1,2-phenylenediamine, 2,3-diaminopyridine, and 3,4-diaminofurazan was undertaken.

  6. Simultaneous quantitative detection of multiple tumor markers with a rapid and sensitive multicolor quantum dots based immunochromatographic test strip.

    PubMed

    Wang, Chunying; Hou, Fei; Ma, Yicai

    2015-06-15

    A novel multicolor quantum dots (QDs) based immunochromatographic test strip (ICTS) was developed for simultaneous quantitative detection of multiple tumor markers, by utilizing alpha fetoprotein (AFP) and carcinoembryonic antigen (CEA) as models. The immunosensor could realize simultaneous quantitative detection of tumor markers with only one test line and one control line on the nitrocellulose membrane (NC membrane) due to the introduction of multicolor QDs. In this method, a mixture of mouse anti-AFP McAb and mouse anti-CEA McAb was coated on NC membrane as test line and goat anti-mouse IgG antibody was coated as control line. Anti-AFP McAb-QDs546 conjugates and anti-CEA McAb-QDs620 conjugates were mixed and applied to the conjugate pad. Simultaneous quantitative detection of multiple tumor markers was achieved by detecting the fluorescence intensity of captured QDs labels on test line and control line using a test strip reader. Under the optimum conditions, AFP and CEA could be detected as low as 3 ng/mL and 2 ng/mL in 15 min with a sample volume of 80 μL, and no obvious cross-reactivity was observed. The immunosensor was validated with 130 clinical samples and in which it exhibited high sensitivity (93% for AFP and 87% for CEA) and specificity (94% for AFP and 97% for CEA). The immunosensor also demonstrated high recoveries (87.5-113% for AFP and 90-97.3% for CEA) and low relative standard deviations (RSDs) (2.8-6.2% for AFP and 4.9-9.6% for CEA) when testing spiked human serum. This novel multicolor QDs based ICTS provides an easy and rapid, simultaneous quantitative detecting strategy for point-of-care testing of tumor markers. PMID:25562743

  7. Multi-color quantum dot-based fluorescence immunoassay array for simultaneous visual detection of multiple antibiotic residues in milk.

    PubMed

    Song, Erqun; Yu, Mengqun; Wang, Yunyun; Hu, Weihua; Cheng, Dan; Swihart, Mark T; Song, Yang

    2015-10-15

    Antibiotic residues, which are among the most common contaminants in animal-based food products such as milk, have become a significant public health concern. Here, we combine a multicolor quantum dot (QD)-based immunofluorescence assay and an array analysis method to achieve simultaneous, sensitive and visual detection of streptomycin (SM), tetracycline (TC), and penicillin G (PC-G) in milk. Antibodies (Abs) for SM, TC and PC-G were conjugated to QDs with different emission wavelengths (QD 520 nm, QD 565 nm and QD 610 nm) to serve as detection probes (QD-Ab). Then a direct competitive fluorescent immunoassay was performed in antigen-coated microtiter plate wells for simultaneous qualitative and quantitative detection of SM, TC, and PC-G residues, based on fluorescence of the QD-Ab probes. The linear ranges for SM, TC and PC-G were 0.01-25 ng/mL, 0.01-25 ng/mL and 0.01-10 ng/mL, respectively, with detection limit of 5 pg/mL for each of them. Based on fluorescence of the QD-Ab probes, residues of the three antibiotics were determined visually and simultaneously. Compared with a commercial enzyme-linked immunosorbent assay kit, our method could achieve simultaneous analysis of multiple target antibiotics in multiple samples in a single run (high-throughput analysis) and improved accuracy and sensitivity for analysis of residues of the three antibiotics in authentic milk samples. This new analytical tool can play an important role in ameliorating the negative impact of the residual antibiotics on human health and the ecosystem. PMID:26002016

  8. The impact of quantum dots magnetization on spin separation and spin current in a multiple quantum-dot ring in the presence of Rashba spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Faizabadi, Edris; Eslami, Leila

    2012-06-01

    The influence of quantum dot magnetization on electronic spin-dependent transport is investigated through a triple-quantum-dot ring structure in which one of the quantum dots is non-magnetic subjected to the Rashba spin-orbit interaction and the two other ones possess magnetic structure. Evaluated results, based on single particle Green's function formalism, indicate that the presence of magnetic moment on the quantum dots leads to additional spin-dependent phase factor which affects electronic transport through the system. For both antiferromagnetic and ferromagnetic quantum dots, the system can operate as a spin-splitter but differently; by tuning Rashba spin-orbit strength and in the presence of magnetic flux, respectively. Besides, in the absence of one of the outgoing leads, spin current in the output is calculated and demonstrated that magnetization of quantum dots leads to spin current even in the absence of Rashba spin-orbit effect. Moreover, it is shown that in the presence of Rashba spin orbit interaction, magnetic quantum dots, and magnetic flux, the two terminal system produces a completely tunable spin current.

  9. Non-protein coding RNA-based genosensor with quantum dots as electrochemical labels for attomolar detection of multiple pathogens.

    PubMed

    Vijian, Dinesh; Chinni, Suresh V; Yin, Lee Su; Lertanantawong, Benchaporn; Surareungchai, Werasak

    2016-03-15

    The ability of a diagnostic test to detect multiple pathogens simultaneously is useful to obtain meaningful information for clinical treatment and preventive measures. We report a highly sensitive and specific electrochemical biosensor assay for simultaneous detection of three gene targets using quantum dots (QDs). The targets are novel non-protein coding RNA (npcRNA) sequences of Vibrio cholerae, Salmonella sp. and Shigella sp., which cause diarrheal diseases. QDs (PbS, CdS, ZnS) were synthesized and functionalized with DNA probes that were specific to each pathogen. Electrochemical detection of QDs was performed using square wave anodic stripping voltammetry (SWASV). The QDs gave distinct peaks at 0.5 V (PbS), 0.75 V (CdS) and 1.1 V (ZnS). There was no interference in signal response when all three QDs were mixed and detected simultaneously. The detection limits of single and multiplex assays with linear targets and PCR products were in the attomolar ranges. The high assay sensitivity, in combination with specific npcRNA sequences as novel diagnostic targets, makes it a viable tool for detecting pathogens from food, environment and clinical samples. PMID:26513287

  10. Properties of a CdZnO/ZnO multiple quantum-well light-emitting diode

    NASA Astrophysics Data System (ADS)

    Liu, Zhan-Hui; Zhang, Li-Li; Li, Qing-Fang; Zhang, Rong; Xie, Zi-Li; Xiu, Xiang-Qian; Liu, Bin

    2016-10-01

    A CdZnO/ZnO multiple quantum-well light-emitting diode (LED) structure was successfully grown by using plasma-assisted molecular beam epitaxy on a p-GaN template that had been grown by using metal-organic chemical-vapor deposition on a c-sapphire substrate. The properties of the sample were characterized by using high-resolution X-ray diffraction, transmission electron microscopy, and temperature-dependent photoluminescence measurements. The light output performance of the CdZnO/ZnO QW LED device was also investigated in detail by using I-V and electroluminescence spectral measurements. The characterization showed that our CdZnO/ZnO QW LED structure had good crystalline quality and weaker carrier localization. Owing to the heterojunction structure, the I-V curve indicated that the LED device had a higher turn-on voltage and series resistance. The EL measurement demonstrated that for our LED device's optoelectronic characteristic, the carrier-screening effect played the dominant role in the emission-energy blue-shift mechanism, and the broadening of the emission energy width was mainly ascribed to the band-filling effect. Without a special heat sinking, the L-I curve exhibited slight efficiency droop after 30 mA.

  11. Design and Room-Temperature Operation of GaAs/AlGaAs Multiple Quantum Well Nanowire Lasers.

    PubMed

    Saxena, Dhruv; Jiang, Nian; Yuan, Xiaoming; Mokkapati, Sudha; Guo, Yanan; Tan, Hark Hoe; Jagadish, Chennupati

    2016-08-10

    We present the design and room-temperature lasing characteristics of single nanowires containing coaxial GaAs/AlGaAs multiple quantum well (MQW) active regions. The TE01 mode, which has a doughnut-shaped intensity profile and is polarized predominantly in-plane to the MQWs, is predicted to lase in these nanowire heterostructures and is thus chosen for the cavity design. Through gain and loss calculations, we determine the nanowire dimensions required to minimize loss for the TE01 mode and determine the optimal thickness and number of QWs for minimizing the threshold sheet carrier density. In particular, we show that there is a limit to the minimum and maximum number of QWs that are required for room-temperature lasing. Based on our design, we grew nanowires of a suitable diameter containing eight uniform coaxial GaAs/AlGaAs MQWs. Lasing was observed at room temperature from optically pumped single nanowires and was verified to be from TE01 mode by polarization measurements. The GaAs MQW nanowire lasers have a threshold fluence that is a factor of 2 lower than that previously demonstrated for room-temperature GaAs nanowire lasers. PMID:27459233

  12. Hydration free energies using semiempirical quantum mechanical Hamiltonians and a continuum solvent model with multiple atomic-type parameters.

    PubMed

    Anisimov, Victor M; Cavasotto, Claudio N

    2011-06-23

    To build the foundation for accurate quantum mechanical (QM) simulation of biomacromolecules in an aqueous environment, we undertook the optimization of the COnductor-like Screening MOdel (COSMO) atomic radii and atomic surface tension coefficients for different semiempirical Hamiltonians adhering to the same computational conditions recently followed in the simulation of biomolecular systems. This optimization was achieved by reproducing experimental hydration free energies of a set consisting of 507 neutral and 99 ionic molecules. The calculated hydration free energies were significantly improved by introducing a multiple atomic-type scheme that reflects different chemical environments. The nonpolar contribution was treated according to the scaled particle Claverie-Pierotti formalism. Separate radii and surface tension coefficient sets have been developed for AM1, PM3, PM5, and RM1 semiempirical Hamiltonians, with an average unsigned error for neutral molecules of 0.64, 0.66, 0.73, and 0.71 kcal/mol, respectively. Free energy calculation of each molecule took on average 0.5 s on a single processor. The new sets of parameters will enhance the quality of semiempirical QM calculations using COSMO in biomolecular systems. Overall, these results further extend the utility of QM methods to chemical and biological systems in the condensed phase.

  13. Design and performance of a sensor system for detection of multiple chemicals using an external cavity quantum cascade laser

    NASA Astrophysics Data System (ADS)

    Phillips, Mark C.; Taubman, Matthew S.; Bernacki, Bruce E.; Cannon, Bret D.; Schiffern, John T.; Myers, Tanya L.

    2010-01-01

    We describe the performance of a sensor system designed for simultaneous detection of multiple chemicals with both broad and narrow absorption features. The sensor system consists of a broadly tunable external cavity quantum cascade laser (ECQCL), multi-pass Herriott cell, and custom low-noise electronics. The ECQCL features a fast wavelength tuning rate of 2265 cm-1/s (15660 nm/s) over the range of 1150-1270 cm-1 (7.87-8.70 μm), which permits detection of molecules with broad absorption features and dynamic concentrations, while the 0.2 cm-1 spectral resolution of the ECQCL system allows measurement of small molecules with atmospherically broadened absorption lines. High-speed amplitude modulation and low-noise electronics are used to improve the ECQCL performance for direct absorption measurements. We demonstrate simultaneous detection of Freon-134a (1,1,1,2-tetrafluoroethane), ammonia (NH3), and nitrous oxide (N2O) at low-ppb concentrations in field measurements of atmospheric chemical releases from a point source.

  14. Controlling optical polarization of {11-22} semipolar multiple quantum wells using relaxed underlying InGaN buffer layers

    NASA Astrophysics Data System (ADS)

    Okada, Narihito; Okamura, Yasuhiro; Uchida, Katsumi; Tadatomo, Kazuyuki

    2016-08-01

    We successfully fabricated {11-22} multiple quantum wells (MQWs) having different emission peak wavelengths on partially or completely relaxed thick InGaN buffer layers with different In contents formed on a semipolar {11-22} GaN layer, which was grown on a patterned r-plane sapphire substrate. The polarization properties changed significantly with changing in In content and thickness for InGaN buffer layer. For the same In content of the InGaN buffer layer, the optical polarization changed with an increase in the thickness of the underlying InGaN buffer layer, indicating a change in the relaxation ratio of the InGaN buffer layer. Similarly, for the same thickness of the InGaN buffer layer, the optical polarization changed by changing In content of the InGaN buffer layer. Thus, the degree of optical polarization could be controlled by varying the In content of the underlying InGaN buffer layer.

  15. Design and Room-Temperature Operation of GaAs/AlGaAs Multiple Quantum Well Nanowire Lasers.

    PubMed

    Saxena, Dhruv; Jiang, Nian; Yuan, Xiaoming; Mokkapati, Sudha; Guo, Yanan; Tan, Hark Hoe; Jagadish, Chennupati

    2016-08-10

    We present the design and room-temperature lasing characteristics of single nanowires containing coaxial GaAs/AlGaAs multiple quantum well (MQW) active regions. The TE01 mode, which has a doughnut-shaped intensity profile and is polarized predominantly in-plane to the MQWs, is predicted to lase in these nanowire heterostructures and is thus chosen for the cavity design. Through gain and loss calculations, we determine the nanowire dimensions required to minimize loss for the TE01 mode and determine the optimal thickness and number of QWs for minimizing the threshold sheet carrier density. In particular, we show that there is a limit to the minimum and maximum number of QWs that are required for room-temperature lasing. Based on our design, we grew nanowires of a suitable diameter containing eight uniform coaxial GaAs/AlGaAs MQWs. Lasing was observed at room temperature from optically pumped single nanowires and was verified to be from TE01 mode by polarization measurements. The GaAs MQW nanowire lasers have a threshold fluence that is a factor of 2 lower than that previously demonstrated for room-temperature GaAs nanowire lasers.

  16. Onset of surface stimulated emission at 260 nm from AlGaN multiple quantum wells

    SciTech Connect

    Li, Xiaohang E-mail: dupuis@gatech.edu; Xie, Hongen; Ponce, Fernando A.; Ryou, Jae-Hyun; Detchprohm, Theeradetch; Dupuis, Russell D. E-mail: dupuis@gatech.edu

    2015-12-14

    We demonstrated onset of deep-ultraviolet (DUV) surface stimulated emission (SE) from c-plane AlGaN multiple-quantum well (MQW) heterostructures grown on a sapphire substrate by optical pumping at room temperature. The onset of SE became observable at a pumping power density of 630 kW/cm{sup 2}. Spectral deconvolution revealed superposition of a linearly amplified spontaneous emission peak at λ ∼ 257.0 nm with a full width at half maximum (FWHM) of ∼12 nm and a superlinearly amplified SE peak at λ ∼ 260 nm with a narrow FWHM of less than 2 nm. In particular, the wavelength of ∼260 nm is the shortest wavelength of surface SE from III-nitride MQW heterostructures to date. Atomic force microscopy and scanning transmission electron microscopy measurements were employed to investigate the material and structural quality of the AlGaN heterostructures, showing smooth surface and sharp layer interfaces. This study offers promising results for AlGaN heterostructures grown on sapphire substrates for the development of DUV vertical cavity surface emitting lasers (VCSELs)

  17. Demonstration of optically controlled data routing with the use of multiple-quantum-well bistable and electro-optical devices

    NASA Astrophysics Data System (ADS)

    Koppa, P.; Chavel, P.; Oudar, J. L.; Kuszelewicz, R.; Schnell, J. P.; Pocholle, J. P.

    1997-08-01

    We present experimental results on a 1-to-64-channel free-space photonic switching demonstration system based on GaAs GaAlAs multiple-quantum-well active device arrays. Two control schemes are demonstrated: data transparent optical self-routing usable in a packet-switching environment and direct optical control with potential signal amplification for circuit switching. The self-routing operation relies on the optical recognition of the binary destination address coded in each packet header. Address decoding is implemented with elementary optical bistable devices and modulator pixels as all-optical latches and electro-optical and gates, respectively. All 60 defect-free channels of the system could be operated one by one, but the simultaneous operation of only three channels could be achieved mainly because of the spatial nonhomogeneities of the devices. Direct-control operation is based on directly setting the bistable device reflectivity with a variable-control beam power. This working mode turned out to be much more tolerant of spatial noises: 37 channels of the system could be operated simultaneously. Further development of the system to a crossbar of N inputs and M outputs and system miniaturization are also considered.

  18. Design and Performance of a Sensor System for Detection of Multiple Chemicals Using an External Cavity Quantum Cascade Laser

    SciTech Connect

    Phillips, Mark C.; Taubman, Matthew S.; Bernacki, Bruce E.; Cannon, Bret D.; Schiffern, John T.; Myers, Tanya L.

    2010-01-23

    We describe the performance of a sensor system designed for simultaneous detection of multiple chemicals with both broad and narrow absorption features. The sensor system consists of a broadly tunable external cavity quantum cascade laser (ECQCL), multi-pass Herriott cell, and custom low-noise electronics. The ECQCL features a rapid wavelength tuning rate of 2265 cm 1/s (15660 nm/s) over its tuning range of 1150-1270 cm 1 (7.87-8.70 μm), which permits detection of molecules with broad absorption features and dynamic concentrations, while the 0.2 cm-1 spectral resolution of the ECQCL system allows measurement of small molecules with atmospherically broadened absorption lines. High-speed amplitude modulation and low-noise electronics are used to improve the ECQCL performance for direct absorption measurements. We demonstrate simultaneous detection of Freon-134a (1,1,1,2-tetrafluoroethane), ammonia (NH3), and nitrous oxide (N2O) at low-ppb concentrations in field measurements of atmospheric chemical releases from a point source.

  19. Systematic study of thresholdless oscillation in high-β buried multiple-quantum-well photonic crystal nanocavity lasers.

    PubMed

    Takiguchi, Masato; Taniyama, Hideaki; Sumikura, Hisashi; Birowosuto, Muhammad Danang; Kuramochi, Eiichi; Shinya, Akihiko; Sato, Tomonari; Takeda, Koji; Matsuo, Shinji; Notomi, Masaya

    2016-02-22

    Buried multiple-quantum-well (MQW) 2D photonic crystal cavities (PhC) achieve low non-radiative recombination and high carrier confinement thus making them highly efficient emitters. In this study, we have investigated the lasing characteristics of high-β(spontaneous emission coupling factor) buried MQW photonic crystal nanocavity lasers to clarify the theoretically-predicted thresholdless operation in high-β nanolasers. The strong light and carrier confinement and low non-radiative recombination in our nanolasers have enabled us to clearly demonstrate very smooth lasing transition in terms of the light-in vs light-out curve and cavity linewidth. To clarify the thresholdless lasing behavior, we carried out a lifetime measurement and a photon correlation measurement, which also confirmed the predicted behavior. In addition, we systematically investigated the dependence of β on the detuning frequency, which was in good agreement with a numerical simulation based on the finite-difference time-domain method. This is the first convincing systematic study of nanolasers based on an MQW close to the thresholdless regime. PMID:26907003

  20. Quantum Darwinism

    NASA Astrophysics Data System (ADS)

    Zurek, Wojciech Hubert

    2009-03-01

    Quantum Darwinism describes the proliferation, in the environment, of multiple records of selected states of a quantum system. It explains how the quantum fragility of a state of a single quantum system can lead to the classical robustness of states in their correlated multitude; shows how effective `wave-packet collapse' arises as a result of the proliferation throughout the environment of imprints of the state of the system; and provides a framework for the derivation of Born's rule, which relates the probabilities of detecting states to their amplitudes. Taken together, these three advances mark considerable progress towards settling the quantum measurement problem.

  1. In vivo single-shot three-dimensionally localized multiple quantum spectroscopy of GABA in the human brain with improved spectral selectivity

    NASA Astrophysics Data System (ADS)

    Choi, In-Young; Lee, Sang-Pil; Shen, Jun

    2005-01-01

    A single-shot multiple quantum filtering method is developed that uses two double-band frequency selective pulses for enhanced spectral selectivity in combination with a slice-selective 90°, a slice-selective universal rotator 90°, and a spectral-spatial pulse composed of two slice-selective universal rotator 45° pulses for single-shot three-dimensional localization. The use of this selective multiple quantum filtering method for C3 and C4 methylene protons of GABA resulted in improved spectral selectivity for GABA and effective suppression of overlapping signals such as creatine and glutathione in each single scan, providing reliable measurements of the GABA doublet in all subjects. The concentration of GABA was measured to be 0.7 ± 0.2 μmol/g (means ± SD, n = 15) in the fronto-parietal region of the human brain in vivo.

  2. Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods.

    PubMed

    Kapil, V; VandeVondele, J; Ceriotti, M

    2016-02-01

    The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. Even though recent developments have significantly reduced the overhead for modeling the quantum nature of the nuclei, the cost is still prohibitive when combined with advanced electronic structure methods. Here we present how multiple time step integrators can be combined with ring-polymer contraction techniques (effectively, multiple time stepping in imaginary time) to reduce virtually to zero the overhead of modelling nuclear quantum effects, while describing inter-atomic forces at high levels of electronic structure theory. This is demonstrated for a combination of MP2 and semi-local DFT applied to the Zundel cation. The approach can be seamlessly combined with other methods to reduce the computational cost of path integral calculations, such as high-order factorizations of the Boltzmann operator or generalized Langevin equation thermostats.

  3. Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods

    NASA Astrophysics Data System (ADS)

    Kapil, V.; VandeVondele, J.; Ceriotti, M.

    2016-02-01

    The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. Even though recent developments have significantly reduced the overhead for modeling the quantum nature of the nuclei, the cost is still prohibitive when combined with advanced electronic structure methods. Here we present how multiple time step integrators can be combined with ring-polymer contraction techniques (effectively, multiple time stepping in imaginary time) to reduce virtually to zero the overhead of modelling nuclear quantum effects, while describing inter-atomic forces at high levels of electronic structure theory. This is demonstrated for a combination of MP2 and semi-local DFT applied to the Zundel cation. The approach can be seamlessly combined with other methods to reduce the computational cost of path integral calculations, such as high-order factorizations of the Boltzmann operator or generalized Langevin equation thermostats.

  4. 1H NMR spectra part 31: 1H chemical shifts of amides in DMSO solvent.

    PubMed

    Abraham, Raymond J; Griffiths, Lee; Perez, Manuel

    2014-07-01

    The (1)H chemical shifts of 48 amides in DMSO solvent are assigned and presented. The solvent shifts Δδ (DMSO-CDCl3 ) are large (1-2 ppm) for the NH protons but smaller and negative (-0.1 to -0.2 ppm) for close range protons. A selection of the observed solvent shifts is compared with calculated shifts from the present model and from GIAO calculations. Those for the NH protons agree with both calculations, but other solvent shifts such as Δδ(CHO) are not well reproduced by the GIAO calculations. The (1)H chemical shifts of the amides in DMSO were analysed using a functional approach for near ( ≤ 3 bonds removed) protons and the electric field, magnetic anisotropy and steric effect of the amide group for more distant protons. The chemical shifts of the NH protons of acetanilide and benzamide vary linearly with the π density on the αN and βC atoms, respectively. The C=O anisotropy and steric effect are in general little changed from the values in CDCl3. The effects of substituents F, Cl, Me on the NH proton shifts are reproduced. The electric field coefficient for the protons in DMSO is 90% of that in CDCl3. There is no steric effect of the C=O oxygen on the NH proton in an NH…O=C hydrogen bond. The observed deshielding is due to the electric field effect. The calculated chemical shifts agree well with the observed shifts (RMS error of 0.106 ppm for the data set of 257 entries). PMID:24824670

  5. Band lineup in GaAs(1-x)Sbx/GaAs strained-layer multiple quantum wells grown by molecular-beam epitaxy

    NASA Technical Reports Server (NTRS)

    Ji, G.; Agarwala, S.; Huang, D.; Chyi, J.; Morkoc, H.

    1988-01-01

    GaAs(1-x)Sbx/GaAs strained-layer multiple quantum wells have been grown by molecular-beam epitaxy and characterized by room-temperature photoreflectance (PR). The PR spectra denote that high-quality layers can be grown in the GaAs(1-x)Sbx/GaAs system. The method for determining the band offset Q(vh) is discussed in this strained-layer system.

  6. Synthesis, characterization and computational study on ethyl 4-(3-Furan-2yl-acryloyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

    NASA Astrophysics Data System (ADS)

    Singh, R. N.; Rawat, Poonam; Sahu, Sangeeta

    2014-11-01

    As part of study on pyrrole derivatives, we have synthesized a pyrrole chalcone derivative: ethyl 4-(3-Furan-2yl-acryloyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (EFADPC) by aldol condensation of ethyl 3, 5-dimethyl-4-actyl-1H-pyrrole-2-carboxylate with furan-2-carbaldehyde in the presence of strong hydroxyl base as catalyst. The product EFADPC has been confirmed by spectroscopic (FT-IR, 1H NMR, and UV-visible) analyses. Quantum chemical calculation also provides good correlation with experimental data. The molecular electrostatic potential surface (MEP), natural bond orbital interactions (NBO), electronic descriptors, quantum theory of atoms' in molecules (QTAIM) and experimental FT-IR spectrum have been used to predict the sites and nature of interactions which indicate that the dimer formation with multiple interactions through Nsbnd H···O and Csbnd H···O. The vibrational analysis shows red shifts in νNsbnd H and νCdbnd O as result of dimer formation. The binding energy of dimer is calculated as 13.82, 15.24 kcal/mol using DFT, QTAIM analysis, respectively. The result of ellipticity confirms the existence of resonance assisted hydrogen bonds (RAHB) in dimer. The MEP and local reactivity descriptors analyses have been performed and the results indicate that carbonyl carbon and β-carbon of chalcone frame have been prone to nucleophilic attack and lead to large number of heterocyclic compounds such as oxirane, oxazoles, pyrazoles, pyridines, pyrimidines, and pyran.

  7. Highly efficient blue organic light-emitting diodes using quantum well-like multiple emissive layer structure

    PubMed Central

    2014-01-01

    In this study, the properties of blue organic light-emitting diodes (OLEDs), employing quantum well-like structure (QWS) that includes four different blue emissive materials of 4,4′-bis(2,2′-diphenylyinyl)-1,1′-biphenyl (DPVBi), 9,10-di(naphth-2-yl)anthracene (ADN), 2-(N,N-diphenyl-amino)-6-[4-(N,N-diphenyl amine)styryl]naphthalene (DPASN), and bis(2-methyl-8-quinolinolate)-4-(phenyl phenolato) aluminum (BAlq), were investigated. Conventional QWS blue OLEDs composed of multiple emissive layers and charge blocking layer with lower highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy level, and devices with triple emissive layers for more significant hole-electron recombination and a wider region for exciton generation were designed. The properties of triple emissive layered blue OLEDs with the structure of indium tin oxide (ITO) /N,N′-diphenyl-N,N′-bis(1-naphthyl-phenyl)-(1,1′-biphenyl)-4,4′-diamine (NPB) (700 Ǻ)/X (100 Ǻ)/BAlq (100 Ǻ)/X (100 Ǻ)/4,7-diphenyl-1,10-phenanthroline (Bphen) (300 Ǻ)/lithium quinolate (Liq) (20 Ǻ)/aluminum (Al) (1,200 Ǻ) (X = DPVBi, ADN, DPASN) were examined. HOMO-LUMO energy levels of DPVBi, ADN, DPASN, and BAlq are 2.8 to 5.9, 2.6 to 5.6, 2.3 to 5.2, and 2.9 to 5.9 eV, respectively. The OLEDs with DPASN/BAlq/DPASN QWS with maximum luminous efficiency of 5.32 cd/A was achieved at 3.5 V. PMID:24940170

  8. Formation and characteristics of AlGaN-based three-dimensional hexagonal nanopyramid semi-polar multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Tian, Yingdong; Yan, Jianchang; Zhang, Yun; Zhang, Yonghui; Chen, Xiang; Guo, Yanan; Wang, Junxi; Li, Jinmin

    2016-05-01

    We demonstrated for the first time the formation and study of semi-polar AlGaN multiple-quantum-wells (MQWs) grown on highly regular hexagonal AlN nanopyramids. The AlN nanopyramids were obtained by a metal-organic chemical vapor phase deposition regrowth method on a well-ordered AlN nanorod array prepared by a top-down etching process. The growth mechanism of the AlN nanopyramids was ascribed to the slow growth of the (101&cmb.macr;1) semi-polar plane, which resulted from hydrogen passivation. Beneath the semi-polar facets, air voids were formed. This was attributed to the insufficient delivery of gas reactants to the bottom of the nanorods during the growth process. The polarization effect in semi-polar AlGaN MQWs was numerically calculated. The results showed that the internal electric field (IEF) in the semi-polar MQWs was remarkably reduced by 80% in comparison with c-plane MQWs. Power dependent photoluminescence indicated that the semi-polar AlGaN MQWs had negligible wavelength shifts that resulted from the reduced IEF, which was in accordance with theoretical predictions. In addition, epitaxial strain was greatly relieved in the AlN regrowth layer, which was revealed from the peak shift of the E2(high) phonon using micro-Raman spectroscopy. The advantages of AlGaN-based hexagonal nanopyramid semi-polar three dimensional nanostructures would lead to a large improvement of output power in UV-LEDs.

  9. Highly efficient blue organic light-emitting diodes using quantum well-like multiple emissive layer structure

    NASA Astrophysics Data System (ADS)

    Yoon, Ju-An; Kim, You-Hyun; Kim, Nam Ho; Yoo, Seung Il; Lee, Sang Youn; Zhu, Fu Rong; Kim, Woo Young

    2014-04-01

    In this study, the properties of blue organic light-emitting diodes (OLEDs), employing quantum well-like structure (QWS) that includes four different blue emissive materials of 4,4'-bis(2,2'-diphenylyinyl)-1,1'-biphenyl (DPVBi), 9,10-di(naphth-2-yl)anthracene (ADN), 2-( N, N-diphenyl-amino)-6-[4-( N, N-diphenyl amine)styryl]naphthalene (DPASN), and bis(2-methyl-8-quinolinolate)-4-(phenyl phenolato) aluminum (BAlq), were investigated. Conventional QWS blue OLEDs composed of multiple emissive layers and charge blocking layer with lower highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy level, and devices with triple emissive layers for more significant hole-electron recombination and a wider region for exciton generation were designed. The properties of triple emissive layered blue OLEDs with the structure of indium tin oxide (ITO) / N, N'-diphenyl- N, N'-bis(1-naphthyl-phenyl)-(1,1'-biphenyl)-4,4'-diamine (NPB) (700 Ǻ)/X (100 Ǻ)/BAlq (100 Ǻ)/X (100 Ǻ)/4,7-diphenyl-1,10-phenanthroline (Bphen) (300 Ǻ)/lithium quinolate (Liq) (20 Ǻ)/aluminum (Al) (1,200 Ǻ) (X = DPVBi, ADN, DPASN) were examined. HOMO-LUMO energy levels of DPVBi, ADN, DPASN, and BAlq are 2.8 to 5.9, 2.6 to 5.6, 2.3 to 5.2, and 2.9 to 5.9 eV, respectively. The OLEDs with DPASN/BAlq/DPASN QWS with maximum luminous efficiency of 5.32 cd/A was achieved at 3.5 V.

  10. Formation and characteristics of AlGaN-based three-dimensional hexagonal nanopyramid semi-polar multiple quantum wells.

    PubMed

    Tian, Yingdong; Yan, Jianchang; Zhang, Yun; Zhang, Yonghui; Chen, Xiang; Guo, Yanan; Wang, Junxi; Li, Jinmin

    2016-06-01

    We demonstrated for the first time the formation and study of semi-polar AlGaN multiple-quantum-wells (MQWs) grown on highly regular hexagonal AlN nanopyramids. The AlN nanopyramids were obtained by a metal-organic chemical vapor phase deposition regrowth method on a well-ordered AlN nanorod array prepared by a top-down etching process. The growth mechanism of the AlN nanopyramids was ascribed to the slow growth of the (101[combining macron]1) semi-polar plane, which resulted from hydrogen passivation. Beneath the semi-polar facets, air voids were formed. This was attributed to the insufficient delivery of gas reactants to the bottom of the nanorods during the growth process. The polarization effect in semi-polar AlGaN MQWs was numerically calculated. The results showed that the internal electric field (IEF) in the semi-polar MQWs was remarkably reduced by 80% in comparison with c-plane MQWs. Power dependent photoluminescence indicated that the semi-polar AlGaN MQWs had negligible wavelength shifts that resulted from the reduced IEF, which was in accordance with theoretical predictions. In addition, epitaxial strain was greatly relieved in the AlN regrowth layer, which was revealed from the peak shift of the E2(high) phonon using micro-Raman spectroscopy. The advantages of AlGaN-based hexagonal nanopyramid semi-polar three dimensional nanostructures would lead to a large improvement of output power in UV-LEDs. PMID:27174102

  11. Dislocation Reduction and Stress Relaxation of GaN and InGaN Multiple Quantum Wells with Improved Performance via Serpentine Channel Patterned Mask.

    PubMed

    Ji, Qingbin; Li, Lei; Zhang, Wei; Wang, Jia; Liu, Peichi; Xie, Yahong; Yan, Tongxing; Yang, Wei; Chen, Weihua; Hu, Xiaodong

    2016-08-24

    The existence of high threading dislocation density (TDD) in GaN-based epilayers is a long unsolved problem, which hinders further applications of defect-sensitive GaN-based devices. Multiple-modulation of epitaxial lateral overgrowth (ELOG) is used to achieve high-quality GaN template on a novel serpentine channel patterned sapphire substrate (SCPSS). The dislocation blocking brought by the serpentine channel patterned mask, coupled with repeated dislocation bending, can reduce the dislocation density to a yet-to-be-optimized level of ∼2 × 10(5) to 2 × 10(6) cm(-2). About 80% area utilization rate of GaN with low TDD and stress relaxation is obtained. The periodical variations of dislocation density, optical properties and residual stress in GaN-based epilayers on SCPSS are analyzed. The quantum efficiency of InGaN/GaN multiple quantum wells (MQWs) on it can be increased by 52% compared with the conventional sapphire substrate. The reduced nonradiative recombination centers, the enhanced carrier localization, and the suppressed quantum confined Stark effect, are the main determinants of improved luminous performance in MQWs on SCPSS. This developed ELOG on serpentine shaped mask needs no interruption and regrowth, which can be a promising candidate for the heteroepitaxy of semipolar/nonpolar GaN and GaAs with high quality.

  12. Dislocation Reduction and Stress Relaxation of GaN and InGaN Multiple Quantum Wells with Improved Performance via Serpentine Channel Patterned Mask.

    PubMed

    Ji, Qingbin; Li, Lei; Zhang, Wei; Wang, Jia; Liu, Peichi; Xie, Yahong; Yan, Tongxing; Yang, Wei; Chen, Weihua; Hu, Xiaodong

    2016-08-24

    The existence of high threading dislocation density (TDD) in GaN-based epilayers is a long unsolved problem, which hinders further applications of defect-sensitive GaN-based devices. Multiple-modulation of epitaxial lateral overgrowth (ELOG) is used to achieve high-quality GaN template on a novel serpentine channel patterned sapphire substrate (SCPSS). The dislocation blocking brought by the serpentine channel patterned mask, coupled with repeated dislocation bending, can reduce the dislocation density to a yet-to-be-optimized level of ∼2 × 10(5) to 2 × 10(6) cm(-2). About 80% area utilization rate of GaN with low TDD and stress relaxation is obtained. The periodical variations of dislocation density, optical properties and residual stress in GaN-based epilayers on SCPSS are analyzed. The quantum efficiency of InGaN/GaN multiple quantum wells (MQWs) on it can be increased by 52% compared with the conventional sapphire substrate. The reduced nonradiative recombination centers, the enhanced carrier localization, and the suppressed quantum confined Stark effect, are the main determinants of improved luminous performance in MQWs on SCPSS. This developed ELOG on serpentine shaped mask needs no interruption and regrowth, which can be a promising candidate for the heteroepitaxy of semipolar/nonpolar GaN and GaAs with high quality. PMID:27484167

  13. Congenital Cataracts and Gut Dysmotility in a DYNC1H1 Dyneinopathy Patient

    PubMed Central

    Gelineau-Morel, Rose; Lukacs, Marshall; Weaver, K. Nicole; Hufnagel, Robert B.; Gilbert, Donald L.; Stottmann, Rolf W.

    2016-01-01

    Whole exome sequencing continues to end the diagnostic odyssey for a number of patients and expands our knowledge of phenotypes associated with gene mutations. We describe an 11-year-old female patient with a constellation of symptoms including congenital cataracts, gut dysmotility, sensory neuropathy, and bifrontal polymicrogyria. Whole exome sequencing was performed and identified a de novo heterozygous missense mutation in the ATPase motor domain of cytoplasmic dynein heavy chain 1 (DYNC1H1), which is known to be involved in neuronal migration and retrograde axonal transport. The mutation was found to be highly damaging by multiple prediction programs. The residue is highly conserved, and reported mutations in this gene result in a variety of phenotypes similar to that of our patient. We report only the second case of congenital cataracts and the first of gut dysmotility in a patient with DYNC1H1, thus expanding the spectrum of disease seen in DYNC1H1 dyneinopathies. PMID:27754416

  14. Effects of multiple organic ligands on size uniformity and optical properties of ZnSe quantum dots

    SciTech Connect

    Archana, J.; Navaneethan, M.; Hayakawa, Y.; Ponnusamy, S.; Muthamizhchelvan, C.

    2012-08-15

    Highlights: ► Highly monodispersed ZnSe quantum dots have been synthesized by wet chemical route. ► Strong quantum confinement effect have been observed in ∼ 4 nm ZnSe quantum dots. ► Enhanced ultraviolet near band emission have been obtained using long chain polymer. -- Abstract: The effects of multi-ligands on the formation and optical transitions of ZnSe quantum dots have been investigated. The dots are synthesized using 3-mercapto-1,2-propanediol and polyvinylpyrrolidone ligands, and have been characterized by X-ray diffraction, transmission electron microscopy (TEM), UV–visible absorption spectroscopy, photoluminescence spectroscopy, and Fourier transform infrared spectroscopy. TEM reveals high monodispersion with an average size of 4 nm. Polymer-stabilized, organic ligand-passivated ZnSe quantum dots exhibit strong UV emission at 326 nm and strong quantum confinement in the UV–visible absorption spectrum. Uniform size and suppressed surface trap emission are observed when the polymer ligand is used. The possible growth mechanism is discussed.

  15. Effect of variations in the doping profiles on the properties of doped multiple quantum well avalanche photodiodes

    NASA Technical Reports Server (NTRS)

    Menkara, H. M.; Wagner, B. K.; Summers, C. J.

    1996-01-01

    The purpose of this study is to use both theoretical and experimental evidence to determine the impact of doping imbalance and symmetry on the physical and electrical characteristics of doped multiple quantum well avalanche photodiodes (APD). Theoretical models have been developed to calculate the electric field valence and conduction bands, capacitance-voltage (CV), and carrier concentration versus depletion depth profiles. The models showed a strong correlation between the p- and n-doping balance inside the GaAs wells and the number of depleted stages and breakdown voltage of the APD. A periodic doping imbalance in the wells has been shown to result in a gradual increase (or decrease) in the electric field profile throughout the device which gave rise to partially depleted devices at low bias. The MQW APD structures that we modeled consisted of a 1 micron top p(+)-doped (3 x 10(exp 18) cm(exp -3)) GaAs layer followed by a 1 micron region of alternating layers of GaAs (500 A) and Al(0.42)Ga(0.58)As (500 A), and a 1 micron n(+) back layer (3 x 10(exp 18) cm(exp -3)). The GaAs wells were doped with p-i-n layers placed at the center of each well. The simulation results showed that in an APD with nine doped wells, and where the 50 A p-doped layer is off by 10% (p = 1.65 x 10(exp 18) cm(exp -3), n = 1.5 x 10(exp 18) cm(exp -3)), almost half of the MQW stages were shown to be undepleted at low bias which was a result of a reduction in the electric field near the p(+) cap layer by over 50% from its value in the balanced structure. Experimental CV and IV data on similar MBE grown MQW structures have shown very similar depletion and breakdown characteristics. The models have enabled us to better interpret our experimental data and to determine both the extent of the doping imbalances in the devices as well as the overall p- or n-type doping characteristics of the structures.

  16. Quantum memory Quantum memory

    NASA Astrophysics Data System (ADS)

    Le Gouët, Jean-Louis; Moiseev, Sergey

    2012-06-01

    Interaction of quantum radiation with multi-particle ensembles has sparked off intense research efforts during the past decade. Emblematic of this field is the quantum memory scheme, where a quantum state of light is mapped onto an ensemble of atoms and then recovered in its original shape. While opening new access to the basics of light-atom interaction, quantum memory also appears as a key element for information processing applications, such as linear optics quantum computation and long-distance quantum communication via quantum repeaters. Not surprisingly, it is far from trivial to practically recover a stored quantum state of light and, although impressive progress has already been accomplished, researchers are still struggling to reach this ambitious objective. This special issue provides an account of the state-of-the-art in a fast-moving research area that makes physicists, engineers and chemists work together at the forefront of their discipline, involving quantum fields and atoms in different media, magnetic resonance techniques and material science. Various strategies have been considered to store and retrieve quantum light. The explored designs belong to three main—while still overlapping—classes. In architectures derived from photon echo, information is mapped over the spectral components of inhomogeneously broadened absorption bands, such as those encountered in rare earth ion doped crystals and atomic gases in external gradient magnetic field. Protocols based on electromagnetic induced transparency also rely on resonant excitation and are ideally suited to the homogeneous absorption lines offered by laser cooled atomic clouds or ion Coulomb crystals. Finally off-resonance approaches are illustrated by Faraday and Raman processes. Coupling with an optical cavity may enhance the storage process, even for negligibly small atom number. Multiple scattering is also proposed as a way to enlarge the quantum interaction distance of light with matter. The

  17. Understanding droop effect by analysis on carrier density dependence in InGaN/GaN multiple-quantum-well light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Liu, Wei; Zhao, Degang; Jiang, Desheng; Chen, Ping; Liu, Zongshun; Zhu, Jianjun; Yang, Jing; He, Xiaoguang; Li, Xiaojing; Li, Xiang; Liang, Feng; Liu, Jianping; Zhang, Liqun; Yang, Hui; Zhang, Yuantao; Du, Guotong

    2016-08-01

    The droop behaviors of two InGaN/GaN multiple-quantum-well blue-green light-emitting diodes grown on c-plane sapphires with different In content are investigated. The higher-In-content sample exhibits a lower efficiency, followed by a more significant droop as current increases in comparison with the lower-In-content diode. However, it is found that for both samples their efficiency reduction trend with increasing carrier density is nearly the same. Combining with the recombination rate equations, an analysis reveals that at the same injection current level, the carrier density in the higher-In-content quantum wells which have stronger polarization effect is larger due to the smaller bimolecular recombination coefficient, resulting in a more significant droop with current. Therefore, a study on the dependence of efficiency on carrier density can provide a clear elucidation to the physical mechanism of the efficiency droop behavior.

  18. Temporally and spatially resolved photoluminescence investigation of (112{sup ¯}2) semi-polar InGaN/GaN multiple quantum wells grown on nanorod templates

    SciTech Connect

    Liu, B.; Smith, R.; Athanasiou, M.; Yu, X.; Bai, J.; Wang, T.

    2014-12-29

    By means of time-resolved photoluminescence (PL) and confocal PL measurements, temporally and spatially resolved optical properties have been investigated on a number of In{sub x}Ga{sub 1−x}N/GaN multiple-quantum-well (MQW) structures with a wide range of indium content alloys from 13% to 35% on (112{sup ¯}2) semi-polar GaN with high crystal quality, obtained through overgrowth on nanorod templates. With increasing indium content, the radiative recombination lifetime initially increases as expected, but decreases if the indium content further increases to 35%, corresponding to emission in the green spectral region. The reduced radiative recombination lifetime leads to enhanced optical performance for the high indium content MQWs as a result of strong exciton localization, which is different from the behaviour of c-plane InGaN/GaN MQWs, where quantum confined Stark effect plays a dominating role in emission process.

  19. Significantly improved luminescence properties of nitrogen-polar (0001̅) InGaN multiple quantum wells grown by pulsed metalorganic chemical vapor deposition.

    PubMed

    Song, Jie; Chang, Shih-Pang; Zhang, Cheng; Hsu, Ta-Cheng; Han, Jung

    2015-01-14

    We have demonstrated nitrogen-polar (0001̅) (N-polar) InGaN multiple quantum wells (MQWs) with significantly improved luminescence properties prepared by pulsed metalorganic chemical vapor deposition. During the growth of InGaN quantum wells, Ga and N sources are alternately injected into the reactor to alter the surface stoichiometry. The influence of flow duration in pulsed growth mode on the luminescence properties has been studied. We find that use of pulsed-mode creates a high density of hexagonal mounds with an increased InGaN growth rate and enhanced In composition around screw-type dislocations, resulting in remarkably improved luminescence properties. The mechanism of enhanced luminescence caused by the hexagonal mounds is discussed. Luminescence properties of N-polar InGaN MQWs grown with short pulse durations have been significantly improved in comparison with a sample grown by a conventional continuous growth method.

  20. Improved Carbohydrate Structure Generalization Scheme for (1)H and (13)C NMR Simulations.

    PubMed

    Kapaev, Roman R; Toukach, Philip V

    2015-07-21

    The improved Carbohydrate Structure Generalization Scheme has been developed for the simulation of (13)C and (1)H NMR spectra of oligo- and polysaccharides and their derivatives, including those containing noncarbohydrate constituents found in natural glycans. Besides adding the (1)H NMR calculations, we improved the accuracy and performance of prediction and optimized the mathematical model of the precision estimation. This new approach outperformed other methods of chemical shift simulation, including database-driven, neural net-based, and purely empirical methods and quantum-mechanical calculations at high theory levels. It can process structures with rarely occurring and noncarbohydrate constituents unsupported by the other methods. The algorithm is transparent to users and allows tracking used reference NMR data to original publications. It was implemented in the Glycan-Optimized Dual Empirical Spectrum Simulation (GODESS) web service, which is freely available at the platform of the Carbohydrate Structure Database (CSDB) project ( http://csdb.glycoscience.ru). PMID:26087011

  1. Parameter maps of 1H residual dipolar couplings in tendon under mechanical load

    NASA Astrophysics Data System (ADS)

    Fechete, R.; Demco, D. E.; Blümich, B.

    2003-11-01

    Proton multipolar spin states associated with dipolar encoded longitudinal magnetization (DELM) and double-quantum (DQ) coherences of bound water are investigated for bovine and sheep Achilles tendon under mechanical load. DELM decay curves and DQ buildup and decay curves reveal changes of the 1H residual dipolar couplings for tendon at rest and under local compression forces. The multipolar spin states are used to design dipolar contrast filters for NMR 1H images of heterogeneous tendon. Heterogeneities in tendon samples were artificially generated by local compression parallel and perpendicular to the tendon plug axis. Quotient images obtained from DQ-filtered images by matched and mismatched excitation/reconversion periods are encoded only by the residual dipolar couplings. Semi-quantitative parameter maps of the residual dipolar couplings of bound water were obtained from these quotient images using a reference elastomer sample. This method can be used to quantify NMR imaging of injured ordered tissues.

  2. Modulation optical spectroscopy of excitons in structures with GaAs multiple quantum wells separated by tunneling-nontransparent barriers

    SciTech Connect

    Chaldyshev, V. V. Shkol'nik, A. S.; Evtikhiev, V. P.; Holden, T.

    2007-12-15

    Contactless optical electroreflectance measurements at different temperatures are used to study exciton states in a structure involving a periodic system of 36 GaAs quantum wells separated by tunneling-nontransparent AlGaAs barriers with thickness 104 nm. In the structure, the width of 32 of the quantum wells is 15 nm, while the width of the remaining four quantum wells, numbered 5, 14, 23, and 32, is 20 nm. The periodicity of the structure corresponds to the Bragg interference condition at the excitonic frequency in quantum wells at the angle of incidence of light {approx}43 deg. From the quantitative analysis of the shape of the contactless electroreflectance line, the parameters of the exciton ground states and excited states are determined for both types of quantum wells. It is established that, for the system of four 20-nm-wide quantum wells separated by a distance of 830 nm, the size-quantization energy in the ground state is 8.4 {+-} 0.1 meV, and the parameter of broadening of the excitonic peak is 1.8 {+-} 0.1 meV at 17 K and increases with temperature up to 2.0 {+-} 0.1 meV at 80 K. For the system of 32 wells with the width 15 nm, the quantum confinement energy in the ground state is 14.9 {+-} 0.1 meV, and the parameter of broadening of the excitonic peak is 2.2 {+-} 0.1 and 2.6 {+-} 0.1 meV at 17 and 80 K, respectively. The possible causes of radiative and nonradiative broadening of exciton states in the systems are discussed.

  3. Teaching 1H NMR Spectrometry Using Computer Modeling.

    ERIC Educational Resources Information Center

    Habata, Yoichi; Akabori, Sadatoshi

    2001-01-01

    Molecular modeling by computer is used to display stereochemistry, molecular orbitals, structure of transition states, and progress of reactions. Describes new ideas for teaching 1H NMR spectroscopy using computer modeling. (Contains 12 references.) (ASK)

  4. Dependence of the photovoltaic performance of pseudomorphic InGaN/GaN multiple-quantum-well solar cells on the active region thickness

    NASA Astrophysics Data System (ADS)

    Mukhtarova, Anna; Valdueza-Felip, Sirona; Redaelli, Luca; Durand, Christophe; Bougerol, Catherine; Monroy, Eva; Eymery, Joël

    2016-04-01

    We investigate the photovoltaic performance of pseudomorphic In0.1Ga0.9N/GaN multiple-quantum well (MQW) solar cells as a function of the total active region thickness. An increase in the number of wells from 5 to 40 improves the short-circuit current and the open-circuit voltage, resulting in a 10-fold enhancement of the overall conversion efficiency. Further increasing the number of wells leads to carrier collection losses due to an incomplete depletion of the active region. Capacitance-voltage measurements point to a hole diffusion length of 48 nm in the MQW region.

  5. The difference in efficiency droop behaviors of two InGaN/GaN multiple-quantum-well green light-emitting diodes with modified structural parameters

    NASA Astrophysics Data System (ADS)

    Liu, W.; Zhao, D. G.; Jiang, D. S.; Chen, P.; Liu, Z. S.; Zhu, J. J.; Li, X.; Liang, F.; Liu, J. P.; Zhang, S. M.; Yang, H.; Zhang, Y. T.; Du, G. T.

    2015-12-01

    Two different sets of structural parameters are used to fabricate InGaN/GaN multiple quantum well (MQW) green light-emitting diodes (LEDs) which have nearly the same light emission wavelength. It is found that, compared with the thin-well but high-In-content MQW LED, the efficiency droop of InGaN LED with the thick-well but low-In-content MQWs is less significant. Such reduction of droop may be attributed to the less electron overflowing, larger volume of active region and weaker delocalization effect, induced by the thicker well layers and lower In content in the latter.

  6. Optical and spin properties of localized and free excitons in GaBi x As1-x /GaAs multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Balanta, M. A. G.; Kopaczek, J.; Orsi Gordo, V.; Santos, B. H. B.; Rodrigues, A. D.; Galeti, H. V. A.; Richards, R. D.; Bastiman, F.; David, J. P. R.; Kudrawiec, R.; Galvão Gobato, Y.

    2016-09-01

    Raman spectroscopy and magneto-photoluminescence measurements under high magnetic fields were used to investigate the optical and spin properties of GaBiAs/GaAs multiple quantum wells (MQWs). An anomalous negative diamagnetic energy shift was observed at higher temperatures and higher laser intensities, which was associated to a sign inversion of hole effective mass in these structures. In addition, an enhancement of the polarization degree with decreasing of laser intensity was observed (experimental condition where the emission is dominated by localized excitons). This effect was explained by changes of spin relaxation and exciton recombination times due to exciton localization by disorder.

  7. Optical and spin properties of localized and free excitons in GaBi x As1‑x /GaAs multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Balanta, M. A. G.; Kopaczek, J.; Orsi Gordo, V.; Santos, B. H. B.; Rodrigues, A. D.; Galeti, H. V. A.; Richards, R. D.; Bastiman, F.; David, J. P. R.; Kudrawiec, R.; Galvão Gobato, Y.

    2016-09-01

    Raman spectroscopy and magneto-photoluminescence measurements under high magnetic fields were used to investigate the optical and spin properties of GaBiAs/GaAs multiple quantum wells (MQWs). An anomalous negative diamagnetic energy shift was observed at higher temperatures and higher laser intensities, which was associated to a sign inversion of hole effective mass in these structures. In addition, an enhancement of the polarization degree with decreasing of laser intensity was observed (experimental condition where the emission is dominated by localized excitons). This effect was explained by changes of spin relaxation and exciton recombination times due to exciton localization by disorder.

  8. Room-temperature operation of npn- AlGaInAs/InP multiple quantum well transistor laser emitting at 1.3-µm wavelength.

    PubMed

    Shirao, Mizuki; Sato, Takashi; Sato, Noriaki; Nishiyama, Nobuhiko; Arai, Shigehisa

    2012-02-13

    Room-temperature pulsed operation of a 1.3-µm wavelength transistor laser (TL), consisting of a buried heterostructure (BH) with an npn configuration and an AlGaInAs/InP multiple-quantum-well (MQW) active region, was successfully attained. A threshold base current of 18 mA (threshold emitter current of 150 mA) was obtained with a stripe width of 1.3 µm and a cavity length of 500 µm. The transistor activity as well as the lasing operation were achieved at the same time, which is essential for the high-speed operation of TLs. PMID:22418155

  9. A novel usage of hydrogen treatment to improve the indium incorporation and internal quantum efficiency of green InGaN/GaN multiple quantum wells simultaneously

    NASA Astrophysics Data System (ADS)

    Ren, Peng; Zhang, Ning; Xue, Bin; Liu, Zhe; Wang, Junxi; Li, Jinmin

    2016-05-01

    The challenge for improving the internal quantum efficiency (IQE) of InGaN-based light emitting diodes (LED) in the green light range is referred to as the ‘green gap’. However the IQE of InGaN-based LEDs often drops when the emission peak wavelength is adjusted through reducing the growth temperature. Although hydrogen (H2) can improve surface morphology, it reduces the indium incorporation significantly. Here, a novel usage of H2 treatment on the GaN barrier before the InGaN quantum well is demonstrated to enhance indium incorporation efficiency and improve the IQE simultaneously for the first time. The mechanism behind it is systematically investigated and explained in detail. The possible reason for this phenomenon is the strain relieving function by the undulant GaN barrier surface after H2 treatment. Test measurements show that applying 0.2 min H2 treatment on the barrier would reduce defects and enhance indium incorporation, which would improve the localization effect and finally lead to a higher IQE. Although further increasing the treatment time to 0.4 min incorporates more indium atoms, the IQE decreases at the expense of more defects and a larger polarization field than the 0.2 min sample.

  10. Doubly Selective Multiple Quantum Chemical Shift Imaging and T1 Relaxation Time Measurement of Glutathione (GSH) in the Human Brain In Vivo

    PubMed Central

    Choi, In-Young; Lee, Phil

    2012-01-01

    Mapping of a major antioxidant, glutathione (GSH), was achieved in the human brain in vivo using a doubly selective multiple quantum filtering based chemical shift imaging (CSI) of GSH at 3 T. Both in vivo and phantom tests in CSI and single voxel measurements were consistent with excellent suppression of overlapping signals from creatine, γ-Amino butyric acid (GABA) and macromolecules. The GSH concentration in the fronto-parietal region was 1.20 ± 0.16 µmol/g (mean ± SD, n = 7). The longitudinal relaxation time (T1) of GSH in the human brain was 397 ± 44 ms (mean ± SD, n = 5), which was substantially shorter than those of other metabolites. This GSH CSI method permits us to address regional differences of GSH in the human brain with conditions where oxidative stress has been implicated, including multiple sclerosis, aging and neurodegenerative diseases. PMID:22730142

  11. Following Metabolism in Living Microorganisms by Hyperpolarized (1)H NMR.

    PubMed

    Dzien, Piotr; Fages, Anne; Jona, Ghil; Brindle, Kevin M; Schwaiger, Markus; Frydman, Lucio

    2016-09-21

    Dissolution dynamic nuclear polarization (dDNP) is used to enhance the sensitivity of nuclear magnetic resonance (NMR), enabling monitoring of metabolism and specific enzymatic reactions in vivo. dDNP involves rapid sample dissolution and transfer to a spectrometer/scanner for subsequent signal detection. So far, most biologically oriented dDNP studies have relied on hyperpolarizing long-lived nuclear spin species such as (13)C in small molecules. While advantages could also arise from observing hyperpolarized (1)H, short relaxation times limit the utility of prepolarizing this sensitive but fast relaxing nucleus. Recently, it has been reported that (1)H NMR peaks in solution-phase experiments could be hyperpolarized by spontaneous magnetization transfers from bound (13)C nuclei following dDNP. This work demonstrates the potential of this sensitivity-enhancing approach to probe the enzymatic process that could not be suitably resolved by (13)C dDNP MR. Here we measured, in microorganisms, the action of pyruvate decarboxylase (PDC) and pyruvate formate lyase (PFL)-enzymes that catalyze the decarboxylation of pyruvate to form acetaldehyde and formate, respectively. While (13)C NMR did not possess the resolution to distinguish the starting pyruvate precursor from the carbonyl resonances in the resulting products, these processes could be monitored by (1)H NMR at 500 MHz. These observations were possible in both yeast and bacteria in minute-long kinetic measurements where the hyperpolarized (13)C enhanced, via (13)C → (1)H cross-relaxation, the signals of protons binding to the (13)C over the course of enzymatic reactions. In addition to these spontaneous heteronuclear enhancement experiments, single-shot acquisitions based on J-driven (13)C → (1)H polarization transfers were also carried out. These resulted in higher signal enhancements of the (1)H resonances but were not suitable for multishot kinetic studies. The potential of these (1)H-based approaches for

  12. Molecular structure, spectral investigation (1H NMR, 13C NMR, UV-Visible, FT-IR, FT-Raman), NBO, intramolecular hydrogen bonding, chemical reactivity and first hyperpolarizability analysis of formononetin [7-hydroxy-3(4-methoxyphenyl)chromone]: A quantum chemical study

    NASA Astrophysics Data System (ADS)

    Srivastava, Anubha; Mishra, Rashmi; Kumar, Sudhir; Dev, Kapil; Tandon, Poonam; Maurya, Rakesh

    2015-03-01

    Formononetin [7-hydroxy-3(4-methoxyphenyl)chromone or 4‧-methoxy daidzein] is a soy isoflavonoid that is found abundantly in traditional Chinese medicine Astragalus mongholicus (Bunge) and Trifolium pretense L. (red clover), and in an Indian medicinal plant, Butea (B.) monosperma. Crude extract of B.monosperma is used for rapid healing of fracture in Indian traditional medicine. In this study, a combined theoretical and experimental approach is used to study the properties of formononetin. The optimized geometry was calculated by B3LYP method using 6-311++G(d,p) as a large basis set. The FT-Raman and FT-IR spectra were recorded in the solid phase, and interpreted in terms of potential energy distribution (PED) analysis. Density functional theory (DFT) is applied to explore the nonlinear optical properties of the molecule. Good consistency is found between the calculated results and observed data for the electronic absorption, IR and Raman spectra. The solvent effects have been calculated using time-dependent density functional theory in combination with the integral equation formalism polarized continuum model, and the results are in good agreement with observed measurements. The double well potential energy curve of the molecule about the respective bonds, have been plotted, as obtained from DFT/6-31G basis set. The computational results diagnose the most stable conformer of formononetin. The HOMO-LUMO energy gap of possible conformers has been calculated for comparing their chemical activity. Chemical reactivity has been measured by reactivity descriptors and molecular electrostatic potential surface (MEP). The 1H and 13C NMR chemical shifts of the molecule were calculated by the Gauge including atomic orbital (GIAO) method. Furthermore, the role of CHsbnd O intramolecular hydrogen bond in the stability of molecule is investigated on the basis of the results of topological properties of AIM theory and NBO analysis. The calculated first hyperpolarizability shows

  13. Syntheses, structures, and 1H, 13C{1H} and 119Sn{1H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds

    DOE PAGES

    Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.

    2015-08-21

    The synthesis and full characterization, including Nuclear Magnetic Resonance (NMR) data (1H, 13C{1H} and 119Sn{1H}), for a series of Me3SnX (X = O-2,6-tBu2C6H3 (1), (Me3Sn)N(2,6-iPr2C6H3) (3), NH-2,4,6-tBu3C6H2 (4), N(SiMe3)2 (5), NEt2, C5Me5 (6), Cl, Br, I, and SnMe3) compounds in benzene-d6, toluene-d8, dichloromethane-d2, chloroform-d1, acetonitrile-d3, and tetrahydrofuran-d8 are reported. The X-ray crystal structures of Me3Sn(O-2,6-tBu2C6H3) (1), Me3Sn(O-2,6-iPr2C6H3) (2), and (Me3Sn)(NH-2,4,6-tBu3C6H2) (4) are also presented. As a result, these compiled data complement existing literature data and ease the characterization of these compounds by routine NMR experiments.

  14. Novel magnetic Fe3O4@CdSe composite quantum dot-based electrochemiluminescence detection of thrombin by a multiple DNA cycle amplification strategy.

    PubMed

    Jie, Guifen; Yuan, Jinxin

    2012-03-20

    A novel small magnetic electrochemiluminescent Fe(3)O(4)@CdSe composite quantum dot (QD) was facilely prepared and successfully applied to sensitive electrochemiluminescence (ECL) detection of thrombin by a multiple DNA cycle amplification strategy for the first time. The as-prepared composite QDs feature intense ECL, excellent magnetism, strong fluorescence, and favorable biocompatibility, which offers promising advantages for ECL biosensing. ECL of the composite QDs was efficiently quenched by gold nanoparticles (NPs). Taking advantages of the unique and attractive ECL and magnetic characteristics of the composite QDs, a novel DNA-amplified detection method based on ECL quenching was thus developed for a sensitive assay of thrombin. More importantly, the DNA devices by cleavage reaction were cycled multiple rounds, which greatly amplified the ECL signal and much improve the detection sensitivity. This flexible biosensing system exhibits not only high sensitivity and specificity but also excellent performance in real human serum assay. The present work opens a promising approach to develop magnetic quantum dot-based amplified ECL bioassays, which has wider potential application with more favorable analytical performances than other ECL reagent-based systems. Moreover, the composite QDs are suitable for long-term fluorescent cellular imaging, which also highlights the promising directions for further development of QD-based in vitro and in vivo imaging materials.

  15. Nanometer-scale monitoring of quantum-confined Stark effect and emission efficiency droop in multiple GaN/AlN quantum disks in nanowires

    NASA Astrophysics Data System (ADS)

    Zagonel, L. F.; Tizei, L. H. G.; Vitiello, G. Z.; Jacopin, G.; Rigutti, L.; Tchernycheva, M.; Julien, F. H.; Songmuang, R.; Ostasevicius, T.; de la Peña, F.; Ducati, C.; Midgley, P. A.; Kociak, M.

    2016-05-01

    We report on a detailed study of the intensity dependent optical properties of individual GaN/AlN quantum disks (QDisks) embedded into GaN nanowires (NW). The structural and optical properties of the QDisks were probed by high spatial resolution cathodoluminescence (CL) in a scanning transmission electron microscope (STEM). By exciting the QDisks with a nanometric electron beam at currents spanning over three orders of magnitude, strong nonlinearities (energy shifts) in the light emission are observed. In particular, we find that the amount of energy shift depends on the emission rate and on the QDisk morphology (size, position along the NW and shell thickness). For thick QDisks (>4 nm), the QDisk emission energy is observed to blueshift with the increase of the emission intensity. This is interpreted as a consequence of the increase of carriers density excited by the incident electron beam inside the QDisks, which screens the internal electric field and thus reduces the quantum confined Stark effect (QCSE) present in these QDisks. For thinner QDisks (<3 nm ), the blueshift is almost absent in agreement with the negligible QCSE at such sizes. For QDisks of intermediate sizes there exists a current threshold above which the energy shifts, marking the transition from unscreened to partially screened QCSE. From the threshold value we estimate the lifetime in the unscreened regime. These observations suggest that, counterintuitively, electrons of high energy can behave ultimately as single electron-hole pair generators. In addition, when we increase the current from 1 to 10 pA the light emission efficiency drops by more than one order of magnitude. This reduction of the emission efficiency is a manifestation of the "efficiency droop" as observed in nitride-based 2D light emitting diodes, a phenomenon tentatively attributed to the Auger effect.

  16. Using Magnetic Coupling to Improve the (1)H/(2)H Double Tuned Circuit.

    PubMed

    Taber, Bob; Zens, Albert

    2015-10-01

    We report in this paper an analysis of double-tuned (1)H/(2)H circuits that are capacitively or inductively matched to 50 Ω ports. In this analysis we use a novel new parameter called the circuit fill factor (CFF). It provides a means of characterizing the performance degradation associated with additional inductors in the circuit in addition to circuit losses. This parameter allows for quick and insightful analysis of multiple tuned circuits for efficiency. It is also shown that magnetically coupled double-tuned circuits are less prone to unwanted spurious resonances due to their general symmetry which eliminates multiple ground paths in the circuit.

  17. 27Al-->1H cross-polarization in aluminosilicates.

    PubMed

    Kolodziejski, W; Corma, A

    1994-06-01

    Solid-state nuclear magnetic resonance (NMR) cross-polarization (CP) from 27Al to 1H was set on kaolinite, verified by a variable-contact time experiment and applied to ultrastable zeolite Y. The technique is useful for the selective NMR observation of AlOH sites in aluminosilicates, especially those from extraframework species in zeolites.

  18. Gas phase synthesis and reactivity of Agn+ and Ag(n-1)H+ cluster cations.

    PubMed

    Khairallah, George N; O'Hair, Richard A J

    2005-08-21

    Multi-stage mass spectrometry (MSn) on [(M + Ag - H)x + Ag]+ precursor ions (where M = an amino acid such as glycine or N,N-dimethylglycine) results in the formation of stable silver (Ag3+, Ag5+ and Ag7+) and silver hydride (Ag2H+, Ag4H+ and Ag6H+) cluster cations in the gas phase. Deuterium labelling studies reveal that the source of the hydride can be either from the alpha carbon or from one of the heteroatoms. When M = glycine, the silver cyanide clusters Ag4CN+ and Ag5(H,C,N)+ are also observed. Collision induced dissociation (CID) and DFT calculations were carried out on each of these clusters to shed some light on their possible structures. CID of the Agn+ and Ag(n-1)H+ clusters generally results in the formation of the same Ag(n-2)+ product ions via the loss of Ag2 and AgH respectively. DFT calculations also reveal that the Agn+ and Ag(n-1)H+ clusters have similar structural features and that the Ag(n-1)H+ clusters are only slightly less stable than their all silver counterparts. In addition, Agn+ and Ag(n-1)H+ clusters react with 2-propanol and 2-butylamine via similar pathways, with multiple ligand addition occurring and a coupled deamination-dehydration reaction occurring upon condensation of a third (for Ag2H+) or a fourth (for all other silver clusters) 2-butylamine molecule onto the clusters. Taken together, these results suggest that the Agn+ and Ag(n-1)H+ clusters are structurally related via the replacement of a silver atom with a hydrogen atom. This replacement does not dramatically alter the cluster stability or its unimolecular or bimolecular chemistry with the 2-propanol and 2-butylamine reagents.

  19. Mutations in the tail domain of DYNC1H1 cause dominant spinal muscular atrophy

    PubMed Central

    Harms, M.B.; Ori-McKenney, K.M.; Scoto, M.; Tuck, E.P.; Bell, S.; Ma, D.; Masi, S.; Allred, P.; Al-Lozi, M.; Reilly, M.M.; Miller, L.J.; Jani-Acsadi, A.; Pestronk, A.; Shy, M.E.; Muntoni, F.; Vallee, R.B.

    2012-01-01

    Objective: To identify the gene responsible for 14q32-linked dominant spinal muscular atrophy with lower extremity predominance (SMA-LED, OMIM 158600). Methods: Target exon capture and next generation sequencing was used to analyze the 73 genes in the 14q32 linkage interval in 3 SMA-LED family members. Candidate gene sequencing in additional dominant SMA families used PCR and pooled target capture methods. Patient fibroblasts were biochemically analyzed. Results: Regional exome sequencing of all candidate genes in the 14q32 interval in the original SMA-LED family identified only one missense mutation that segregated with disease state—a mutation in the tail domain of DYNC1H1 (I584L). Sequencing of DYNC1H1 in 32 additional probands with lower extremity predominant SMA found 2 additional heterozygous tail domain mutations (K671E and Y970C), confirming that multiple different mutations in the same domain can cause a similar phenotype. Biochemical analysis of dynein purified from patient-derived fibroblasts demonstrated that the I584L mutation dominantly disrupted dynein complex stability and function. Conclusions: We demonstrate that mutations in the tail domain of the heavy chain of cytoplasmic dynein (DYNC1H1) cause spinal muscular atrophy and provide experimental evidence that a human DYNC1H1 mutation disrupts dynein complex assembly and function. DYNC1H1 mutations were recently found in a family with Charcot-Marie-Tooth disease (type 2O) and in a child with mental retardation. Both of these phenotypes show partial overlap with the spinal muscular atrophy patients described here, indicating that dynein dysfunction is associated with a range of phenotypes in humans involving neuronal development and maintenance. PMID:22459677

  20. Site-resolved multiple-quantum filtered correlations and distance measurements by magic-angle spinning NMR: Theory and applications to spins with weak to vanishing quadrupolar couplings.

    PubMed

    Eliav, U; Haimovich, A; Goldbourt, A

    2016-01-14

    We discuss and analyze four magic-angle spinning solid-state NMR methods that can be used to measure internuclear distances and to obtain correlation spectra between a spin I = 1/2 and a half-integer spin S > 1/2 having a small quadrupolar coupling constant. Three of the methods are based on the heteronuclear multiple-quantum and single-quantum correlation experiments, that is, high rank tensors that involve the half spin and the quadrupolar spin are generated. Here, both zero and single-quantum coherence of the half spins are allowed and various coherence orders of the quadrupolar spin are generated, and filtered, via active recoupling of the dipolar interaction. As a result of generating coherence orders larger than one, the spectral resolution for the quadrupolar nucleus increases linearly with the coherence order. Since the formation of high rank tensors is independent of the existence of a finite quadrupolar interaction, these experiments are also suitable to materials in which there is high symmetry around the quadrupolar spin. A fourth experiment is based on the initial quadrupolar-driven excitation of symmetric high order coherences (up to p = 2S, where S is the spin number) and subsequently generating by the heteronuclear dipolar interaction higher rank (l + 1 or higher) tensors that involve also the half spins. Due to the nature of this technique, it also provides information on the relative orientations of the quadrupolar and dipolar interaction tensors. For the ideal case in which the pulses are sufficiently strong with respect to other interactions, we derive analytical expressions for all experiments as well as for the transferred echo double resonance experiment involving a quadrupolar spin. We show by comparison of the fitting of simulations and the analytical expressions to experimental data that the analytical expressions are sufficiently accurate to provide experimental (7)Li-(13)C distances in a complex of lithium, glycine, and water. Discussion

  1. Multimode Raman light-atom interface in warm atomic ensemble as multiple three-mode quantum operations

    NASA Astrophysics Data System (ADS)

    Parniak, Michał; Pęcak, Daniel; Wasilewski, Wojciech

    2016-11-01

    We analyse the properties of a Raman quantum light-atom interface in long atomic ensemble and its applications as a quantum memory or two-mode squeezed state generator. We consider the weak-coupling regime and include both Stokes and anti-Stokes scattering and the effects of Doppler broadening in buffer gas assuming frequent velocity-averaging collisions. We find the Green functions describing multimode transformation from input to output fields of photons and atomic excitations. Proper mode basis is found via singular value decomposition for short interaction times. It reveals that triples of modes are coupled by a transformation equivalent to a combination of two beamsplitters and a two-mode squeezing operation. We analyse the possible transformations on an example of warm rubidium-87 vapour. The model we present bridges the gap between the Stokes only and anti-Stokes only interactions providing simple, universal description in a temporally and longitudinally multimode situation. Our results also provide an easy way to find an evolution of the states in a Schrödinger picture thus facilitating understanding and design.

  2. On-chip electrochemical detection of CdS quantum dots using normal and multiple recycling flow through modes.

    PubMed

    Medina-Sánchez, Mariana; Miserere, Sandrine; Marín, Sergio; Aragay, Gemma; Merkoçi, Arben

    2012-05-01

    A flexible hybrid polydimethylsiloxane (PDMS)-polycarbonate (PC) microfluidic chip with integrated screen printed electrodes (SPE) was fabricated and applied for electrochemical quantum dots (QDs) detection. The developed device combines the advantages of flexible microfluidic chips, such as their low cost, the possibility to be disposable and amenable to mass production, with the advantages of electrochemistry for its facility of integration and the possibility to miniaturize the analytical device. Due to the interest in biosensing applications in general and particularly the great demand for labelling alternatives in affinity biosensors, the electrochemistry of cadmium sulfide quantum dots (CdS QDs) is evaluated. Square wave anodic stripping voltammetry (SWASV) is the technique used due to its sensitivity and low detection limits that can be achieved. The electrochemical as well as the microfluidic parameters of the developed system are optimized. The detection of CdS QDs in the range between 50 to 8000 ng mL(-1) with a sensitivity of 0.0009 μA/(ng mL(-1)) has been achieved. In addition to the single in-chip flow through measurements, the design of a recirculation system with the aim of achieving lower detection limits using reduced volumes (25 μL) of sample was proposed as a proof-of-concept.

  3. Radiative and Non-Radiative Lifetime Engineering of Quantum Dots in Multiple Solvents by Surface Atom Stoichiometry and Ligands

    PubMed Central

    Omogo, Benard; Aldana, Jose F.; Heyes, Colin D.

    2013-01-01

    CdTe quantum dots have unique characteristics that are promising for applications in photoluminescence, photovoltaics or optoelectronics. However, wide variations of the reported quantum yields exist and the influence of ligand-surface interactions that are expected to control the excited state relaxation processes remains unknown. It is important to thoroughly understand the fundamental principles underlying these relaxation processes to tailor the QDs properties to their application. Here, we systematically investigate the roles of the surface atoms, ligand functional groups and solvent on the radiative and non-radiative relaxation rates. Combining a systematic synthetic approach with X-ray photoelectron, quantitative FT-IR and time-resolved visible spectroscopies, we find that CdTe QDs can be engineered with average radiative lifetimes ranging from nanoseconds up to microseconds. The non-radiative lifetimes are anticorrelated to the radiative lifetimes, although they show much less variation. The density, nature and orientation of the ligand functional groups and the dielectric constant of the solvent play major roles in determining charge carrier trapping and excitonic relaxation pathways. These results are used to propose a coupled dependence between hole-trapping on Te atoms and strong ligand coupling, primarily via Cd atoms, that can be used to engineer both the radiative and non-radiative lifetimes. PMID:23543893

  4. Improved efficiency of InGaN/GaN-based multiple quantum well solar cells by reducing contact resistance

    NASA Astrophysics Data System (ADS)

    Song, Jun-Hyuk; Oh, Joon-Ho; Shim, Jae-Phil; Min, Jung-Hong; Lee, Dong-Seon; Seong, Tae-Yeon

    2012-08-01

    We report on the improvement in the performance of InGaN/GaN multi-quantum well-based solar cells by the introduction of a Cu-doped indium oxide (CIO) layer at the interface between indium tin oxide (ITO) p-electrode and p-GaN. The solar cell fabricated with the 3 nm-sample exhibits an external quantum efficiency of 29.8% (at a peak wavelength of 376 nm) higher than those (25.2%) of the cell with the ITO-only sample. The use of the 3-nm-thick CIO layer gives higher short circuit current density (0.72 mA/cm2) and fill factor (78.85%) as compared to those (0.65 mA/cm2 and 74.08%) of the ITO only sample. Measurements show that the conversion efficiency of the solar cells with the ITO-only sample and the 3 nm-sample is 1.12% and 1.30%, respectively. Based on their electrical and optical properties, the dependence of the CIO interlayer thickness on the efficiency of solar cells is discussed.

  5. Multiple exciton generation induced enhancement of the photoresponse of pulsed-laser-ablation synthesized single-wall-carbon-nanotube/PbS-quantum-dots nanohybrids

    PubMed Central

    Ka, Ibrahima; Le Borgne, Vincent; Fujisawa, Kazunori; Hayashi, Takuya; Kim, Yoong Ahm; Endo, Morinobu; Ma, Dongling; El Khakani, My Ali

    2016-01-01

    The pulsed laser deposition method was used to decorate appropriately single wall carbon nanotubes (SWCNTs) with PbS quantum dots (QDs), leading to the formation of a novel class of SWCNTs/PbS-QDs nanohybrids (NHs), without resorting to any ligand engineering and/or surface functionalization. The number of laser ablation pulses (NLp) was used to control the average size of the PbS-QDs and their coverage on the SWCNTs’ surface. Photoconductive (PC) devices fabricated from these SWCNTs/PbS-QDs NHs have shown a significantly enhanced photoresponse, which is found to be PbS-QD size dependent. Wavelength-resolved photocurrent measurements revealed a strong photoconductivity of the NHs in the UV-visible region, which is shown to be due to multiple exciton generation (MEG) in the PbS-QDs. For the 6.5 nm-diameter PbS-QDs (with a bandgap (Eg) = 0.86 eV), the MEG contribution of the NHs based PC devices was shown to lead to a normalized internal quantum efficiency in excess of 300% for photon energies ≥4.5Eg. While the lowest MEG threshold in our NHs based PC devices is found to be of ~2.5Eg, the MEG efficiency reaches values as high as 0.9 ± 0.1. PMID:26830452

  6. Multiple exciton generation induced enhancement of the photoresponse of pulsed-laser-ablation synthesized single-wall-carbon-nanotube/PbS-quantum-dots nanohybrids

    NASA Astrophysics Data System (ADS)

    Ka, Ibrahima; Le Borgne, Vincent; Fujisawa, Kazunori; Hayashi, Takuya; Kim, Yoong Ahm; Endo, Morinobu; Ma, Dongling; El Khakani, My Ali

    2016-02-01

    The pulsed laser deposition method was used to decorate appropriately single wall carbon nanotubes (SWCNTs) with PbS quantum dots (QDs), leading to the formation of a novel class of SWCNTs/PbS-QDs nanohybrids (NHs), without resorting to any ligand engineering and/or surface functionalization. The number of laser ablation pulses (NLp) was used to control the average size of the PbS-QDs and their coverage on the SWCNTs’ surface. Photoconductive (PC) devices fabricated from these SWCNTs/PbS-QDs NHs have shown a significantly enhanced photoresponse, which is found to be PbS-QD size dependent. Wavelength-resolved photocurrent measurements revealed a strong photoconductivity of the NHs in the UV-visible region, which is shown to be due to multiple exciton generation (MEG) in the PbS-QDs. For the 6.5 nm-diameter PbS-QDs (with a bandgap (Eg) = 0.86 eV), the MEG contribution of the NHs based PC devices was shown to lead to a normalized internal quantum efficiency in excess of 300% for photon energies ≥4.5Eg. While the lowest MEG threshold in our NHs based PC devices is found to be of ~2.5Eg, the MEG efficiency reaches values as high as 0.9 ± 0.1.

  7. Electric-field dependence of electroreflectance and photocurrent spectra at visible wavelengths in MOVPE-grown InAlGaP multiple strained quantum-well structures

    SciTech Connect

    Fritz, I.J.; Blum, O.; Schneider, R.P. Jr.; Howard, A.J.; Follstaedt, D.M.

    1993-12-31

    The authors present electric-field dependent electroreflectance and photocurrent spectra of visible-bandgap In{sub x}(Al{sub y}Ga{sub 1{minus}y}){sub 1{minus}x}P/In{sub x{prime}}(Al{sub y{prime}}Ga{sub 1{minus}y{prime}}){sub 1{minus}x{prime}}P multiple-quantum-well (MQW) structures. These structures, grown by metal-organic vapor phase epitaxy on 6{degrees}-misoriented (100) GaAs substrates, have undoped MQWs sandwiched between doped In{sub 0.5}Al{sub 0.5}P layers, forming p-i-n diodes. Quantum-well compositions in the range 0.46{le}x{le}0.52 and 0{le}y{le}0.4, corresponding to bandgaps in the red to yellow-green range, were used. The Stark shifts in these various samples were measured and found to depend on the details of the Mg p-type doping profile, confirming important diffusion effects, in agreement with secondary ion mass spectrometry and capacitance-voltage data. The results show that these new materials are promising for visible-wavelength optical modulator applications.

  8. Enhanced performance of InGaN/GaN multiple-quantum-well light-emitting diodes grown on nanoporous GaN layers.

    PubMed

    Lee, Kwang Jae; Kim, Sang-Jo; Kim, Jae-Joon; Hwang, Kyungwook; Kim, Sung-Tae; Park, Seong-Ju

    2014-06-30

    We demonstrate the high efficiency of InGaN/GaN multiple quantum wells (MQWs) light-emitting diode (LED) grown on the electrochemically etched nanoporous (NP) GaN. The photoluminescence (PL) and Raman spectra show that the LEDs with NP GaN have a strong carrier localization effect resulting from the relaxed strain and reduced defect density in MQWs. Also, the finite-difference time-domain (FDTD) simulation shows that the light extraction efficiency (LEE) is increased by light scattering effect by nanopores. The output power of LED with NP GaN is increased up to 123.1% at 20 mA, compared to that of LED without NP GaN. The outstanding performance of LEDs with NP GaN is attributed to the increased internal quantum efficiency (IQE) by the carrier localization in the indium-rich clusters, low defect density in MQWs, and increased LEE owing to the light scattering in NP GaN.

  9. Toward structural dynamics: protein motions viewed by chemical shift modulations and direct detection of C'N multiple-quantum relaxation.

    PubMed

    Mori, Mirko; Kateb, Fatiha; Bodenhausen, Geoffrey; Piccioli, Mario; Abergel, Daniel

    2010-03-17

    Multiple quantum relaxation in proteins reveals unexpected relationships between correlated or anti-correlated conformational backbone dynamics in alpha-helices or beta-sheets. The contributions of conformational exchange to the relaxation rates of C'N coherences (i.e., double- and zero-quantum coherences involving backbone carbonyl (13)C' and neighboring amide (15)N nuclei) depend on the kinetics of slow exchange processes, as well as on the populations of the conformations and chemical shift differences of (13)C' and (15)N nuclei. The relaxation rates of C'N coherences, which reflect concerted fluctuations due to slow chemical shift modulations (CSMs), were determined by direct (13)C detection in diamagnetic and paramagnetic proteins. In well-folded proteins such as lanthanide-substituted calbindin (CaLnCb), copper,zinc superoxide dismutase (Cu,Zn SOD), and matrix metalloproteinase (MMP12), slow conformational exchange occurs along the entire backbone. Our observations demonstrate that relaxation rates of C'N coherences arising from slow backbone dynamics have positive signs (characteristic of correlated fluctuations) in beta-sheets and negative signs (characteristic of anti-correlated fluctuations) in alpha-helices. This extends the prospects of structure-dynamics relationships to slow time scales that are relevant for protein function and enzymatic activity.

  10. SEMICONDUCTOR DEVICES: Luminescence distribution and hole transport in asymmetric InGaN multiple-quantum well light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Xiaoli, Ji; Fuhua, Yang; Junxi, Wang; Ruifei, Duan; Kai, Ding; Yiping, Zeng; Guohong, Wang; Jinmin, Li

    2010-09-01

    Asymmetric InGaN/GaN multiple-quantum well (MQW) light-emitting diodes were fabricated to expose the luminescence distribution and explore the hole transport. Under electrical injection, the sample with a wNQW active region in which the first QW nearest the p-side (QW1) is wider than the subsequent QWs shows a single long-wavelength light-emission peak arising from QW1. The inverse nWQW sample with a narrow QW1 shows one short-wavelength peak and one long-wavelength peak emitted separately from QW1 and the subsequent QWs. Increasing the barrier thickness between QW1 and the second QW (QWB1) in the nWQW structure, the long-wavelength peak is suppressed and the total light-emission intensity decreases. It was concluded that the nWQW and thin-QWB1 structure can improve the hole transport, and hence enhance the light-emission from the subsequent QWs and increase the internal quantum efficiency.

  11. Multiple exciton generation induced enhancement of the photoresponse of pulsed-laser-ablation synthesized single-wall-carbon-nanotube/PbS-quantum-dots nanohybrids.

    PubMed

    Ka, Ibrahima; Le Borgne, Vincent; Fujisawa, Kazunori; Hayashi, Takuya; Kim, Yoong Ahm; Endo, Morinobu; Ma, Dongling; El Khakani, My Ali

    2016-01-01

    The pulsed laser deposition method was used to decorate appropriately single wall carbon nanotubes (SWCNTs) with PbS quantum dots (QDs), leading to the formation of a novel class of SWCNTs/PbS-QDs nanohybrids (NHs), without resorting to any ligand engineering and/or surface functionalization. The number of laser ablation pulses (NLp) was used to control the average size of the PbS-QDs and their coverage on the SWCNTs' surface. Photoconductive (PC) devices fabricated from these SWCNTs/PbS-QDs NHs have shown a significantly enhanced photoresponse, which is found to be PbS-QD size dependent. Wavelength-resolved photocurrent measurements revealed a strong photoconductivity of the NHs in the UV-visible region, which is shown to be due to multiple exciton generation (MEG) in the PbS-QDs. For the 6.5 nm-diameter PbS-QDs (with a bandgap (Eg) = 0.86 eV), the MEG contribution of the NHs based PC devices was shown to lead to a normalized internal quantum efficiency in excess of 300% for photon energies ≥4.5Eg. While the lowest MEG threshold in our NHs based PC devices is found to be of ~2.5Eg, the MEG efficiency reaches values as high as 0.9 ± 0.1. PMID:26830452

  12. InN/InGaN multiple quantum wells emitting at 1.5 {mu}m grown by molecular beam epitaxy

    SciTech Connect

    Grandal, J.; Pereiro, J.; Bengoechea-Encabo, A.; Fernandez-Garrido, S.; Sanchez-Garcia, M. A.; Munoz, E.; Calleja, E.

    2011-02-07

    This work reports on the growth by molecular beam epitaxy and characterization of InN/InGaN multiple quantum wells (MQWs) emitting at 1.5 {mu}m. X-ray diffraction (XRD) spectra show satellite peaks up to the second order. Estimated values of well (3 nm) and barrier (9 nm) thicknesses were derived from transmission electron microscopy and the fit between experimental data and simulated XRD spectra. Transmission electron microscopy and XRD simulations also confirmed that the InGaN barriers are relaxed with respect to the GaN template, while the InN MQWs grew under biaxial compression on the InGaN barriers. Low temperature (14 K) photoluminescence measurements reveal an emission from the InN MQWs at 1.5 {mu}m. Measurements as a function of temperature indicate the existence of localized states, probably due to InN quantum wells' thickness fluctuations as observed by transmission electron microscopy.

  13. Influence of the InGaN/GaN quasi-superlattice underlying layer on photoluminescence in InGaN/GaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Mu, Qi; Xu, Mingsheng; Wang, Xuesong; Wang, Qiang; Lv, Yuanjie; Feng, Zhihong; Xu, Xiangang; Ji, Ziwu

    2016-02-01

    Photoluminescence (PL) properties of two different InGaN/GaN multiple quantum well (MQW) structures, without and with an InGaN/GaN quasi-superlattice (QSL) underlying buffer layer, were investigated. The results show that inserting a QSL between the n-GaN and MQWs can release the strain in the MQW region, since the sample with a QSL shows a smaller excitation power-dependent blue-shift of its peak energy than that without. Meanwhile, inserting a QSL enhances the localization effect of the carriers inferred from an unusual red-shift of the peak energy with increasing excitation power in low excitation range, and from a more obvious "S-shaped" temperature-dependent behavior of the peak energy characteristic: the strain release facilitates the slight composition fluctuation or phase separation of the InGaN well layers. The reduction of the quantum-confined Stark effect and enhancement of the localization effect of the MQWs induced by the strain release, greatly enhance the radiative recombination rate of the MQWs.

  14. Low driving voltage in an organic light-emitting diode using MoO3/NPB multiple quantum well structure in a hole transport layer

    NASA Astrophysics Data System (ADS)

    Mu, Xue; Wu, Xiao-Ming; Hua, Yu-Lin; Jiao, Zhi-Qiang; Shen, Li-Ying; Su, Yue-Ju; Bai, Juan-Juan; Bi, Wen-Tao; Yin, Shou-Gen; Zheng, Jia-Jin

    2013-02-01

    The driving voltage of an organic light-emitting diode (OLED) is lowered by employing molybdenum trioxide (MoO3)/N, N'-bis(naphthalene-1-yl)-N,N'-bis(phe-nyl)-benzidine (NPB) multiple quantum well (MQW) structure in the hole transport layer. For the device with double quantum well (DQW) structure of ITO/ [MoO3 (2.5 nm)/NPB (20 nm)]2/Alq3(50 nm)/LiF (0.8 nm)/Al (120 nm)], the turn-on voltage is reduced to 2.8 V, which is lowered by 0.4 V compared with that of the control device (without MQW structures), and the driving voltage is 5.6 V, which is reduced by 1 V compared with that of the control device at the 1000 cd/m2. In this work, the enhancement of the injection and transport ability for holes could reduce the driving voltage for the device with MQW structure, which is attributed not only to the reduced energy barrier between ITO and NPB, but also to the forming charge transfer complex between MoO3 and NPB induced by the interfacial doping effect of MoO3.

  15. Hole injection from the sidewall of V-shaped pits into c-plane multiple quantum wells in InGaN light emitting diodes

    SciTech Connect

    Wu, Xiaoming; Liu, Junlin Jiang, Fengyi

    2015-10-28

    The role which the V-shaped pits (V-pits) play in InGaN/GaN multiple quantum well (MQW) light emitting diodes (LEDs) has been proposed to enable the formation of sidewall MQWs, whose higher bandgap than that of the c-plane MQWs is considered to act as an energy barrier to prevent carriers from reaching the dislocations. Here, with increasing proportion of current flowing via the V-pits, the emission of the c-plane MQWs broadens across the short-wavelength band and shows a blueshift successively. This phenomenon is attributed to hole injection from the sidewall of V-pits into the c-plane MQWs, which is a new discovery in the injection mechanism of InGaN/GaN MQW LEDs.

  16. Exciton localization in polar and semipolar (112̅2) In0.2Ga0.8N/GaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Dinh, Duc V.; Presa, Silvino; Maaskant, Pleun P.; Corbett, Brian; Parbrook, Peter J.

    2016-08-01

    The exciton localization (ELZ) in polar (0001) and semipolar (112̅2) In{}0.2Ga{}0.8{{N}} multiple-quantum-well (MQW) structures has been studied by excitation power density and temperature dependent photoluminescence. The ELZ in the (112̅2) MQW was found to be much stronger (ELZ degree σ E ∼ 40 –70 meV) compared to the (0001) MQW (σ E ∼ 5‑11 meV) that was attributed to the anisotropic growth on the (112̅2) surface. This strong ELZ was found to cause a blue-shift of the (112̅2) MQW exciton emission with rising temperature from 200 to 340 K, irrespective of excitation source used. A lower luminescence efficiency of the (112̅2) MQW was attributed to their anisotropic growth, and higher concentrations of unintentional impurities and point defects than the (0001) MQW.

  17. Enhancement of Optical Polarization Anisotropy of a-Plane InGaN/GaN Multiple Quantum Well Structure from Violet to Blue-Green Light

    NASA Astrophysics Data System (ADS)

    Su, Sheng-Han; Huang, Shyh-Jer; Su, Yan-Kuin; Hsu, Hsiao-Chiu

    2013-01-01

    A nonpolar a-plane (1120) InGaN/GaN epitaxial layer was grown on r-plane (1012) sapphire substrates by metal-organic chemical vapor deposition (MOCVD). In this work, a set of step-stage multiple quantum wells (MQWs) is inserted between underlying GaN and overlying high indium-content MQWs to investigate its influence on the optical properties of the active region. The step-stage MQWs were deposited by varying growth temperature at fixed precursor flow rate. Optical properties were investigated by the measurement of temperature-dependent photoluminescence (TD-PL). The optical polarization ratio, activation energy, and the smile-like curve in full width at half maximum (FWHM) of PL were analyzed in detail.

  18. Very simple combination of TROSY, CRINEPT and multiple quantum coherence for signal enhancement in an HN(CO)CA experiment for large proteins.

    PubMed

    Bayrhuber, Monika; Riek, Roland

    2011-04-01

    Sensitivity enhancement in liquid state nuclear magnetic resonance (NMR) triple resonance experiments for the sequential assignment of proteins is important for the investigation of large proteins or protein complexes. We present here the 3D TROSY-MQ/CRINEPT-HN(CO)CA which makes use of a ¹⁵N-¹H-TROSY element and a ¹³C'-¹³CA CRINEPT step combined with a multiple quantum coherence during the ¹³CA evolution period. Because of the introduction of these relaxation-optimized elements and 10 less pulses required, when compared with the conventional TROSY-HN(CO)CA experiment an average signal enhancement of a factor of 1.8 was observed for the membrane protein-detergent complex KcsA with a rotational correlation time τ(c) of around 60 ns.

  19. Carrier localization in In-rich InGaN/GaN multiple quantum wells for green light-emitting diodes

    PubMed Central

    Jeong, Hyun; Jeong, Hyeon Jun; Oh, Hye Min; Hong, Chang-Hee; Suh, Eun-Kyung; Lerondel, Gilles; Jeong, Mun Seok

    2015-01-01

    Carrier localization phenomena in indium-rich InGaN/GaN multiple quantum wells (MQWs) grown on sapphire and GaN substrates were investigated. Temperature-dependent photoluminescence (PL) spectroscopy, ultraviolet near-field scanning optical microscopy (NSOM), and confocal time-resolved PL (TRPL) spectroscopy were employed to verify the correlation between carrier localization and crystal quality. From the spatially resolved PL measurements, we observed that the distribution and shape of luminescent clusters, which were known as an outcome of the carrier localization, are strongly affected by the crystalline quality. Spectroscopic analysis of the NSOM signal shows that carrier localization of MQWs with low crystalline quality is different from that of MQWs with high crystalline quality. This interrelation between carrier localization and crystal quality is well supported by confocal TRPL results. PMID:25792246

  20. Carrier localization in In-rich InGaN/GaN multiple quantum wells for green light-emitting diodes.

    PubMed

    Jeong, Hyun; Jeong, Hyeon Jun; Oh, Hye Min; Hong, Chang-Hee; Suh, Eun-Kyung; Lerondel, Gilles; Jeong, Mun Seok

    2015-03-20

    Carrier localization phenomena in indium-rich InGaN/GaN multiple quantum wells (MQWs) grown on sapphire and GaN substrates were investigated. Temperature-dependent photoluminescence (PL) spectroscopy, ultraviolet near-field scanning optical microscopy (NSOM), and confocal time-resolved PL (TRPL) spectroscopy were employed to verify the correlation between carrier localization and crystal quality. From the spatially resolved PL measurements, we observed that the distribution and shape of luminescent clusters, which were known as an outcome of the carrier localization, are strongly affected by the crystalline quality. Spectroscopic analysis of the NSOM signal shows that carrier localization of MQWs with low crystalline quality is different from that of MQWs with high crystalline quality. This interrelation between carrier localization and crystal quality is well supported by confocal TRPL results.

  1. 1.06-μm InGaAs/GaAs multiple-quantum-well optical thyristor lasers with a PiNiN structure.

    PubMed

    Wang, Huolei; Mi, Junping; Zhou, Xuliang; Meriggi, Laura; Steer, Matthew; Cui, Bifeng; Chen, Weixi; Pan, Jiaoqing; Ding, Ying

    2013-11-15

    InGaAs/GaAs multiple quantum well (MQW)-depleted optical thyristor lasers operating at 1.06 μm with a waveguide-type PiNiN structure is presented for the first time. The optical thyristor lasers clearly show nonlinear S-shaped current-voltage and lasing characteristics. The measured switching voltage and current are 5 V and 1 mA, respectively. The holding voltage and current are 2.6 V and 3.6 mA, respectively. A relatively high output light power of 30 mW per facet at room temperature is achieved. The lasing wavelength is 1.055 μm at a bias current of 80 mA at 25 °C.

  2. Strain-compensated (Ga,In)N/(Al,Ga)N/GaN multiple quantum wells for improved yellow/amber light emission

    SciTech Connect

    Lekhal, K.; Damilano, B. De Mierry, P.; Vennéguès, P.; Ngo, H. T.; Rosales, D.; Gil, B.; Hussain, S.

    2015-04-06

    Yellow/amber (570–600 nm) emitting In{sub x}Ga{sub 1−x}N/Al{sub y}Ga{sub 1−y}N/GaN multiple quantum wells (QWs) have been grown by metal organic chemical vapor deposition on GaN-on- sapphire templates. When the (Al,Ga)N thickness of the barrier increases, the room temperature photoluminescence is red-shifted while its yield increases. This is attributed to an increase of the QW internal electric field and an improvement of the material quality due to the compensation of the compressive strain of the In{sub x}Ga{sub 1−x}N QWs by the Al{sub y}Ga{sub 1−y}N layers, respectively.

  3. Efficient charge-carrier extraction from Ag2S quantum dots prepared by the SILAR method for utilization of multiple exciton generation

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoliang; Liu, Jianhua; Johansson, Erik M. J.

    2015-01-01

    The utilization of electron-hole pairs (EHPs) generated from multiple excitons in quantum dots (QDs) is of great interest toward efficient photovoltaic devices and other optoelectronic devices; however, extraction of charge carriers remains difficult. Herein, we extract photocharges from Ag2S QDs and investigate the dependence of the electric field on the extraction of charges from multiple exciton generation (MEG). Low toxic Ag2S QDs are directly grown on TiO2 mesoporous substrates by employing the successive ionic layer adsorption and reaction (SILAR) method. The contact between QDs is important for the initial charge separation after MEG and for the carrier transport, and the space between neighbor QDs decreases with more SILAR cycles, resulting in better charge extraction. At the optimal electric field for extraction of photocharges, the results suggest that the threshold energy (hνth) for MEG is 2.41Eg. The results reveal that Ag2S QD is a promising material for efficient extraction of charges from MEG and that QDs prepared by SILAR have an advantageous electrical contact facilitating charge separation and extraction.The utilization of electron-hole pairs (EHPs) generated from multiple excitons in quantum dots (QDs) is of great interest toward efficient photovoltaic devices and other optoelectronic devices; however, extraction of charge carriers remains difficult. Herein, we extract photocharges from Ag2S QDs and investigate the dependence of the electric field on the extraction of charges from multiple exciton generation (MEG). Low toxic Ag2S QDs are directly grown on TiO2 mesoporous substrates by employing the successive ionic layer adsorption and reaction (SILAR) method. The contact between QDs is important for the initial charge separation after MEG and for the carrier transport, and the space between neighbor QDs decreases with more SILAR cycles, resulting in better charge extraction. At the optimal electric field for extraction of photocharges, the

  4. Quantitative produced water analysis using mobile 1H NMR

    NASA Astrophysics Data System (ADS)

    Wagner, Lisabeth; Kalli, Chris; Fridjonsson, Einar O.; May, Eric F.; Stanwix, Paul L.; Graham, Brendan F.; Carroll, Matthew R. J.; Johns, Michael L.

    2016-10-01

    Measurement of oil contamination of produced water is required in the oil and gas industry to the (ppm) level prior to discharge in order to meet typical environmental legislative requirements. Here we present the use of compact, mobile 1H nuclear magnetic resonance (NMR) spectroscopy, in combination with solid phase extraction (SPE), to meet this metrology need. The NMR hardware employed featured a sufficiently homogeneous magnetic field, such that chemical shift differences could be used to unambiguously differentiate, and hence quantitatively detect, the required oil and solvent NMR signals. A solvent system consisting of 1% v/v chloroform in tetrachloroethylene was deployed, this provided a comparable 1H NMR signal intensity for the oil and the solvent (chloroform) and hence an internal reference 1H signal from the chloroform resulting in the measurement being effectively self-calibrating. The measurement process was applied to water contaminated with hexane or crude oil over the range 1-30 ppm. The results were validated against known solubility limits as well as infrared analysis and gas chromatography.

  5. Quantum transport through a multilevel magnetic structure with multiple inelastic scattering in a magnetic field taken into account

    NASA Astrophysics Data System (ADS)

    Val'kov, V. V.; Aksenov, S. V.; Ulanov, E. A.

    2015-02-01

    We present a solution for the problem of quantum electron transport through a magnetic atom adsorbed inside a break junction with paramagnetic metal electrodes. In agreement with experimental data, it was assumed that the conduction electrons experience inelastic scattering by the adsorbate due to s-d(f)-exchange interaction. The Keldysh technique was employed to obtain a general expression describing a current through the multilevel structure at finite temperatures in terms of the nonequilibrium Green's function. The use of the atomic representation allowed to exactly account for the non-equidistant structure of the energy spectrum of a magnetic atom and to simplify substantially the application of the Wick theorem for construction of the nonequilibrium diagrammatic technique for the Hubbard operators. The calculation of the current-voltage characteristics of the magnetic adatom in the tunnel regime at low temperatures revealed the presence of regions with a negative differential conductance in a magnetic field.

  6. New electroabsorptive device with negative resistance based on a low-responsivity GaAs/AlAs multiple quantum well

    NASA Astrophysics Data System (ADS)

    Ryvkin, B. S.; Goodwill, D. J.; Walker, A. C.; Stanley, C. R.; Pottier, F.; Holland, M. C.

    1994-02-01

    The configuration of a novel electroabsorption instrument having a much bigger photocurrent ratio in the negative resistance section than before. The device consisted of n-i-p GaAs/AlAs MQW modulator and p-i-n GaAs/GaAlAs non-quantum well photodetector all vertically incorporated. The modulator and the photodetector are electrically linked parallel to each other in a reverse biased state. Compared with self-electro-optic effect devices (SEEDs), the high-state responsivity of the device is lower but the total photocurrent alteration is comparable. The device affords improved operation of S-SEED devices at greater intensities as well the fabrication of a microwave oscillator with high efficiency.

  7. InGaN/GaN Multiple Quantum Well Light-Emitting Diodes grown on Polar, Semi-polar and Non-Polar Orientations

    NASA Astrophysics Data System (ADS)

    Mukund, Aadhithya Hosalli

    Cost effective solid-state lighting (SSL) is gaining much attention in recent years. As a result, there has been a great demand for high efficiency light emitting diodes (LEDs). InGaN/GaN multiple quantum well (MQW) based light-emitting diodes (LEDs) emitting in the blue/green region have emerged as promising candidates in realizing the next-generation SSL technology. InGaN/GaN quantum well structures for optoelectronic devices are conventionally grown on the c-plane (polar plane) which has a large polarization field. This large field within the quantum well structures results in a low rate of radiative recombination. This polarization issue is also partly responsible for the "green gap" or the poor external quantum efficiency observed for LEDs emitting in the green region of the visible spectrum and beyond. The alternative to this polarization issue is to grow on semi-polar orientations with a reduced field relative to the c-plane or on non-polar orientations which has zero polarization field. In this dissertation, alternative approaches to grow on semi-polar and nonpolar orientations are explored. The first of these approaches explores the possibility of growing on the facets of GaN nanowires that are oriented along desirable orientations from the perspective of polarization. A "proof of concept" LED structure, that has embedded voids, is overgrown on GaN nanowires. Three times improvement in the light-output power is observed for the LED overgrown on GaN nanowires relative to the conventional c-plane LED. The higher light-output power is attributed primarily to reduced piezo-electric fields and improved light extraction as a result of wave-guiding by the embedded voids. The second of these approaches explores the growth of MQW LEDs on semi-polar and non-polar bulk GaN substrates. A modified growth approach is used for incorporating higher amounts of indium to enable green-emitting MQWs. The challenges with these bulk GaN substrates and the effect of varying

  8. Identifying metabolites related to nitrogen mineralisation using 1H NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    . T McDonald, Noeleen; Graham, Stewart; Watson, Catherine; Gordon, Alan; Lalor, Stan; Laughlin, Ronnie; Elliott, Chris; . P Wall, David

    2015-04-01

    Exploring new analysis techniques to enhance our knowledge of the various metabolites within our soil systems is imperative. Principally, this knowledge would allow us to link key metabolites with functional influences on critical nutrient processes, such as the nitrogen (N) mineralisation in soils. Currently there are few studies that utilize proton nuclear magnetic resonance spectroscopy (1H NMR) to characterize multiple metabolites within a soil sample. The aim of this research study was to examine the effectiveness of 1H NMR for isolating multiple metabolites that are related to the mineralizable N (MN) capacity across a range of 35 Irish grassland soils. Soils were measured for MN using the standard seven day anaerobic incubation (AI-7). Additionally, soils were also analysed for a range of physio-chemical properties [e.g. total N, total C, mineral N, texture and soil organic matter (SOM)]. Proton NMR analysis was carried on these soils by extracting with 40% methanol:water, lyophilizing and reconstituting in deuterium oxide and recording the NMR spectra on a 400MHz Bruker AVANCE III spectrometer. Once the NMR data were spectrally processed and analysed using multivariate statistical analysis, seven metabolites were identified as having significant relationships with MN (glucose, trimethylamine, glutamic acid, serine, aspartic acid, 4-aminohippuirc acid and citric acid). Following quantification, glucose was shown to explain the largest percentage variability in MN (72%). These outcomes suggest that sources of labile carbon are essential in regulating N mineralisation and the capacity of plant available N derived from SOM-N pools in these soils. Although, smaller in concentration, the amino acids; 4-aminohippuirc acid, glutamic acid and serine also significantly (P<0.05) explained 43%, 27% and 19% of the variability in MN, respectively. This novel study highlights the effectiveness of using 1H NMR as a practical approach to profile multiple metabolites in

  9. Proton-detected 3D 1H/13C/1H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    NASA Astrophysics Data System (ADS)

    Zhang, Rongchun; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

    2015-10-01

    A proton-detected 3D 1H/13C/1H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of 13C-1H connectivities, and proximities of 13C-1H and 1H-1H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including 1H-1H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) 1H/1H and 2D 13C/1H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of 1H-1H proximity and 13C-1H connectivity. In addition, the 2D (F1/F2) 1H/13C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of 1H-1H dipolar couplings, enables the measurement of proximities between 13C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of 1H-1H-13C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ṡ H2O ṡ HCl demonstrate the efficiency of the 3D experiment.

  10. Proton-detected 3D (1)H/(13)C/(1)H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz.

    PubMed

    Zhang, Rongchun; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

    2015-10-28

    A proton-detected 3D (1)H/(13)C/(1)H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of (13)C-(1)H connectivities, and proximities of (13)C-(1)H and (1)H-(1)H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including (1)H-(1)H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) (1)H/(1)H and 2D (13)C/(1)H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of (1)H-(1)H proximity and (13)C-(1)H connectivity. In addition, the 2D (F1/F2) (1)H/(13)C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of (1)H-(1)H dipolar couplings, enables the measurement of proximities between (13)C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of (1)H-(1)H-(13)C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ⋅ H2O ⋅ HCl demonstrate the efficiency of the 3D experiment.

  11. Experimental and calculated 1H, 13C, 15N NMR spectra of famotidine

    NASA Astrophysics Data System (ADS)

    Barańska, M.; Czarniecki, K.; Proniewicz, L. M.

    2001-05-01

    Famotidine, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]- N-(aminosulfonyl), is a histamine H 2-receptor blocker that has been used mainly for the treatment of peptic ulcers and the Zollinger-Ellison syndrome. Its NMR spectra in different solvents were reported earlier; however, detailed interpretation has not been done thus far. In this work, experimental 1H, 13C and 15N NMR spectra of famotidine dissolved in DMSO-d 6 are shown. The assignment of observed chemical shifts is based on quantum chemical calculation at the Hartree-Fock/6-31G ∗ level. The geometry optimization of the famotidine molecule with two internal hydrogen bonds, i.e. [N(3)-H(23)⋯N(9) and N(3)⋯H(34)-N(20)], is done by using the B3LYP method with the 6-31G ∗ basis set.

  12. Hydrogen Generation using non-polar coaxial InGaN/GaN Multiple Quantum Well Structure Formed on Hollow n-GaN Nanowires.

    PubMed

    Park, Ji-Hyeon; Mandal, Arjun; Kang, San; Chatterjee, Uddipta; Kim, Jin Soo; Park, Byung-Guon; Kim, Moon-Deock; Jeong, Kwang-Un; Lee, Cheul-Ro

    2016-08-24

    This article demonstrates for the first time to the best of our knowledge, the merits of InGaN/GaN multiple quantum wells (MQWs) grown on hollow n-GaN nanowires (NWs) as a plausible alternative for stable photoelectrochemical water splitting and efficient hydrogen generation. These hollow nanowires are achieved by a growth method rather not by conventional etching process. Therefore this approach becomes simplistic yet most effective. We believe relatively low Ga flux during the selective area growth (SAG) aids the hollow nanowire to grow. To compare the optoelectronic properties, simultaneously solid nanowires are also studied. In this present communication, we exhibit that lower thermal conductivity of hollow n-GaN NWs affects the material quality of InGaN/GaN MQWs by limiting In diffusion. As a result of this improvement in material quality and structural properties, photocurrent and photosensitivity are enhanced compared to the structures grown on solid n-GaN NWs. An incident photon-to-current efficiency (IPCE) of around ~33.3% is recorded at 365 nm wavelength for hollow NWs. We believe that multiple reflections of incident light inside the hollow n-GaN NWs assists in producing a larger amount of electron hole pairs in the active region. As a result the rate of hydrogen generation is also increased.

  13. Hydrogen Generation using non-polar coaxial InGaN/GaN Multiple Quantum Well Structure Formed on Hollow n-GaN Nanowires.

    PubMed

    Park, Ji-Hyeon; Mandal, Arjun; Kang, San; Chatterjee, Uddipta; Kim, Jin Soo; Park, Byung-Guon; Kim, Moon-Deock; Jeong, Kwang-Un; Lee, Cheul-Ro

    2016-01-01

    This article demonstrates for the first time to the best of our knowledge, the merits of InGaN/GaN multiple quantum wells (MQWs) grown on hollow n-GaN nanowires (NWs) as a plausible alternative for stable photoelectrochemical water splitting and efficient hydrogen generation. These hollow nanowires are achieved by a growth method rather not by conventional etching process. Therefore this approach becomes simplistic yet most effective. We believe relatively low Ga flux during the selective area growth (SAG) aids the hollow nanowire to grow. To compare the optoelectronic properties, simultaneously solid nanowires are also studied. In this present communication, we exhibit that lower thermal conductivity of hollow n-GaN NWs affects the material quality of InGaN/GaN MQWs by limiting In diffusion. As a result of this improvement in material quality and structural properties, photocurrent and photosensitivity are enhanced compared to the structures grown on solid n-GaN NWs. An incident photon-to-current efficiency (IPCE) of around ~33.3% is recorded at 365 nm wavelength for hollow NWs. We believe that multiple reflections of incident light inside the hollow n-GaN NWs assists in producing a larger amount of electron hole pairs in the active region. As a result the rate of hydrogen generation is also increased. PMID:27556534

  14. Effects of multiple interruptions with trimethylindium-treatment in the InGaN/GaN quantum well on green light emitting diodes

    NASA Astrophysics Data System (ADS)

    Qiao, Liang; Ma, Zi-Guang; Chen, Hong; Wu, Hai-Yan; Chen, Xue-Fang; Yang, Hao-Jun; Zhao, Bin; He, Miao; Zheng, Shu-Wen; Li, Shu-Ti

    2016-10-01

    In this study, the influence of multiple interruptions with trimethylindium (TMIn)-treatment in InGaN/GaN multiple quantum wells (MQWs) on green light-emitting diode (LED) is investigated. A comparison of conventional LEDs with the one fabricated with our method shows that the latter has better optical properties. Photoluminescence (PL) full-width at half maximum (FWHM) is reduced, light output power is much higher and the blue shift of electroluminescence (EL) dominant wavelength becomes smaller with current increasing. These improvements should be attributed to the reduced interface roughness of MQW and more uniformity of indium distribution in MQWs by the interruptions with TMIn-treatment. Project supported by the National Natural Science Foundation of China (Grant Nos. 11204360 and 61210014), the Science and Technology Planning Projects of Guangdong Province, China (Grant Nos. 2014B050505020, 2015B010114007, and 2014B090904045), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20134407110008), the Guangzhou Municipal Science and Technology Project of Guangdong Province, China (Grant No. 2016201604030027), and the Zhongshan Science and Technology Project of Guangdong Province, China (Grant No. 2013B3FC0003).

  15. Hydrogen Generation using non-polar coaxial InGaN/GaN Multiple Quantum Well Structure Formed on Hollow n-GaN Nanowires

    PubMed Central

    Park, Ji-Hyeon; Mandal, Arjun; Kang, San; Chatterjee, Uddipta; Kim, Jin Soo; Park, Byung-Guon; Kim, Moon-Deock; Jeong, Kwang-Un; Lee, Cheul-Ro

    2016-01-01

    This article demonstrates for the first time to the best of our knowledge, the merits of InGaN/GaN multiple quantum wells (MQWs) grown on hollow n-GaN nanowires (NWs) as a plausible alternative for stable photoelectrochemical water splitting and efficient hydrogen generation. These hollow nanowires are achieved by a growth method rather not by conventional etching process. Therefore this approach becomes simplistic yet most effective. We believe relatively low Ga flux during the selective area growth (SAG) aids the hollow nanowire to grow. To compare the optoelectronic properties, simultaneously solid nanowires are also studied. In this present communication, we exhibit that lower thermal conductivity of hollow n-GaN NWs affects the material quality of InGaN/GaN MQWs by limiting In diffusion. As a result of this improvement in material quality and structural properties, photocurrent and photosensitivity are enhanced compared to the structures grown on solid n-GaN NWs. An incident photon-to-current efficiency (IPCE) of around ~33.3% is recorded at 365 nm wavelength for hollow NWs. We believe that multiple reflections of incident light inside the hollow n-GaN NWs assists in producing a larger amount of electron hole pairs in the active region. As a result the rate of hydrogen generation is also increased. PMID:27556534

  16. Hydrogen Generation using non-polar coaxial InGaN/GaN Multiple Quantum Well Structure Formed on Hollow n-GaN Nanowires

    NASA Astrophysics Data System (ADS)

    Park, Ji-Hyeon; Mandal, Arjun; Kang, San; Chatterjee, Uddipta; Kim, Jin Soo; Park, Byung-Guon; Kim, Moon-Deock; Jeong, Kwang-Un; Lee, Cheul-Ro

    2016-08-01

    This article demonstrates for the first time to the best of our knowledge, the merits of InGaN/GaN multiple quantum wells (MQWs) grown on hollow n-GaN nanowires (NWs) as a plausible alternative for stable photoelectrochemical water splitting and efficient hydrogen generation. These hollow nanowires are achieved by a growth method rather not by conventional etching process. Therefore this approach becomes simplistic yet most effective. We believe relatively low Ga flux during the selective area growth (SAG) aids the hollow nanowire to grow. To compare the optoelectronic properties, simultaneously solid nanowires are also studied. In this present communication, we exhibit that lower thermal conductivity of hollow n-GaN NWs affects the material quality of InGaN/GaN MQWs by limiting In diffusion. As a result of this improvement in material quality and structural properties, photocurrent and photosensitivity are enhanced compared to the structures grown on solid n-GaN NWs. An incident photon-to-current efficiency (IPCE) of around ~33.3% is recorded at 365 nm wavelength for hollow NWs. We believe that multiple reflections of incident light inside the hollow n-GaN NWs assists in producing a larger amount of electron hole pairs in the active region. As a result the rate of hydrogen generation is also increased.

  17. Fabrication of GeSn-multiple quantum wells by overgrowth of Sn on Ge by using molecular beam epitaxy

    SciTech Connect

    Oliveira, F.; Fischer, I. A.; Schulze, J.; Benedetti, A.; Zaumseil, P.; Cerqueira, M. F.; Vasilevskiy, M. I.; Stefanov, S.; Chiussi, S.

    2015-12-28

    We report on the fabrication and structural characterization of epitaxially grown ultra-thin layers of Sn on Ge virtual substrates (Si buffer layer overgrown by a 50 nm thick Ge epilayer followed by an annealing step). Samples with 1 to 5 monolayers of Sn on Ge virtual substrates were grown using solid source molecular beam epitaxy and characterized by atomic force microscopy. We determined the critical thickness at which the transition from two-dimensional to three-dimensional growth occurs. This transition is due to the large lattice mismatch between Ge and Sn (≈14.7%). By depositing Ge on top of Sn layers, which have thicknesses at or just below the critical thickness, we were able to fabricate ultra-narrow GeSn multi-quantum-well structures that are fully embedded in Ge. We report results on samples with one and ten GeSn wells separated by 5 and 10 nm thick Ge spacer layers that were characterized by high resolution transmission electron microscopy and X-ray diffraction. We discuss the structure and material intermixing observed in the samples.

  18. Dynamic 1H NMR Studies of Schiff Base Derivatives

    NASA Astrophysics Data System (ADS)

    Köylü, M. Z.; Ekinci, A.; Böyükata, M.; Temel, H.

    2016-01-01

    The spin-lattice relaxation time T 1 and the spin-spin relaxation time T 2 of two Schiff base derivatives, N,N'-ethylenebis(salicylidene)-1,2-diaminoethane (H2L1) and N,N'-ethylenebis (salicylidene)-1,3-diaminopropane (H2L2), in DMSO-d6 solvent were studied as a function of temperature in the range of 20-50°C using a Bruker Avance 400.132 MHz 1H NMR spectrometer. Based on the activation energy ( E a) and correlation time (τc), we believe that the Schiff base derivatives perform a molecular tumbling motion.

  19. The 2D {31P} Spin-Echo-Difference Constant-Time [13C, 1H]-HMQC Experiment for Simultaneous Determination of 3JH3‧P and 3JC4‧P in 13C-Labeled Nucleic Acids and Their Protein Complexes

    NASA Astrophysics Data System (ADS)

    Szyperski, Thomas; Fernández, César; Ono, Akira; Wüthrich, Kurt; Kainosho, Masatsune

    1999-10-01

    A two-dimensional {31P} spin-echo-difference constant-time [13C, 1H]-HMQC experiment (2D {31P}-sedct-[13C, 1H]-HMQC) is introduced for measurements of 3JC4‧P and 3JH3‧P scalar couplings in large 13C-labeled nucleic acids and in DNA-protein complexes. This experiment makes use of the fact that 1H-13C multiple-quantum coherences in macromolecules relax more slowly than the corresponding 13C single-quantum coherences. 3JC4‧P and 3JH3‧P are related via Karplus-type functions with the phosphodiester torsion angles β and ɛ, respectively, and their experimental assessment therefore contributes to further improved quality of NMR solution structures. Data are presented for a uniformly 13C, 15N-labeled 14-base-pair DNA duplex, both free in solution and in a 17-kDa protein-DNA complex.

  20. A 23Na Multiple-Quantum-Filtered NMR Study of the Effect of the Cytoskeleton Conformation on the Anisotropic Motion of Sodium Ions in Red Blood Cells

    NASA Astrophysics Data System (ADS)

    Knubovets, Tatyana; Shinar, Hadassah; Eliav, Uzi; Navon, Gil

    1996-01-01

    Recently, it has been shown that23Na double-quantum-filtered NMR spectroscopy can be used to detect anisotropic motion of bound sodium ions in biological systems. The technique is based on the formation of the second-rank tensor when the quadrupolar interaction is not averaged to zero. Using this method, anisotropic motion of bound sodium in human and dog red blood cells was detected, and the effect was shown to depend on the integrity of the membrane cytoskeleton. In the present study, multiple-quantum-filtered techniques were applied in combination with a quadrupolar echo to measure the transverse-relaxation times,T2fandT2s. Line fitting was performed to obtain the values of the residual quadrupolar interaction, which was measured for sodium in a variety of mammalian erythrocytes of different size, shape, rheological properties, and sodium concentrations. Human unsealed white ghosts were used to study sodium bound at the anisotropic sites on the inner side of the RBC membrane. Modulations of the conformation of the cytoskeleton by the variation of either the ionic strength or pH of the suspending medium caused drastic changes in both the residual quadrupolar interaction andT2fdue to changes in the fraction of bound sodium ions as well as changes in the structure of the binding sites. By combining the two spectroscopic parameters, structural change can be followed. The changes in the structure of the sodium anisotropic binding sites deduced by this method were found to correlate with known conformational changes of the membrane cytoskeleton. Variations of the medium pH affected both the fraction of bound sodium ions and the structure of the anisotropic binding sites. Sodium and potassium were shown to bind to the anisotropic binding sites with the same affinity.

  1. The 1H NMR Profile of Healthy Dog Cerebrospinal Fluid

    PubMed Central

    Musteata, Mihai; Nicolescu, Alina; Solcan, Gheorghe; Deleanu, Calin

    2013-01-01

    The availability of data for reference values in cerebrospinal fluid for healthy humans is limited due to obvious practical and ethical issues. The variability of reported values for metabolites in human cerebrospinal fluid is quite large. Dogs present great similarities with humans, including in cases of central nervous system pathologies. The paper presents the first study on healthy dog cerebrospinal fluid metabolomic profile using 1H NMR spectroscopy. A number of 13 metabolites have been identified and quantified from cerebrospinal fluid collected from a group of 10 mix breed healthy dogs. The biological variability as resulting from the relative standard deviation of the physiological concentrations of the identified metabolites had a mean of 18.20% (range between 9.3% and 44.8%). The reported concentrations for metabolites may be used as normal reference values. The homogeneity of the obtained results and the low biologic variability show that the 1H NMR analysis of the dog’s cerebrospinal fluid is reliable in designing and interpreting clinical and therapeutic trials in dogs with central nervous system pathologies. PMID:24376499

  2. 23Na and 1H NMR Microimaging of Intact Plants

    NASA Astrophysics Data System (ADS)

    Olt, Silvia; Krötz, Eva; Komor, Ewald; Rokitta, Markus; Haase, Axel

    2000-06-01

    23Na NMR microimaging is described to map, for the first time, the sodium distribution in living plants. As an example, the response of 6-day-old seedlings of Ricinus communis to exposure to sodium chloride concentrations from 5 to 300 mM was observed in vivo using 23Na as well as 1H NMR microimaging. Experiments were performed at 11.75 T with a double resonant 23Na-1H probehead. The probehead was homebuilt and equipped with a climate chamber. T1 and T2 of 23Na were measured in the cross section of the hypocotyl. Within 85 min 23Na images with an in-plane resolution of 156 × 156 μm were acquired. With this spatial information, the different types of tissue in the hypocotyl can be discerned. The measurement time appears to be short compared to the time scale of sodium uptake and accumulation in the plant so that the kinetics of salt stress can be followed. In conclusion, 23Na NMR microimaging promises great potential for physiological studies of the consequences of salt stress on the macroscopic level and thus may become a unique tool for characterizing plants with respect to salt tolerance and salt sensitivity.

  3. Dynamics-based selective 2D 1H/1H chemical shift correlation spectroscopy under ultrafast MAS conditions

    PubMed Central

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2015-01-01

    Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of 1H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of 1H/1H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials. PMID:26026440

  4. Variations in the Quantum Efficiency of Multiple Exciton Generation for a Series of Chemically Treated PbSe Nanocrystal Films

    SciTech Connect

    Beard, M. C.; Midgett, A. G.; Law, M.; Semonin, O. E.; Ellingson, R. J.; Nozik, A. J.

    2009-01-01

    We study multiple exciton generation (MEG) in two series of chemically treated PbSe nanocrystal (NC) films. We find that the average number of excitons produced per absorbed photon varies between 1.0 and 2.4 ({+-} 0.2) at a photon energy of {approx}4E{sub g} for films consisting of 3.7 nm NCs and between 1.1 and 1.6 ({+-} 0.1) at hv {approx}5E{sub g} for films consisting of 7.4 nm NCs. The variations in MEG depend upon the chemical treatment used to electronically couple the NCs in each film. The single and multiexciton lifetimes also change with the chemical treatment: biexciton lifetimes increase with stronger inter-NC electronic coupling and exciton delocalization, while single exciton lifetimes decrease after most treatments relative to the same NCs in solution. Single exciton lifetimes are particularly affected by surface treatments that dope the films n-type, which we tentatively attribute to an Auger recombination process between a single exciton and an electron produced by ionization of the dopant donor. These results imply that a better understanding of the effects of surface chemistry on film doping, NC carrier dynamics, and inter-NC interactions is necessary to build solar energy conversion devices that can harvest the multiple carriers produced by MEG. Our results show that the MEG efficiency is very sensitive to the condition of the NC surface and suggest that the wide range of MEG efficiencies reported in the recent literature may be a result of uncontrolled differences in NC surface chemistry.

  5. Universal quantum computation by discontinuous quantum walk

    SciTech Connect

    Underwood, Michael S.; Feder, David L.

    2010-10-15

    Quantum walks are the quantum-mechanical analog of random walks, in which a quantum ''walker'' evolves between initial and final states by traversing the edges of a graph, either in discrete steps from node to node or via continuous evolution under the Hamiltonian furnished by the adjacency matrix of the graph. We present a hybrid scheme for universal quantum computation in which a quantum walker takes discrete steps of continuous evolution. This ''discontinuous'' quantum walk employs perfect quantum-state transfer between two nodes of specific subgraphs chosen to implement a universal gate set, thereby ensuring unitary evolution without requiring the introduction of an ancillary coin space. The run time is linear in the number of simulated qubits and gates. The scheme allows multiple runs of the algorithm to be executed almost simultaneously by starting walkers one time step apart.

  6. Crystal structure of 1H,1'H-[2,2'-biimid-azol]-3-ium hydrogen tartrate hemi-hydrate.

    PubMed

    Gao, Xiao-Li; Bian, Li-Fang; Guo, Shao-Wei

    2014-11-01

    In the crystal of the title hydrated salt, C6H7N4 (+)·C4H5O6 (-)·0.5H2O, the bi-imidazole monocation, 1H,1'H-[2,2'-biimidazol]-3-ium, is hydrogen bonded, via N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, to the hydrogen tartrate anion and the water mol-ecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C-H⋯O hydrogen bonds, forming a three-dimensional structure. There are also C=O⋯π inter-actions present [O⋯π distances are 3.00 (9) and 3.21 (7) Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6 (2)°.

  7. Campath-1H + FK506 and Methylprednisolone for GVHD

    ClinicalTrials.gov

    2010-06-10

    Breast Cancer; Chronic Myeloproliferative Disorders; Gestational Trophoblastic Tumor; Graft Versus Host Disease; Leukemia; Lymphoma; Multiple Myeloma and Plasma Cell Neoplasm; Myelodysplastic Syndromes; Myelodysplastic/Myeloproliferative Diseases; Neuroblastoma; Ovarian Cancer; Testicular Germ Cell Tumor

  8. In vivo 1H chemical shift imaging of silicone implants.

    PubMed

    Pfleiderer, B; Ackerman, J L; Garrido, L

    1993-05-01

    In order to study the aging process (i.e., silicone migration, fat infiltration) of silicone (polydimethylsiloxane, PDMS) based biomaterials in living subjects by NMR imaging, a hybrid 1H selective excitation and saturation chemical shift imaging technique (IR/CHESS-CSSE) has been developed. This sequence allows selective mapping of the distribution of silicone protons in vivo, while suppressing the contributions of fat and water. Our results indicate that a combined inversion recovery and CHESS pulse, followed by a spoiler gradient, must be applied to suppress all contributions of fat protons to the NMR signal. The sensitivity of our experiments allows the detection of a chemically unchanged silicone concentration of 5% in a voxel of 0.9 mm3 at a signal/noise ratio of 2.

  9. Study of aqueous humour by 1H NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Tkadlecová, Marcela; Havlíček, Jaroslav; Volka, Karel; Souček, Petr; Karel, Ivan

    1999-05-01

    The aim of this work was to study the composition of the samples of human aqueous humour including the protein content. Using 1H NMR spectroscopy many compounds (proteins, glucose, lactate, citrate and other metabolites) can be identified and their concentrations evaluated using the internal standard. While the concentrations of non-proteins in aqueous humour were relatively stable, the amount of proteins differed much more. In most of the spectra, the signals of proteins were hardly distinguishable from the baseline. For some samples a significantly higher protein content (more than 1 mg/ml) was found. The total protein concentration expressed in albumin equivalents can be determined by comparing the spectra measured by S2PUL (standard measurement) and CPMG (protein suppression) pulse sequentions. For comparison, the spectra of rabbit and bovine aqueous humour are also given.

  10. Investigation of domain size in polymer membranes using double quantum filtered spin diffusion MAS NMR.

    SciTech Connect

    Fujimoto, Cy H.; Alam, Todd Michael; Cherry, Brian Ray; Cornelius, Christopher James

    2005-02-01

    Solid-state {sup 1}H magic angle spinning (MAS) NMR was used to investigate sulfonated Diels-Alder poly(phenlylene) polymer membranes. Under high spinning speed {sup 1}H MAS conditions, the proton environments of the sulfonic acid and phenylene polymer backbone are resolved. A double-quantum (DQ) filter using the rotor-synchronized back-to-back (BABA) NMR multiple-pulse sequence allowed the selective suppression of the sulfonic proton environment in the {sup 1}H MAS NMR spectra. This DQ filter in conjunction with a spin diffusion NMR experiment was then used to measure the domain size of the sulfonic acid component within the membrane. In addition, the temperature dependence of the sulfonic acid spin-spin relaxation time (T{sub 2}) was determined, providing an estimate of the activation energy for the proton dynamics of the dehydrated membrane.

  11. Determination of relative orientation between (1)H CSA tensors from a 3D solid-state NMR experiment mediated through (1)H/(1)H RFDR mixing under ultrafast MAS.

    PubMed

    Pandey, Manoj Kumar; Nishiyama, Yusuke

    2015-09-01

    To obtain piercing insights into inter and intramolecular H-bonding, and π-electron interactions measurement of (1)H chemical shift anisotropy (CSA) tensors is gradually becoming an obvious choice. While the magnitude of CSA tensors provides unique information about the local electronic environment surrounding the nucleus, the relative orientation between these tensors can offer further insights into the spatial arrangement of interacting nuclei in their respective three-dimensional (3D) space. In this regard, we present a 3D anisotropic/anisotropic/isotropic proton chemical shift (CSA/CSA/CS) correlation experiment mediated through (1)H/(1)H radio frequency-driven recoupling (RFDR) which enhances spin diffusion through recoupled (1)H-(1)H dipolar couplings under ultrafast magic angle spinning (MAS) frequency (70kHz). Relative orientation between two interacting 1H CSA tensors is obtained by fitting two-interacting (1)H CSA tensors by fitting two-dimensional (2D) (1)H/(1)H CSA/CSA spectral slices through extensive numerical simulations. To recouple (1)H CSAs in the indirect frequency dimensions of a 3D experiment we have employed γ-encoded radio frequency (RF) pulse sequence based on R-symmetry (R188(7)) with a series of phase-alternated 2700(°)-90180(°) composite-180° pulses on citric acid sample. Due to robustness of applied (1)H CSA recoupling sequence towards the presence of RF field inhomogeneity, we have successfully achieved an excellent (1)H/(1)H CSA/CSA cross-correlation efficiency between H-bonded sites of citric acid. PMID:26065628

  12. Molecular weight distributions of irradiated siloxane-based elastomers: A complementary study by statistical modeling and multiple quantum nuclear magnetic resonance

    SciTech Connect

    Dinh, L. N.; Mayer, B. P.; Maiti, A.; Chinn, S. C.; Maxwell, R. S.

    2011-05-01

    The statistical methodology of population balance (PB) has been applied in order to predict the effects of cross-linking and chain-scissioning induced by ionizing radiation on the distribution of molecular weight between cross-links (MWBC) of a siloxane-based elastomer. Effective molecular weight distributions were extracted from the quantification of residual dipolar couplings via multiple quantum nuclear magnetic resonance (MQ-NMR) measurements and are taken to reflect actual MWBC distributions. The PB methodology is then applied to the unirradiated MWBC distribution and considers both chain-scissioning and the possibility of the formation of three types of cross-links: random recombination of scissioned-chain ends (end-linking), random covalent bonds of free radicals on scissioned-chain ends (Y-cross-linking), and the formation of random cross-links from free radicals on side groups (H-cross-linking). The qualitative agreement between the statistical modeling approach and the NMR data confirms that it is possible to predict trends for the evolution of the distribution of MWBC of polymers under irradiation. The approach described herein can also discern heterogeneities in radiation effects in different structural motifs in the polymer network.

  13. Exciton-phonon interaction in Al0.4Ga0.6N/Al0.53Ga0.47N multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Liu, Ya-Li; Jin, Peng; Liu, Gui-Peng; Wang, Wei-Ying; Qi, Zhi-Qiang; Chen, Chang-Qing; Wang, Zhan-Guo

    2016-08-01

    The exciton-phonon interaction in Al0.4Ga0.6N/Al0.53Ga0.47N multiple quantum wells (MQWs) is studied by deep-ultraviolet time-integrated and time-resolved photoluminescence (PL). Up to four longitudinal-optical (LO) phonon replicas of exciton recombination are observed, indicating the strong coupling of excitons with LO phonons in the MQWs. Moreover, the exciton-phonon coupling strength in the MQWs is quantified by the Huang-Rhys factor, and it keeps almost constant in a temperature range from 10 K to 120 K. This result can be explained in terms of effects of fluctuations in the well thickness in the MQWs and the temperature on the exciton-phonon interaction. Project supported by the National Basic Research Program of China (Grant No. 2012CB619306), the Beijing Science and Technology Project, China (Grant No. Z151100003315024), and the National Natural Science Foundation of China (Grant No. 61404132).

  14. Demonstration of transverse-magnetic deep-ultraviolet stimulated emission from AlGaN multiple-quantum-well lasers grown on a sapphire substrate

    SciTech Connect

    Li, Xiao-Hang E-mail: dupuis@gatech.edu; Kao, Tsung-Ting; Satter, Md. Mahbub; Shen, Shyh-Chiang; Yoder, P. Douglas; Detchprohm, Theeradetch; Dupuis, Russell D. E-mail: dupuis@gatech.edu; Wei, Yong O.; Wang, Shuo; Xie, Hongen; Fischer, Alec M.; Ponce, Fernando A.

    2015-01-26

    We demonstrate transverse-magnetic (TM) dominant deep-ultraviolet (DUV) stimulated emission from photo-pumped AlGaN multiple-quantum-well lasers grown pseudomorphically on an AlN/sapphire template by means of photoluminescence at room temperature. The TM-dominant stimulated emission was observed at wavelengths of 239, 242, and 243 nm with low thresholds of 280, 250, and 290 kW/cm{sup 2}, respectively. In particular, the lasing wavelength of 239 nm is shorter compared to other reports for AlGaN lasers grown on foreign substrates including sapphire and SiC. The peak wavelength difference between the transverse-electric (TE)-polarized emission and TM-polarized emission was approximately zero for the lasers in this study, indicating the crossover of crystal-field split-off hole and heavy-hole valence bands. The rapid variation of polarization between TE- and TM-dominance versus the change in lasing wavelength from 243 to 249 nm can be attributed to a dramatic change in the TE-to-TM gain coefficient ratio for the sapphire-based DUV lasers in the vicinity of TE-TM switch.

  15. Effect of localization states on the electroluminescence spectral width of blue–green light emitting InGaN/GaN multiple quantum wells

    SciTech Connect

    Liu, Wei; Zhao, De Gang Jiang, De Sheng; Chen, Ping; Liu, Zong Shun; Zhu, Jian Jun; Li, Xiang; Shi, Ming; Zhao, Dan Mei; Liu, Jian Ping; Zhang, Shu Ming; Wang, Hui; Yang, Hui

    2015-11-15

    The electroluminescence (EL) spectra of blue–green light emitting InGaN/GaN multiple quantum well (MQW) structures grown via metal-organic chemical vapor deposition are investigated. With increasing In content in InGaN well layers, the peak energy redshifts, the emission intensity reduces and the inhomogeneous broadening of the luminescence band increases. In addition, it is found that the EL spectra shrink with increasing injection current at low excitation condition, which may be ascribed to both Coulomb screening of polarization field and carrier transferring from shallower localization states to the deeper ones, while at high currents the state-filling effect in all localization states may become significant and lead to a broadening of EL spectra. However, surprisingly, for the MQW sample with much higher In content, the EL spectral bandwidth can be almost unchanged with increasing current at the high current range, since a large number of carriers may be captured by the nonradiative recombination centers distributed outside the localized potential traps and the state-filling effect in the localization states is suppressed.

  16. Influence of InGaN growth rate on the localization states and optical properties of InGaN/GaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Li, X.; Zhao, D. G.; Yang, J.; Jiang, D. S.; Liu, Z. S.; Chen, P.; Zhu, J. J.; Liu, W.; He, X. G.; Li, X. J.; Liang, F.; Zhang, L. Q.; Liu, J. P.; Yang, H.; Zhang, Y. T.; Du, G. T.

    2016-09-01

    The localization effect is studied in blue-violet light emitting InGaN/GaN multiple quantum wells (MQWs) with varying InGaN growth rate. The temperature-dependent photoluminescence (PL) measurement shows that for higher-growth-rate samples two emission peaks appear in their PL spectra. Further analysis reveals that two different localization luminescence states (i.e., deep and shallow localization states) exist in the InGaN QWs with higher QW growth rate, and the competition of radiative recombination between the two localization states determines the relative intensity of the two emission peaks. It is also found that, as InGaN growth rate reduces, the deep localization state depth is almost unchanged while the shallow localization state weakens. When the QW growth rate reduces to a certain value, the shallow localization state disappears and only a single main peak induced by deep localization state appears in the PL spectra. Finally, it is noted that an intermediate InGaN growth rate results in a better light emission efficiency of the MQW.

  17. Net electron-phonon scattering rates in InN/GaN multiple quantum wells: The effects of an energy dependent acoustic deformation potential

    SciTech Connect

    Xia, H. Patterson, R.; Feng, Y.; Shrestha, S.; Conibeer, G.

    2014-08-11

    The rates of charge carrier relaxation by phonon emission are of substantial importance in the field of hot carrier solar cell, primarily in investigation of mechanisms to slow down hot carrier cooling. In this work, energy and momentum resolved deformation potentials relevant to electron-phonon scattering are computed for wurtzite InN and GaN as well as an InN/GaN multiple quantum well (MQW) superlattice using ab-initio methods. These deformation potentials reveal important features such as discontinuities across the electronic bandgap of the materials and variations over tens of eV. The energy dependence of the deformation potential is found to be very similar for wurtzite nitrides despite differences between the In and Ga pseudopotentials and their corresponding electronic band structures. Charge carrier relaxation by this mechanism is expected to be minimal for electrons within a few eV of the conduction band edge. However, hole scattering at energies more accessible to excitation by solar radiation is possible between heavy and light hole states. Moderate reductions in overall scattering rates are observed in MQW relative to the bulk nitride materials.

  18. Comparison study of photoluminescence from InGaN/GaN multiple quantum wells and InGaN epitaxial layers under large hydrostatic pressure

    SciTech Connect

    Shan, W.; Perlin, P.; Ager, J.W. III; Walukiewicz, W.; Haller, E.E.; McCluskey, M.D.; Johnson, N.M.; Bour, D.P.

    1998-09-01

    We report the results of a comparison study of photoluminescence (PL) from an In{sub 0.15}Ga{sub 0.85}N/GaN multiple-quantum-well (MQW) sample and an In{sub 0.11}Ga{sub 0.89}N thick epitaxial-layer sample, which have very similar band-gap energies. Large hydrostatic pressures were used for our investigations. The PL emissions in both samples were found to shift linearly to higher energy with applied pressure. In the MQW sample, the pressure response of the InGaN is dominated by the GaN layers, which leads to a significantly weaker pressure dependence as compared to the epilayer sample. Our results yield a pressure coefficient of 2.8{times}10{sup {minus}3}thinspeV/kbar for the In{sub 0.15}Ga{sub 0.85}N/GaN MQW sample and 4.0{times}10{sup {minus}3}thinspeV/kbar for the In{sub 0.11}Ga{sub 0.89}N epilayer. An abrupt decrease of PL intensity in both samples was observed at pressures above 100 kbar, indicating the carriers involved in the radiative recombination processes in the samples originate primarily from the adjacent GaN layers. {copyright} {ital 1998 American Institute of Physics.}

  19. Quantum dot imaging in the second near-infrared optical window: studies on reflectance fluorescence imaging depths by effective fluence rate and multiple image acquisition

    NASA Astrophysics Data System (ADS)

    Jung, Yebin; Jeong, Sanghwa; Nayoun, Won; Ahn, Boeun; Kwag, Jungheon; Geol Kim, Sang; Kim, Sungjee

    2015-04-01

    Quantum dot (QD) imaging capability was investigated by the imaging depth at a near-infrared second optical window (SOW; 1000 to 1400 nm) using time-modulated pulsed laser excitations to control the effective fluence rate. Various media, such as liquid phantoms, tissues, and in vivo small animals, were used and the imaging depths were compared with our predicted values. The QD imaging depth under excitation of continuous 20 mW/cm2 laser was determined to be 10.3 mm for 2 wt% hemoglobin phantom medium and 5.85 mm for 1 wt% intralipid phantom, which were extended by more than two times on increasing the effective fluence rate to 2000 mW/cm2. Bovine liver and porcine skin tissues also showed similar enhancement in the contrast-to-noise ratio (CNR) values. A QD sample was inserted into the abdomen of a mouse. With a higher effective fluence rate, the CNR increased more than twofold and the QD sample became clearly visualized, which was completely undetectable under continuous excitation. Multiple acquisitions of QD images and averaging process pixel by pixel were performed to overcome the thermal noise issue of the detector in SOW, which yielded significant enhancement in the imaging capability, showing up to a 1.5 times increase in the CNR.

  20. Fractional revivals, multiple-Schrödinger-cat states, and quantum carpets in the interaction of a qubit with N qubits

    NASA Astrophysics Data System (ADS)

    Dooley, Shane; Spiller, Timothy P.

    2014-07-01

    We study the dynamics of a system comprised of a single qubit interacting equally with N qubits (a "spin star" system). Although this model can be solved exactly, the exact solution does not give much intuition for the dynamics of the model. Here, we find an approximation that gives some insight into the dynamics for a particular class of initial spin-coherent states of the N qubits. We find an effective Hamiltonian for the system that is a finite Kerr (one-axis twisting) Hamiltonian for the N +1 qubits. The initial spin-coherent state evolves to spin-squeezed states on short time scales, and to "multiple-Schrödinger-cat" states (superpositions of many spin-coherent states) on longer time scales, a manifestation of the phenomenon of fractional revivals of the initial state. The evolution of the system is visualized with phase-space plots (Q functions) that, when plotted against time, reveal a "quantum carpet" pattern. Of particular interest is the fact that our approximation captures the qualitative features of the model even for small values of N. This suggests the possibility of observing the phenomenon of fractional revival in this model for systems of few qubits.

  1. Recombination dynamics of excitons with low non-radiative component in semi-polar (10-11)-oriented GaN/AlGaN multiple quantum wells

    SciTech Connect

    Rosales, D.; Gil, B.; Bretagnon, T.; Guizal, B.; Izyumskaya, N.; Monavarian, M.; Zhang, F.; Okur, S.; Avrutin, V.; Özgür, Ü.; Morkoç, H.

    2014-09-07

    Optical properties of GaN/Al{sub 0.2}Ga{sub 0.8}N multiple quantum wells grown with semi-polar (10-11) orientation on patterned 7°-off Si (001) substrates have been investigated. Studies performed at 8 K reveal the in-plane anisotropic behavior of the QW photoluminescence (PL) intensity for this semi-polar orientation. The time resolved PL measurements were carried out in the temperature range from 8 to 295 K to deduce the effective recombination decay times, with respective radiative and non-radiative contributions. The non-radiative component remains relatively weak with increasing temperature, indicative of high crystalline quality. The radiative decay time is a consequence of contribution from both localized and free excitons. We report an effective density of interfacial defects of 2.3 × 10{sup 12} cm{sup −2} and a radiative recombination time of τ{sub loc} = 355 ps for the localized excitons. This latter value is significantly larger than those reported for the non-polar structures, which we attribute to the presence of a weak residual electric field in the semi-polar QW layers.

  2. New Insights into Chain Order Dynamics and Structural Development in Sulfur-Vulcanized Natural Rubber Latex using Multiple Quantum NMR and Synchrotron X-Ray Diffraction

    NASA Astrophysics Data System (ADS)

    Che, Justin; Toki, Shigeyuki; Valentin, Juan; Brasero, Justo; Rong, Lixia; Hsiao, Benjamin S.

    2012-02-01

    Network structure, chain dynamics, and structural development in sulfur-vulcanized natural rubber latex were studied by Multiple-Quantum (MQ) NMR and synchrotron x-ray scattering. Three important processes that can influence rubber network structure and its overall mechanical properties were the main focus and analyzed by both of these techniques: pre-vulcanization, drying, and post-vulcanization. MQ NMR experiments can provide quantitative information regarding networks at very small length scales, including network defects, number of cross-links, and spatial distribution of cross-links. Structural development in natural rubber was studied under uniaxial deformation by in-situ synchrotron x-ray diffraction, which can provide information on network structures at much larger length scales. Molecular orientation and strain-induced crystallization was analyzed by both stress-strain relations and wide-angle x-ray diffraction (WAXD). The morphology of the latex rubber particle during deformation was analyzed by small-angle x-ray scattering (SAXS). The combination of these techniques can provide a considerable amount of information regarding rubber network structure.

  3. Three-dimensional indium distribution in electron-beam irradiated multiple quantum wells of blue-emitting InGaN/GaN devices

    NASA Astrophysics Data System (ADS)

    Jung, Woo-Young; Seol, Jae-Bok; Kwak, Chan-Min; Park, Chan-Gyung

    2016-03-01

    The compositional distribution of In atoms in InGaN/GaN multiple quantum wells is considered as one of the candidates for carrier localization center, which enhances the efficiency of the light-emitting diodes. However, two challenging issues exist in this research area. First, an inhomogeneous In distribution is initially formed by spinodal decomposition during device fabrication as revealed by transmission electron microscopy. Second, electron-beam irradiation during microscopy causes the compositional inhomogeneity of In to appear as a damage contrast. Here, a systematic approach was proposed in this study: Electron-beam with current density ranging from 0 to 20.9 A/cm2 was initially exposed to the surface regions during microscopy. Then, the electron-beam irradiated regions at the tip surface were further removed, and finally, atom probe tomography was performed to run the samples without beam-induced damage and to evaluate the existence of local inhomegenity of In atoms. We proved that after eliminating the electron-beam induced damage regions, no evidence of In clustering was observed in the blue-emitting InGaN/GaN devices. In addition, it is concluded that the electron-beam induced localization of In atoms is a surface-related phenomenon, and hence spinodal decomposition, which is typically responsible for such In clustering, is negligible for biaxially strained blue-emitting InGaN/GaN devices.

  4. Measurements and simulations of the optical gain and anti-reflection coating modal reflectivity in quantum cascade lasers with multiple active region stacks

    NASA Astrophysics Data System (ADS)

    Bidaux, Y.; Terazzi, R.; Bismuto, A.; Gresch, T.; Blaser, S.; Muller, A.; Faist, J.

    2015-09-01

    We report spectrally resolved gain measurements and simulations for quantum cascade lasers (QCLs) composed of multiple heterogeneous stacks designed for broadband emission in the mid-infrared. The measurement method is first demonstrated on a reference single active region QCL based on a double-phonon resonance design emitting at 7.8 μm. It is then extended to a three-stack active region based on bound-to-continuum designs with a broadband emission range from 7.5 to 10.5 μm. A tight agreement is found with simulations based on a density matrix model. The latter implements exhaustive microscopic scattering and dephasing sources with virtually no fitting parameters. The quantitative agreement is furthermore assessed by measuring gain coefficients obtained by studying the threshold current dependence with the cavity length. These results are particularly relevant to understand fundamental gain mechanisms in complex semiconductor heterostructure QCLs and to move towards efficient gain engineering. Finally, the method is extended to the measurement of the modal reflectivity of an anti-reflection coating deposited on the front facet of the broadband QCL.

  5. Exciton–phonon interaction in Al0.4Ga0.6N/Al0.53Ga0.47N multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Liu, Ya-Li; Jin, Peng; Liu, Gui-Peng; Wang, Wei-Ying; Qi, Zhi-Qiang; Chen, Chang-Qing; Wang, Zhan-Guo

    2016-08-01

    The exciton–phonon interaction in Al0.4Ga0.6N/Al0.53Ga0.47N multiple quantum wells (MQWs) is studied by deep-ultraviolet time-integrated and time-resolved photoluminescence (PL). Up to four longitudinal-optical (LO) phonon replicas of exciton recombination are observed, indicating the strong coupling of excitons with LO phonons in the MQWs. Moreover, the exciton–phonon coupling strength in the MQWs is quantified by the Huang–Rhys factor, and it keeps almost constant in a temperature range from 10 K to 120 K. This result can be explained in terms of effects of fluctuations in the well thickness in the MQWs and the temperature on the exciton–phonon interaction. Project supported by the National Basic Research Program of China (Grant No. 2012CB619306), the Beijing Science and Technology Project, China (Grant No. Z151100003315024), and the National Natural Science Foundation of China (Grant No. 61404132).

  6. Measurements and simulations of the optical gain and anti-reflection coating modal reflectivity in quantum cascade lasers with multiple active region stacks

    SciTech Connect

    Bidaux, Y.; Terazzi, R.; Bismuto, A.; Gresch, T.; Blaser, S.; Muller, A.; Faist, J.

    2015-09-07

    We report spectrally resolved gain measurements and simulations for quantum cascade lasers (QCLs) composed of multiple heterogeneous stacks designed for broadband emission in the mid-infrared. The measurement method is first demonstrated on a reference single active region QCL based on a double-phonon resonance design emitting at 7.8 μm. It is then extended to a three-stack active region based on bound-to-continuum designs with a broadband emission range from 7.5 to 10.5 μm. A tight agreement is found with simulations based on a density matrix model. The latter implements exhaustive microscopic scattering and dephasing sources with virtually no fitting parameters. The quantitative agreement is furthermore assessed by measuring gain coefficients obtained by studying the threshold current dependence with the cavity length. These results are particularly relevant to understand fundamental gain mechanisms in complex semiconductor heterostructure QCLs and to move towards efficient gain engineering. Finally, the method is extended to the measurement of the modal reflectivity of an anti-reflection coating deposited on the front facet of the broadband QCL.

  7. Low-Temperature Growth and Doping of Mercury-Based II-Vi Multiple Quantum Well Structures by Molecular Beam Epitaxy

    NASA Astrophysics Data System (ADS)

    Lansari, Yamina

    The growth of Hg-based single layers and multiple quantum well structures by conventional molecular beam epitaxy (MBE) and photoassisted MBE was studied. The use of photoassisted MBE, an epitaxial growth technique developed at NCSU, has resulted in a substantial reduction of the film growth temperature. Indeed, substrate temperatures 50 to 100^circC lower than those customarily used by others for conventional MBE growth of Hg-based layers were successfully employed. Photoassisted MBE allowed the preparation of excellent structural quality HgTe layers (FWHM for the (400) diffraction peak ~ 40 arcsec), HgCdTe layers (FWHM for the (400) diffraction peak ~ 14 arcsec), and HgTeCdTe superlattices (FWHM for the (400) diffraction peak ~ 28 arcsec). In addition, n-type and p-type modulation-doping of Hg-based multilayers was accomplished by photoassisted MBE. This technique has been shown to have a significant effect on the growth process kinetics as well as on the desorption rates of the film species, thereby affecting dopant incorporation mechanisms and allowing for the successful substitutional doping of the multilayer structures. Finally, surface morphology studies were completed using scanning electron microscopy (SEM) and Nomarsky optical microscopy to study the effects of substrate surface preparation, growth initiation, and growth parameters on the density of pyramidal hillocks, a common growth defect plaguing the Hg-based layers grown in the (100) direction. Conditions which minimize the hillock density for (100) film growth have been determined.

  8. Size effect on negative capacitance at forward bias in InGaN/GaN multiple quantum well-based blue LED

    NASA Astrophysics Data System (ADS)

    Bourim, El-Mostafa; Han, Jeong In

    2016-01-01

    Size effect of InGaN/GaN multiple quantum well (MQW) blue light emitting diodes (LEDs), on electrical characteristics in forward bias voltage at high injection current in light emission regime, is observed to induce a substantial dispersion in the current density and normalized negative capacitance (NC) (i.e., capacitance per chip area). The correction of normalized NC by considering the LED p- n junction series resistance has been found to be independent of chip area size with lateral dimensions ranging from 100 µm × 100 µm to 400 µm × 400 µm. This fact, confirms that the inductive effect which is usually behind the NC apparition is homogeneously and uniformly distributed across the entire device area and hence the dispersive characteristics are not related to local paths. From the characteristics of NC dependence on temperature, frequency and direct current bias, a mechanism based on the electrons/holes charge carriers conductivity difference is proposed to be responsible for the transient electron-hole pair recombination process inducing NC phenomenon. Direct measurement of light emission brightness under modulated frequency demonstrated that modulated light output evolution follows the same behavioral tendency as measured in NC under alternating current signal modulation. Thus it is concluded that the NC is valuable information which would be of practical interest in improving the characteristics and parameters relevant to LED p- n junction internal structure. [Figure not available: see fulltext.

  9. Suppression of metastable-phase inclusion in N-polar (0001{sup ¯}) InGaN/GaN multiple quantum wells grown by metalorganic vapor phase epitaxy

    SciTech Connect

    Shojiki, Kanako Iwabuchi, Takuya; Kuboya, Shigeyuki; Choi, Jung-Hun; Tanikawa, Tomoyuki; Hanada, Takashi; Katayama, Ryuji; Matsuoka, Takashi; Usami, Noritaka

    2015-06-01

    The metastable zincblende (ZB) phase in N-polar (0001{sup ¯}) (−c-plane) InGaN/GaN multiple quantum wells (MQWs) grown by metalorganic vapor phase epitaxy is elucidated by the electron backscatter diffraction measurements. From the comparison between the −c-plane and Ga-polar (0001) (+c-plane), the −c-plane MQWs were found to be suffered from the severe ZB-phase inclusion, while ZB-inclusion is negligible in the +c-plane MQWs grown under the same growth conditions. The ZB-phase inclusion is a hurdle for fabricating the −c-plane light-emitting diodes because the islands with a triangular shape appeared on a surface in the ZB-phase domains. To improve the purity of stable wurtzite (WZ)-phase, the optimum conditions were investigated. The ZB-phase is dramatically eliminated with decreasing the V/III ratio and increasing the growth temperature. To obtain much-higher-quality MQWs, the thinner InGaN wells and the hydrogen introduction during GaN barriers growth were tried. Consequently, MQWs with almost pure WZ phase and with atomically smooth surface have been demonstrated.

  10. Quantum Feynman Ratchet

    NASA Astrophysics Data System (ADS)

    Goyal, Ketan; Kawai, Ryoichi

    As nanotechnology advances, understanding of the thermodynamic properties of small systems becomes increasingly important. Such systems are found throughout physics, biology, and chemistry manifesting striking properties that are a direct result of their small dimensions where fluctuations become predominant. The standard theory of thermodynamics for macroscopic systems is powerless for such ever fluctuating systems. Furthermore, as small systems are inherently quantum mechanical, influence of quantum effects such as discreteness and quantum entanglement on their thermodynamic properties is of great interest. In particular, the quantum fluctuations due to quantum uncertainty principles may play a significant role. In this talk, we investigate thermodynamic properties of an autonomous quantum heat engine, resembling a quantum version of the Feynman Ratchet, in non-equilibrium condition based on the theory of open quantum systems. The heat engine consists of multiple subsystems individually contacted to different thermal environments.

  11. Strain induced variations in band offsets and built-in electric fields in InGaN/GaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Dong, L.; Mantese, J. V.; Avrutin, V.; Özgür, Ü.; Morkoç, H.; Alpay, S. P.

    2013-07-01

    The band structure, quantum confinement of charge carriers, and their localization affect the optoelectronic properties of compound semiconductor heterostructures and multiple quantum wells (MQWs). We present here the results of a systematic first-principles based density functional theory (DFT) investigation of the dependence of the valence band offsets and band bending in polar and non-polar strain-free and in-plane strained heteroepitaxial InxGa1-xN(InGaN)/GaN multilayers on the In composition and misfit strain. The results indicate that for non-polar m-plane configurations with [12¯10]InGaN//[12¯10]GaN and [0001]InGaN//[0001]GaN epitaxial alignments, the valence band offset changes linearly from 0 to 0.57 eV as the In composition is varied from 0 (GaN) to 1 (InN). These offsets are relatively insensitive to the misfit strain between InGaN and GaN. On the other hand, for polar c-plane strain-free heterostructures with [101¯0]InGaN//[101¯0]GaN and [12¯10]InGaN//[12¯10]GaN epitaxial alignments, the valence band offset increases nonlinearly from 0 eV (GaN) to 0.90 eV (InN). This is significantly reduced beyond x ≥ 0.5 by the effect of the equi-biaxial misfit strain. Thus, our results affirm that a combination of mechanical boundary conditions, epitaxial orientation, and variation in In concentration can be used as design parameters to rapidly tailor the band offsets in InGaN/GaN MQWs. Typically, calculations of the built-in electric field in complex semiconductor structures often must rely upon sequential optimization via repeated ab initio simulations. Here, we develop a formalism that augments such first-principles computations by including an electrostatic analysis (ESA) using Maxwell and Poisson's relations, thereby converting laborious DFT calculations into finite difference equations that can be rapidly solved. We use these tools to determine the bound sheet charges and built-in electric fields in polar epitaxial InGaN/GaN MQWs on c-plane Ga

  12. Coaxial In(x)Ga(1-x)N/GaN multiple quantum well nanowire arrays on Si(111) substrate for high-performance light-emitting diodes.

    PubMed

    Ra, Yong-Ho; Navamathavan, R; Park, Ji-Hyeon; Lee, Cheul-Ro

    2013-08-14

    We report the growth of high-quality nonpolar (m-plane) and semipolar (r-plane) multiple quantum well (MQW) nanowires (NWs) for high internal quantum efficiency light emitting diodes (LEDs) without polarization. Highly aligned and uniform In(x)Ga(1-x)N/GaN MQW layers are grown coaxially on the {1-100} sidewalls of hexagonal c-axis n-GaN NWs on Si(111) substrates by a pulsed flow metal-organic chemical vapor deposition (MOCVD) technique. The photoluminescence (PL) measurements reveal that the wavelength and intensity of an MQW structure with various pairs (2-20) are very stable and possess composition-dependent emission ranging from 369 to 600 nm. The cathodoluminescence (CL) spectrum of individual In(x)Ga(1-x)N/GaN MQW NW is dominated by band-edge emission at 369 and 440 nm with a relatively homogeneous profile of parallel alignment. High-resolution transmission electron microscopy (HR-TEM) studies of coaxial InxGa1-xN/GaN MQW NWs measured along the [0001] and [2-1-10] zone axes reveal that the grown NWs are uniform with six nonpolar m-plane facets without any dislocations and stacking faults. The p-GaN/In(x)Ga(1-x)N/GaN MQW/n-GaN NW coaxial LEDs show a current rectification with a sharp onset voltage at 2.65 V in the forward bias. The linear enhancement of power output could be attributed to the elimination of piezoelectric fields in the In(x)Ga(1-x)N/GaN MQW active region. The superior performance of coaxial NW LEDs is observed in comparison with that of thin film LEDs. Overall, the feasibility of obtaining low defect and strain free m-plane coaxial NWs using pulsed MOCVD can be utilized for the realization of high-power LEDs without an efficiency droop. These kinds of coaxial NWs are viable high surface area MQW structures which can be used to enhance the efficiency of LEDs.

  13. Characterization of the absorbance bleaching in AllnAs/AlGaInAs multiple-quantum wells for semiconductor saturable absorbers.

    SciTech Connect

    Wanke, Michael Clement; Cederberg, Jeffrey George; Alliman, Darrell L.; Bender, Daniel A.; Cross, Karen Charlene; Waldmueller, Ines

    2010-05-01

    Semiconductor saturable absorbers (SESAs) introduce loss into a solid-state laser cavity until the cavity field bleaches the absorber producing a high-energy pulse. Multiple quantum wells (MQWs) of AlGaInAs grown lattice-matched to InP have characteristics that make them attractive for SESAs. The band gap can be tuned around the target wavelength, 1064 nm, and the large conduction band offset relative to the AlInAs barrier material helps reduces the saturation fluence, and transparent substrate reduces nonsaturable losses. We have characterized the lifetime of the bleaching process, the modulation depth, the nonsaturable losses, and the saturation fluence associated with SESAs. We compare different growth conditions and structure designs. These parameters give insight into the quality of the epitaxy and effect structure design has on SESA performance in a laser cavity. AlGaInAs MQWs were grown by MOVPE using a Veeco D125 machine using methyl-substituted metal-organics and hydride sources at a growth temperature of 660 C at a pressure of 60 Torr. A single period of the basic SESA design consists of approximately 130 to 140 nm of AlInAs barrier followed by two AlGaInAs quantum wells separated by 10 nm AlInAs. This design places the QWs near the nodes of the 1064-nm laser cavity standing wave. Structures consisting of 10-, 20-, and 30-periods were grown and evaluated. The SESAs were measured at 1064 nm using an optical pump-probe technique. The absorbance bleaching lifetime varies from 160 to 300 nsec. The nonsaturable loss was as much as 50% for structures grown on n-type, sulfur-doped InP substrates, but was reduced to 16% when compensated, Fe-doped InP substrates were used. The modulation depth of the SESAs increased linearly from 9% to 30% with the number of periods. We are currently investigating how detuning the QW transition energy impacts the bleaching characteristics. We will discuss how each of these parameters impacts the laser performance.

  14. 3-hydroxy-2(1H)-pyridinone chelating agents

    DOEpatents

    Raymond, Kenneth N.; Xu, Jide

    1997-01-01

    Disclosed is a series of improved metal chelating agents, which are highly effective upon both injection and oral administration; several of the most effective are of low toxicity. These chelating agents incorporate within their structure 1-hydroxy-2-pyridinone (1,2-HOPO) and 3-hydroxy-2-pyridinone (3,2-HOPO) moieties with a substituted carbamoyl group ortho to the hydroxy or oxo groups of the hydroxypyridinone ring. The electron-withdrawing carbamoyl group increases the acidity of the hydroxypyridinones. In the metal complexes of said chelating agents, the amide protons form very strong hydrogen bonds with its adjacent HOPO oxygen donor, making these complexes very stable at physiological conditions. The terminal N-substituents provides a certain degree of lipophilicity to said 3,2-HOPO, increasing oral activity. Also disclosed is a method of making the chelating agents and a method of producing a known compound, 3-hydroxy-1-alkyl-2(1H)pyridinone, used as a precursor to the chelating agent, safely and in large quantities.

  15. Preliminary 1H NMR study on archaeological waterlogged wood.

    PubMed

    Maccotta, Antonella; Fantazzini, Paola; Garavaglia, Carla; Donato, Ines D; Perzia, Patrizia; Brai, Maria; Morreale, Filippa

    2005-01-01

    Magnetic Resonance Relaxation (MRR) and Magnetic Resonance Imaging (MRI) are powerful tools to obtain detailed information on the pore space structure that one is unlikely to obtain in other ways. These techniques are particularly suitable for Cultural Heritage materials, because they use water 1H nuclei as a probe. Interaction with water is one of the main causes of deterioration of materials. Porous structure in wood, for example, favours the penetration of water, which can carry polluting substances and promote mould growth. A particular case is waterlogged wood from underwater discoveries and moist sites; in fact, these finds are very fragile because of chemical, physical and biological decay from the long contact with the water. When wood artefacts are brought to the surface and directly dried in air, there is the collapse of the cellular structures, and wood loses its original form and dimensions and cannot be used for study and museum exhibits. In this work we have undertaken the study of some wood finds coming from Ercolano's harbour by MRR and MRI under different conditions, and we have obtained a characterization of pore space in wood and images of the spatial distribution of the confined water in the wood. PMID:16485652

  16. 3-hydroxy-2(1H)-pyridinone chelating agents

    DOEpatents

    Raymond, K.N.; Xu, J.

    1997-04-29

    Disclosed is a series of improved metal chelating agents, which are highly effective upon both injection and oral administration; several of the most effective are of low toxicity. These chelating agents incorporate within their structure 1-hydroxy-2-pyridinone (1,2-HOPO) and 3-hydroxy-2-pyridinone (3,2-HOPO) moieties with a substituted carbamoyl group ortho to the hydroxy or oxo groups of the hydroxypyridinone ring. The electron-withdrawing carbamoyl group increases the acidity of the hydroxypyridinones. In the metal complexes of the chelating agents, the amide protons form very strong hydrogen bonds with its adjacent HOPO oxygen donor, making these complexes very stable at physiological conditions. The terminal N-substituents provides a certain degree of lipophilicity to the 3,2-HOPO, increasing oral activity. Also disclosed is a method of making the chelating agents and a method of producing a known compound, 3-hydroxy-1-alkyl-2(1H)pyridinone, used as a precursor to the chelating agent, safely and in large quantities. 2 figs.

  17. Preliminary 1H NMR study on archaeological waterlogged wood.

    PubMed

    Maccotta, Antonella; Fantazzini, Paola; Garavaglia, Carla; Donato, Ines D; Perzia, Patrizia; Brai, Maria; Morreale, Filippa

    2005-01-01

    Magnetic Resonance Relaxation (MRR) and Magnetic Resonance Imaging (MRI) are powerful tools to obtain detailed information on the pore space structure that one is unlikely to obtain in other ways. These techniques are particularly suitable for Cultural Heritage materials, because they use water 1H nuclei as a probe. Interaction with water is one of the main causes of deterioration of materials. Porous structure in wood, for example, favours the penetration of water, which can carry polluting substances and promote mould growth. A particular case is waterlogged wood from underwater discoveries and moist sites; in fact, these finds are very fragile because of chemical, physical and biological decay from the long contact with the water. When wood artefacts are brought to the surface and directly dried in air, there is the collapse of the cellular structures, and wood loses its original form and dimensions and cannot be used for study and museum exhibits. In this work we have undertaken the study of some wood finds coming from Ercolano's harbour by MRR and MRI under different conditions, and we have obtained a characterization of pore space in wood and images of the spatial distribution of the confined water in the wood.

  18. 1H homonuclear editing of rat brain using semiselective pulses

    SciTech Connect

    Hetherington, H.P.; Avison, M.J.; Shulman, R.G.

    1985-05-01

    The authors have used a semiselective Hahn spin-echo sequence of the form (1331)-tau-(2662)-tau-AQ, delivered by a surface coil to obtain high-resolution 1H NMR spectra from the brains of intact dead rats. This sequence gave suppression of the tissue water resonance by a factor of 80,000 when tau = 68 ms. Delivery of a frequency-selective Dante pulse train to the alpha-CH resonance of lactate at 4.11 ppm, simultaneously with the 2662 refocusing pulse, altered the j-modulation in the spin-coupled beta-CH3 protons. Subtraction of this spectrum from one in which the Dante was ineffective gave an edited spectrum containing only the beta-CH3 resonance of lactate at 1.31 ppm. When the position of the Dante was shifted to 3.78 ppm to selectively invert the alpha-CH protons of alanine, an edited spectrum of alanine was obtained.

  19. Tacrine derivatives-acetylcholinesterase interaction: 1H NMR relaxation study.

    PubMed

    Delfini, Maurizio; Di Cocco, Maria Enrica; Piccioni, Fabiana; Porcelli, Fernando; Borioni, Anna; Rodomonte, Andrea; Del Giudice, Maria Rosaria

    2007-06-01

    Two acetylcholinesterase (AChE) inhibitors structurally related to Tacrine, 6-methoxytacrine (1a) and 9-heptylamino-6-methoxytacrine (1b), and their interaction with Electrophorus Electricus AChE were investigated. The complete assignment of the 1H and 13C NMR spectra of 1a and 1b was performed by mono-dimensional and homo- and hetero-correlated two-dimensional NMR experiments. This study was undertaken to elucidate the interaction modes between AChE and 1a and 1b in solution, using NMR. The interaction between the two inhibitors and AChE was studied by the analysis of the motional parameters non-selective and selective spin-lattice relaxation times, thereby allowing the motional state of 1a and 1b, both free and bound with AChE, to be defined. The relaxation data pointed out the ligands molecular moiety most involved in the binding with AChE. The relevant ligand/enzyme interaction constants were also evaluated for both compounds and resulted to be 859 and 5412M(-1) for 1a and1b, respectively.

  20. Quantum Walk Schemes for Universal Quantum Computation

    NASA Astrophysics Data System (ADS)

    Underwood, Michael S.

    Random walks are a powerful tool for the efficient implementation of algorithms in classical computation. Their quantum-mechanical analogues, called quantum walks, hold similar promise. Quantum walks provide a model of quantum computation that has recently been shown to be equivalent in power to the standard circuit model. As in the classical case, quantum walks take place on graphs and can undergo discrete or continuous evolution, though quantum evolution is unitary and therefore deterministic until a measurement is made. This thesis considers the usefulness of continuous-time quantum walks to quantum computation from the perspectives of both their fundamental power under various formulations, and their applicability in practical experiments. In one extant scheme, logical gates are effected by scattering processes. The results of an exhaustive search for single-qubit operations in this model are presented. It is shown that the number of distinct operations increases exponentially with the number of vertices in the scattering graph. A catalogue of all graphs on up to nine vertices that implement single-qubit unitaries at a specific set of momenta is included in an appendix. I develop a novel scheme for universal quantum computation called the discontinuous quantum walk, in which a continuous-time quantum walker takes discrete steps of evolution via perfect quantum state transfer through small 'widget' graphs. The discontinuous quantum-walk scheme requires an exponentially sized graph, as do prior discrete and continuous schemes. To eliminate the inefficient vertex resource requirement, a computation scheme based on multiple discontinuous walkers is presented. In this model, n interacting walkers inhabiting a graph with 2n vertices can implement an arbitrary quantum computation on an input of length n, an exponential savings over previous universal quantum walk schemes. This is the first quantum walk scheme that allows for the application of quantum error correction

  1. Quantitative 1H NMR: Development and Potential of an Analytical Method – an Update

    PubMed Central

    Pauli, Guido F.; Gödecke, Tanja; Jaki, Birgit U.; Lankin, David C.

    2012-01-01

    Covering the literature from mid-2004 until the end of 2011, this review continues a previous literature overview on quantitative 1H NMR (qHNMR) methodology and its applications in the analysis of natural products (NPs). Among the foremost advantages of qHNMR is its accurate function with external calibration, the lack of any requirement for identical reference materials, a high precision and accuracy when properly validated, and an ability to quantitate multiple analytes simultaneously. As a result of the inclusion of over 170 new references, this updated review summarizes a wealth of detailed experiential evidence and newly developed methodology that supports qHNMR as a valuable and unbiased analytical tool for natural product and other areas of research. PMID:22482996

  2. Total assignment of 1H and 13C NMR data for the sesquiterpene lactone 15-deoxygoyazensolide.

    PubMed

    Heleno, Vladimir Constantino Gomes; Crotti, Antônio Eduardo Miller; Constantino, Mauricio Gomes; Lopes, Norberto Peporine; Lopes, João Luis Callegari

    2004-03-01

    We describe a complete analysis of the 1H and 13C spectra of the anti-inflamatory, schistossomicidal and trypanosomicidal sesquiterpene lactone 15-deoxygoyazensolide. This lactone, with a structure similar to other important ones, was studied by NMR techniques such as COSY, HMQC, HMBC, Jres and NOE experiments. The comparison of the data with some computational results led to an unequivocal assignment of all hydrogen and carbon chemical shifts, even eliminating some previous ambiguities. We were able to determine all hydrogen coupling constants (J) and signal multiplicities and to confirm the stereochemistry. A new method for the determination of the relative position of the lactonization and the position of the ester group on a medium-sized ring by NMR was developed.

  3. Electron and hole microwave cyclotron resonance in photoexcited undoped GaAs/Al0.3Ga0.7As multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Kozhevnikov, M.; Cohen, E.; Ron, Arza; Shtrikman, Hadas

    1999-12-01

    We studied the microwave cyclotron resonance (CR) of photoexcited free and weakly localized electrons and holes in undoped GaAs/Al0.3Ga0.7As multiple quantum wells (MQW's) of various well widths. The photoinduced microwave absorption was measured at a frequency of ωmw=35.6 GHz and at various lattice temperatures in the range of TL=4.2-300 K. The interband excitation intensity was very low, so that the density of photogenerated electrons and holes was of the order of n<=108 cm-2. In all the studied QW's, an electron CR was observed, while a heavy hole CR was measured only in narrow QW's. By model fitting the CR line shape, the electron and hole cyclotron masses and the electron scattering rate dependence on TL and on the microwave power were obtained. Assuming that the electron in-plane mobility at ωmw is proportional to the inverse scattering rate, we find that it varies in the range of (0.8-8)×105 cm2V-1 sec-1 for 100 Å and 200 Å MQW's. This is less than the mobility measured in modulation doped QW's of similar widths. We present a detailed analysis of the temperature dependence of the electron scattering rate by combining the electron-phonon, electron-impurity, and electron-interface roughness scattering rates. The latter is found to be an important scattering mechanism in undoped MQW's at low temperatures. The CR analysis also shows that the electron cyclotron mass varies (in the range of 0.055-0.070m0) with increasing either TL or the microwave power. These variations are interpreted in terms of weak electron localization in large area, in-plane potential fluctuations arising from interface roughness.

  4. Single nanowire light-emitting diodes using uniaxial and coaxial InGaN/GaN multiple quantum wells synthesized by metalorganic chemical vapor deposition.

    PubMed

    Ra, Yong-Ho; Navamathavan, Rangaswamy; Yoo, Hee-Il; Lee, Cheul-Ro

    2014-03-12

    We report the controlled synthesis of InGaN/GaN multiple quantum well (MQW) uniaxial (c-plane) and coaxial (m-plane) nanowire (NW) heterostructures by metalorganic chemical vapor deposition. Two kinds of heterostructure NW light-emitting diodes (LEDs) have been fabricated: (1) 10 pairs of InGaN/GaN MQW layers in the c-plane on the top of n-GaN NWs where Mg-doped p-GaN NW is axially grown (2) p-GaN/10 pairs of InGaN/GaN shell structure were surrounded by n-GaN core. Here, we discuss a comparative analysis based on the m-plane and the c-plane oriented InGaN/GaN MQW NW arrays. High-resolution transmission electron microscopy studies revealed that the barrier and the well structures of MQW were observed to be substantially clear with regular intervals while the interface regions were extremely sharp. The c-plane and m-plane oriented MQW single NW was utilized for the parallel assembly fabrication of the LEDs via a focused ion beam. The polarization induced effects on the c-plane and m-plane oriented MQW NWs were precisely compared via power dependence electroluminescence. The electrical properties of m-plane NWs exhibited superior characteristics than that of c-plane NWs owing to the absence of piezoelectric polarization fields. According to this study, high-quality m-plane coaxial NWs can be utilized for the realization of high-brightness LEDs.

  5. Pressure dependence of optical transitions in In{sub 0.15}Ga{sub 0.85}N/GaN multiple quantum wells

    SciTech Connect

    Shan, W.; Ager, J.W. III, and; Walukiewicz, W.; Haller, E.E. |; McCluskey, M.D.; Johnson, N.M.; Bour, D.P.

    1998-10-01

    The effects of hydrostatic pressure on optical transitions in In{sub 0.15}Ga{sub 0.85}N/GaN multiple quantum wells (MQW{close_quote}s) have been studied. The optical transition associated with confined electron and hole states in the MQW{close_quote}s was found to shift linearly to higher energy with pressure but exhibit a significantly weaker pressure dependence compared to bulklike thick epitaxial-layer samples. Similar pressure coefficients obtained by both photomodulation and photoluminescence measurements rule out the possibility of the transition involving localized states deep in the band gap. We found that the difference in the compressibility of In{sub x}Ga{sub 1{minus}x}N and GaN induces a tensile strain in the compressively strained In{sub x}Ga{sub 1{minus}x}N well layers, partially compensating the externally applied hydrostatic pressure. This mechanical effect is primarily responsible for the smaller pressure dependence of the optical transitions in the In{sub x}Ga{sub 1{minus}x}N/GaN MQW{close_quote}s. In addition, the pressure-dependent measurements allow us to identify a spectral feature observed at an energy below the GaN band gap. We conclude that this feature is due to transitions from ionized Mg acceptor states to the conduction band in the {ital p}-type GaN cladding layer rather than a confined transition in the MQW{close_quote}s. {copyright} {ital 1998} {ital The American Physical Society}

  6. Modulating dual-wavelength multiple quantum wells in white light emitting diodes to suppress efficiency droop and improve color rendering index

    SciTech Connect

    Zhao, Yukun; Wang, Shuai; Zheng, Min; Ding, Wen; Yun, Feng; Su, Xilin; Yang, Xiangrong; Liu, Shuo; Guo, Maofeng; Zhang, Ye

    2015-10-14

    In this paper, gallium nitride (GaN) based white light-emitting diodes (WLEDs) with modulated quantities of blue (In{sub 0.15}Ga{sub 0.85}N) quantum wells (QWs) and cyan QWs (In{sub 0.18}Ga{sub 0.82}N) in multiple QW (MQW) structures have been investigated numerically and experimentally. It is demonstrated that the optical performance of LEDs is sensitive to the quantities of cyan QWs in dual-wavelength MQW structures. Compared to the LEDs with respective 0, 4, and 8 cyan QWs (12 QWs in total), the optical performance of the sample with 6 cyan QWs is the best. The deterioration of the optical performance in the sample with less (4 pairs) cyan QWs or more (8 pairs) cyan QWs than 6 cyan QWs may be ascribed to weakened reservoir effect or more defects induced. Compared to conventional blue LEDs (12 blue QWs), the sample with 6 cyan QWs could effectively suppress the efficiency droop (the experimental droop ratio decreases from 50.3% to 39.5% at 80 A/cm{sup 2}) and significantly improve the color rendering index (CRI, increases from 66.4 to 77.0) simultaneously. We attribute the droop suppression to the strengthened reservoir effect and carrier confinement of deeper QWs (higher indium composition) incorporated in the dual-wavelength MQW structures, which lead to the better hole spreading and enhanced radiative recombination. Meanwhile, the remarkable experimental CRI improvement may result from the wider full-width at half-maximum of electroluminescence spectra and higher cyan intensity in WLED chips with dual-wavelength MQW structures.

  7. Application of ICA to realistically simulated 1H-MRS data

    PubMed Central

    Kalyanam, Ravi; Boutte, David; Hutchison, Kent E; Calhoun, Vince D

    2015-01-01

    Introduction 1H-MRS signals from brain tissues capture information on in vivo brain metabolism and neuronal biomarkers. This study aims to advance the use of independent component analysis (ICA) for spectroscopy data by objectively comparing the performance of ICA and LCModel in analyzing realistic data that mimics many of the known properties of in vivo data. Methods This work identifies key features of in vivo 1H-MRS signals and presents methods to simulate realistic data, using a basis set of 12 metabolites typically found in the human brain. The realistic simulations provide a much needed ground truth to evaluate performances of various MRS analysis methods. ICA is applied to collectively analyze multiple realistic spectra and independent components identified with our generative model to obtain ICA estimates. These same data are also analyzed using LCModel and the comparisons between the ground-truth and the analysis estimates are presented. The study also investigates the potential impact of modeling inaccuracies by incorporating two sets of model resonances in simulations. Results The simulated fid signals incorporating line broadening, noise, and residual water signal closely resemble the in vivo signals. Simulation analyses show that the resolution performances of both LCModel and ICA are not consistent across metabolites and that while ICA resolution can be improved for certain resonances, ICA is as effective as, or better than, LCModel in resolving most model resonances. Conclusion The results show that ICA can be an effective tool in comparing multiple spectra and complements existing approaches for providing quantified estimates. PMID:26221570

  8. 1H MRSI of middle frontal gyrus in pediatric ADHD.

    PubMed

    Tafazoli, Sharwin; O'Neill, Joseph; Bejjani, Anthony; Ly, Ronald; Salamon, Noriko; McCracken, James T; Alger, Jeffry R; Levitt, Jennifer G

    2013-04-01

    Neuroimaging studies in multiple modalities have implicated the left or right dorsolateral prefrontal cortex (here, middle frontal gyrus) in attentional functions, in ADHD, and in dopamine agonist treatment of ADHD. The far lateral location of this cortex in the brain, however, has made it difficult to study with magnetic resonance spectroscopy (MRS). We used the smaller voxel sizes of the magnetic resonance spectroscopic imaging (MRSI) variant of MRS, acquired at a steep coronal-oblique angle to sample bilateral middle frontal gyrus in 13 children and adolescents with ADHD and 13 age- and sex-matched healthy controls. Within a subsample of the ADHD patients, aspects of attention were also assessed with the Trail Making Task. In right middle frontal gyrus only, mean levels of N-acetyl-aspartate + N-acetyl-aspartyl-glutamate (tNAA), creatine + phosphocreatine (Cr), choline-compounds (Cho), and myo-inositol (mI) were significantly lower in the ADHD than in the control sample. In the ADHD patients, lower right middle frontal Cr was associated with worse performance on Trails A and B (focused attention, concentration, set-shifting), while the opposite relationship held true for the control group on Trails B. These findings add to evidence implicating right middle frontal cortex in ADHD. Lower levels of these multiple species may reflect osmotic adjustment to elevated prefrontal cortical perfusion in ADHD and/or a previously hypothesized defect in astrocytic production of lactate in ADHD resulting in decelerated energetic metabolism (Cr), membrane synthesis (Cho, mI), and acetyl-CoA substrate for NAA synthesis. Lower Cr levels may indicate attentional or executive impairments. PMID:23273650

  9. Gold-catalyzed cycloisomerization of 1,6-diyne carbonates and esters to 2,4a-dihydro-1H-fluorenes.

    PubMed

    Rao, Weidong; Koh, Ming Joo; Li, Dan; Hirao, Hajime; Chan, Philip Wai Hong

    2013-05-29

    A synthetic method to prepare 2,4a-dihydro-1H-fluorenes efficiently from gold(I)-catalyzed 1,2-acyloxy migration/cyclopropenation/Nazarov cyclization of 1,6-diyne carbonates and esters is described. The suggested reaction pathway provides rare examples of [2,3]-sigmatropic rearrangement in this class of compounds as well as the involvement of an in situ formed cyclopropene intermediate in gold catalysis. Experimental and ONIOM(QM:QM') [our own n-layered integrated molecular orbital and molecular mechanics(quantum mechanics:quantum mechanics')] computational studies based on the proposed Au carbenoid species provide insight into this unique selectivity. PMID:23627597

  10. Scaling and labeling the high-resolution isotropic axis of two-dimensional multiple-quantum magic-angle-spinning spectra of half-integer quadrupole spins

    NASA Astrophysics Data System (ADS)

    Man, Pascal P.

    1998-08-01

    The dynamics of half-integer quadrupole spins (I=32, 52, 72, and 92) during the multiple-quantum (MQ) magic-angle spinning experiment with the two-pulse sequence, a recent NMR method, is analyzed in order to scale in frequency unit and label in ppm (the chemical shift unit) the high-resolution isotropic axis of a two-dimensional (2D) spectrum. Knowledge of the two observed chemical shifts (δ(obs)G1 and δ(obs)G2) of the center of gravity of an MQ-filtered central-transition peak in the two dimensions allows us to determine the true isotropic chemical shift of an absorption line, which is related to the mean bond angle in a compound. Only the isotropic chemical shift and the second-order quadrupole interaction for a sample rotating at the magic angle at a high spinning rate are considered during the free precession of the spin system. On the other hand, only the first-order quadrupole interaction for a static sample is considered during the pulses. The hypercomplex detection method is used to obtain a pure 2D absorption spectrum. The pulse program and the successive stages of data processing are described. For simplicity, only the density matrix for a spin I=32 at the end of the first pulse of phase φ is calculated in detail, which allows us to deduce the phase cycling of the pulse sequence that selectively detects the +/-3-quantum coherences generated by the first pulse. The positions of the echo and antiecho relative to the second pulse, and that of the MQ-filtered central-transition peak relative to the carrier frequency (ω0) along the F1 dimension are derived for the four half-integer quadrupole spins. The frequency offset of ω0 relative to an external aqueous solution in the F1 dimension is linearly related to that in the F2 dimension. The shearing transformation, whose main interest is to shift the beginning of the acquisition period from the end of the second pulse to the echo position and to yield a high-resolution spectrum along the F1 dimension, is

  11. 40 CFR 721.10373 - 1H-Imidazole, 1-(1-methylethyl)-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false 1H-Imidazole, 1-(1-methylethyl)-. 721... Substances § 721.10373 1H-Imidazole, 1-(1-methylethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1H-imidazole, 1-(1-methylethyl)- (PMN...

  12. 40 CFR 721.10373 - 1H-Imidazole, 1-(1-methylethyl)-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false 1H-Imidazole, 1-(1-methylethyl)-. 721... Substances § 721.10373 1H-Imidazole, 1-(1-methylethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1H-imidazole, 1-(1-methylethyl)- (PMN...

  13. 40 CFR 721.10373 - 1H-Imidazole, 1-(1-methylethyl)-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false 1H-Imidazole, 1-(1-methylethyl)-. 721... Substances § 721.10373 1H-Imidazole, 1-(1-methylethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1H-imidazole, 1-(1-methylethyl)- (PMN...

  14. Complete assignments of 1H and 13C NMR data for ten phenylpiperazine derivatives.

    PubMed

    Xiao, Zhihui; Yuan, Mu; Zhang, Si; Wu, Jun; Qi, Shuhua; Li, Qingxin

    2005-10-01

    Ten phenylpiperazine derivatives were designed and synthesized. The first complete assignments of (1)H and (13)C NMR chemical shifts for these phenylpiperazine derivatives were achieved by means of 1D and 2D NMR techniques, including (1)H-(1)H COSY, HSQC and HMBC spectra.

  15. Complete assignments of 1H and 13C NMR data for 10 phenylethanoid glycosides.

    PubMed

    Wu, Jun; Huang, Jianshe; Xiao, Qiang; Zhang, Si; Xiao, Zhihui; Li, Qingxin; Long, Lijuan; Huang, Liangmin

    2004-07-01

    Ten phenylethanoid glycosides, including two new ones, isolated from the aerial parts of the mangrove plant Acanthus ilicifolius were identified. The first complete assignments of the 1H and 13C NMR chemical shifts for these glycosides were achieved by means of 2D NMR techniques, including 1H-1H COSY, TOCSY, HSQC and HMBC spectra.

  16. Evaluating the well-to-well distribution of radiative recombination rates in semi-polar (11\\bar{2}2) InGaN multiple-quantum-well light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Funato, Mitsuru; Matsufuji, Kohei; Kawakami, Yoichi

    2016-07-01

    The distribution of well-to-well radiative recombination rates (RRRs) in an electrically driven semi-polar (11\\bar{2}2) InGaN multiple-quantum-well light-emitting diode (LED) is investigated within an electron–hole recombination picture. Compared to the reference (0001) LED, the (11\\bar{2}2) LED exhibits uniform well-to-well RRR distributions, which are less dependent on the injection current, because of the weaker polarization field. The smaller dependence of the RRR distribution on the injection current suggests that (11\\bar{2}2) LEDs can be applied to polychromatic LEDs consisting of quantum wells with different emission colors in electrical series because a current-insensitive apparent emission color is expected. A proof-of-concept polychromatic LED is demonstrated on the semi-polar (11\\bar{2}2) plane.

  17. 1H NMR metabolomics of earthworm responses to polychlorinated biphenyl (PCB) exposure in soil.

    PubMed

    Whitfield Åslund, Melissa L; Simpson, André J; Simpson, Myrna J

    2011-06-01

    (1)H NMR-based metabolomics was used to examine the metabolic profile of D(2)O-buffer extracted tissues of Eisenia fetida earthworms exposed for 2 days to an artificial soil spiked with sub-lethal concentrations of polychlorinated biphenyls (PCBs) (0, 0.5, 1, 5, 10, or 25 mg/kg Aroclor 1254). Univariate statistical analysis of the identified metabolites revealed a significant increase in ATP concentration in earthworms exposed to the highest soil PCB concentration, but detected no significant changes in other metabolites. However, a multivariate approach which considers alterations in multiple metabolites simultaneously, identified a significant linear relationship between earthworm metabolic profiles and PCB concentration (cross-validated PLS-regression with 7 components, R(2)X = 0.99, R(2)Y = 0.77, Q(2)Y = 0.45, P < 0.001). Significant changes in pair-wise metabolic correlations were also detected as PCB concentration increased. For example, lysine and ATP concentrations showed no apparent correlation in control earthworms (r = 0.22, P = 0.54), but were positively correlated in earthworms from the 25 mg/kg treatment (r = 0.87, P = 0.001). Overall, the observed metabolic responses suggest that PCBs disrupted both carbohydrate (energy) metabolism and membrane (osmolytic) function in E. fetida. The ability of (1)H NMR-based metabolomics to detect these responses suggests that this method offers significant potential for direct assessment of sub-lethal PCB toxicity in soil. PMID:21424327

  18. Complete 1H NMR spectral analysis of ten chemical markers of Ginkgo biloba

    PubMed Central

    Napolitano, José G.; Lankin, David C.; Chen, Shao-Nong; Pauli, Guido F.

    2013-01-01

    The complete and unambiguous 1H NMR assignments of ten marker constituents of Ginkgo biloba are described. The comprehensive 1H NMR profiles (fingerprints) of ginkgolide A, ginkgolide B, ginkgolide C, ginkgolide J, bilobalide, quercetin, kaempferol, isorhamnetin, isoquercetin, and rutin in DMSO-d6 were obtained through the examination of 1D 1H NMR and 2D 1H,1H-COSY data, in combination with 1H iterative Full Spin Analysis (HiFSA). The computational analysis of discrete spin systems allowed a detailed characterization of all the 1H NMR signals in terms of chemical shifts (δH) and spin-spin coupling constants (JHH), regardless of signal overlap and higher order coupling effects. The capability of the HiFSA-generated 1H fingerprints to reproduce experimental 1H NMR spectra at different field strengths was also evaluated. As a result of this analysis, a revised set of 1H NMR parameters for all ten phytoconstituents was assembled. Furthermore, precise 1H NMR assignments of the sugar moieties of isoquercetin and rutin are reported for the first time. PMID:22730238

  19. Quantum computing

    PubMed Central

    Li, Shu-Shen; Long, Gui-Lu; Bai, Feng-Shan; Feng, Song-Lin; Zheng, Hou-Zhi

    2001-01-01

    Quantum computing is a quickly growing research field. This article introduces the basic concepts of quantum computing, recent developments in quantum searching, and decoherence in a possible quantum dot realization. PMID:11562459

  20. Unique Backbone-Water Interaction Detected in Sphingomyelin Bilayers with 1H/31P and 1H/13C HETCOR MAS NMR Spectroscopy

    PubMed Central

    Holland, Gregory P.; Alam, Todd M.

    2008-01-01

    Two-dimensional 1H/31P dipolar heteronuclear correlation (HETCOR) magic-angle spinning nuclear magnetic resonance (NMR) is used to investigate the correlation of the lipid headgroup with various intra- and intermolecular proton environments. Cross-polarization NMR techniques involving 31P have not been previously pursued to a great extent in lipid bilayers due to the long 1H-31P distances and high degree of headgroup mobility that averages the dipolar coupling in the liquid crystalline phase. The results presented herein show that this approach is very promising and yields information not readily available with other experimental methods. Of particular interest is the detection of a unique lipid backbone-water intermolecular interaction in egg sphingomyelin (SM) that is not observed in lipids with glycerol backbones like phosphatidylcholines. This backbone-water interaction in SM is probed when a mixing period allowing magnetization exchange between different 1H environments via the nuclear Overhauser effect (NOE) is included in the NMR pulse sequence. The molecular information provided by these 1H/31P dipolar HETCOR experiments with NOE mixing differ from those previously obtained by conventional NOE spectroscopy and heteronuclear NOE spectroscopy NMR experiments. In addition, two-dimensional 1H/13C INEPT HETCOR experiments with NOE mixing support the 1H/31P dipolar HETCOR results and confirm the presence of a H2O environment that has nonvanishing dipolar interactions with the SM backbone. PMID:18390621

  1. Proton-detected 3D (15)N/(1)H/(1)H isotropic/anisotropic/isotropic chemical shift correlation solid-state NMR at 70kHz MAS.

    PubMed

    Pandey, Manoj Kumar; Yarava, Jayasubba Reddy; Zhang, Rongchun; Ramamoorthy, Ayyalusamy; Nishiyama, Yusuke

    2016-01-01

    Chemical shift anisotropy (CSA) tensors offer a wealth of information for structural and dynamics studies of a variety of chemical and biological systems. In particular, CSA of amide protons can provide piercing insights into hydrogen-bonding interactions that vary with the backbone conformation of a protein and dynamics. However, the narrow span of amide proton resonances makes it very difficult to measure (1)H CSAs of proteins even by using the recently proposed 2D (1)H/(1)H anisotropic/isotropic chemical shift (CSA/CS) correlation technique. Such difficulties due to overlapping proton resonances can in general be overcome by utilizing the broad span of isotropic chemical shifts of low-gamma nuclei like (15)N. In this context, we demonstrate a proton-detected 3D (15)N/(1)H/(1)H CS/CSA/CS correlation experiment at fast MAS frequency (70kHz) to measure (1)H CSA values of unresolved amide protons of N-acetyl-(15)N-l-valyl-(15)N-l-leucine (NAVL).

  2. Mechanistic Assessment of PD-1H Coinhibitory Receptor-Induced T Cell Tolerance to Allogeneic Antigens.

    PubMed

    Flies, Dallas B; Higuchi, Tomoe; Chen, Lieping

    2015-06-01

    PD-1H is a recently identified cell surface coinhibitory molecule of the B7/CD28 immune modulatory gene family. We showed previously that single injection of a PD-1H agonistic mAb protected mice from graft-versus-host disease (GVHD). In this study, we report two distinct mechanisms operate in PD-1H-induced T cell tolerance. First, signaling via PD-1H coinhibitory receptor potently arrests alloreactive donor T cells from activation and expansion in the initiation phase. Second, donor regulatory T cells are subsequently expanded to maintain long-term tolerance and GVHD suppression. Our study reveals the crucial function of PD-1H as a coinhibitory receptor on alloreactive T cells and its function in the regulation of T cell tolerance. Therefore, PD-1H may be a target for the modulation of alloreactive T cells in GVHD and transplantation. PMID:25917101

  3. Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Auletta, Gennaro; Fortunato, Mauro; Parisi, Giorgio

    2014-01-01

    Introduction; Part I. Basic Features of Quantum Mechanics: 1. From classical mechanics to quantum mechanics; 2. Quantum observable and states; 3. Quantum dynamics; 4. Examples of quantum dynamics; 5. Density matrix; Part II. More Advanced Topics: 6. Angular momentum and spin; 7. Identical particles; 8. Symmetries and conservation laws; 9. The measurement problem; Part III. Matter and Light: 10. Perturbations and approximation methods; 11. Hydrogen and helium atoms; 12. Hydrogen molecular ion; 13. Quantum optics; Part IV. Quantum Information: State and Correlations: 14. Quantum theory of open systems; 15. State measurement in quantum mechanics; 16. Entanglement: non-separability; 17. Entanglement: quantum information; References; Index.

  4. Design analysis of phosphor-free monolithic white light-emitting-diodes with InGaN/ InGaN multiple quantum wells on ternary InGaN substrates

    SciTech Connect

    Ooi, Yu Kee Zhang, Jing

    2015-05-15

    Phosphor-free monolithic white light emitting diodes (LEDs) based on InGaN/ InGaN multiple quantum wells (MQWs) on ternary InGaN substrates are proposed and analyzed in this study. Simulation studies show that LED devices composed of multi-color-emitting InGaN/ InGaN quantum wells (QWs) employing ternary InGaN substrate with engineered active region exhibit stable white color illumination with large output power (∼ 170 mW) and high external quantum efficiency (EQE) (∼ 50%). The chromaticity coordinate for the investigated monolithic white LED devices are located at (0.30, 0.28) with correlated color temperature (CCT) of ∼ 8200 K at J = 50 A/cm{sup 2}. A reference LED device without any nanostructure engineering exhibits green color emission shows that proper engineered structure is essential to achieve white color illumination. This proof-of-concept study demonstrates that high-efficiency and cost-effective phosphor-free monolithic white LED is feasible by the use of InGaN/ InGaN MQWs on ternary InGaN substrate combined with nanostructure engineering, which would be of great impact for solid state lighting.

  5. Well-width dependence of optical properties of rare-earth ion-doped ZnS0.8Se0.2/undoped ZnS multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Tanaka, Masanori; Yamada, Hisashi; Maruyama, Takahiro; Akimoto, Katsuhiro

    2003-01-01

    We compare optical properties of Sm3+-doped ZnS0.8Se0.2/undoped ZnS multiple-quantum wells (MQWs) with different well widths (2, 5, 10 monolayers) and bulk ZnS0.8Se0.2:Sm3+ crystal. The excitonic peak in the photoluminescence excitation spectrum of the Sm3+ luminescence shifts to the shorter-wavelength side with reducing well width, which shows that the excitation of Sm3+ occurs through the energy transfer from the spatially confined excitons. The activation energy of the thermal quenching of the Sm3+ luminescence is found to increase with reducing well width. This result is interpreted as due to the difference in the spatial confinement effect on the binding energy of the free exciton. In addition, the quantum efficiency of the Sm3+ luminescence at 4 K is found to increase remarkably with reducing well width. At this temperature, the quantum efficiency of the two monolayers MQW sample is more than 16 times as high as that of the bulk sample. Probable causes of this fact are discussed.

  6. Spectral properties of 1H-pyrazolo[3,4-b]quinoline substituted with N,N-diethylamine moiety

    NASA Astrophysics Data System (ADS)

    Kolbus, Anna; Grabka, Danuta; Danel, Andrzej; Szary, Karol

    2016-07-01

    Photophysical properties of 6-N,N-diethyl-3-methyl-1-phenyl-1H-pyrazol[3,4-b]quinoline (DEPQ), a potential material for electroluminescent applications, were investigated. The absorption and fluorescence spectra and fluorescence lifetimes were recorded in a great number of solvents with different polarity. The red shifts in absorption and fluorescence maxima with the solvent's polarity were observed. Different trends in values of quantum yield for non-polar and polar solvents suggest two different deactivation ways of the excited state, depending on solvent polarity. DEPQ in non-polar solvents emits from locally excited states while deactivation DEPQ in polar solvents indicates charge transfer (CT) fluorescence. Several electro-optical parameters were also calculated.

  7. InGaN/GaN multiple-quantum-well light-emitting diodes with a grading InN composition suppressing the Auger recombination

    SciTech Connect

    Zhang, Zi-Hui; Liu, Wei; Ju, Zhengang; Tan, Swee Tiam; Ji, Yun; Kyaw, Zabu; Zhang, Xueliang; Wang, Liancheng; Sun, Xiao Wei E-mail: VOLKAN@stanfordalumni.org; Demir, Hilmi Volkan E-mail: VOLKAN@stanfordalumni.org

    2014-07-21

    In conventional InGaN/GaN light-emitting diodes (LEDs), thin InGaN quantum wells are usually adopted to mitigate the quantum confined Stark effect (QCSE), caused due to strong polarization induced electric field, through spatially confining electrons and holes in small recombination volumes. However, this inevitably increases the carrier density in quantum wells, which in turn aggravates the Auger recombination, since the Auger recombination scales with the third power of the carrier density. As a result, the efficiency droop of the Auger recombination severely limits the LED performance. Here, we proposed and showed wide InGaN quantum wells with the InN composition linearly grading along the growth orientation in LED structures suppressing the Auger recombination and the QCSE simultaneously. Theoretically, the physical mechanisms behind the Auger recombination suppression are also revealed. The proposed LED structure has experimentally demonstrated significant improvement in optical output power and efficiency droop, proving to be an effective solution to this important problem of Auger recombination.

  8. Electron transport in unipolar InGaN/GaN multiple quantum well structures grown by NH{sub 3} molecular beam epitaxy

    SciTech Connect

    Browne, David A.; Speck, James S.; Mazumder, Baishakhi; Wu, Yuh-Renn

    2015-05-14

    Unipolar-light emitting diode like structures were grown by NH{sub 3} molecular beam epitaxy on c plane (0001) GaN on sapphire templates. Studies were performed to experimentally examine the effect of random alloy fluctuations on electron transport through quantum well active regions. These unipolar structures served as a test vehicle to test our 2D model of the effect of compositional fluctuations on polarization-induced barriers. Variables that were systematically studied included varying quantum well number from 0 to 5, well thickness of 1.5 nm, 3 nm, and 4.5 nm, and well compositions of In{sub 0.14}Ga{sub 0.86}N and In{sub 0.19}Ga{sub 0.81}N. Diode-like current voltage behavior was clearly observed due to the polarization-induced conduction band barrier in the quantum well region. Increasing quantum well width and number were shown to have a significant impact on increasing the turn-on voltage of each device. Temperature dependent IV measurements clearly revealed the dominant effect of thermionic behavior for temperatures from room temperature and above. Atom probe tomography was used to directly analyze parameters of the alloy fluctuations in the quantum wells including amplitude and length scale of compositional variation. A drift diffusion Schrödinger Poisson method accounting for two dimensional indium fluctuations (both in the growth direction and within the wells) was used to correctly model the turn-on voltages of the devices as compared to traditional 1D simulation models.

  9. Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents

    PubMed Central

    2011-01-01

    Six organometallic complexes of the general formula [MIICl(η6-p-cymene)(L)]Cl, where M = Ru (11a, 12a, 13a) or Os (11b, 12b, 13b) and L = 3-(1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines (L1–L3) have been synthesized. The latter are known as potential cyclin-dependent kinase (Cdk) inhibitors. All compounds have been comprehensively characterized by elemental analysis, one- and two-dimensional NMR spectroscopy, UV–vis spectroscopy, ESI mass spectrometry, and X-ray crystallography (11b and 12b). The multistep synthesis of 3-(1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines (L1–L3), which was reported by other researchers, has been modified by us essentially (e.g., the synthesis of 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (3) via 5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine (2); the synthesis of 1-methoxymethyl-2,3-diaminobenzene (5) by avoiding the use of unstable 2,3-diaminobenzyl alcohol; and the activation of 1H-pyrazolo[3,4-b]pyridine-3-carboxylic acids (1, 3) through the use of an inexpensive coupling reagent, N,N′-carbonyldiimidazole (CDI)). Stabilization of the 7b tautomer of methoxymethyl-substituted L3 by coordination to a metal(II) center, as well as the NMR spectroscopic characterization of two tautomers 7b-L3 and 4b′-L3 in a metal-free state are described. Structure–activity relationships with regard to cytotoxicity and cell cycle effects in human cancer cells, as well as Cdk inhibitory activity, are also reported. PMID:22032295

  10. Phase response curve to 1 h light pulses for the European rabbit (Oryctolagus cuniculus).

    PubMed

    Kennedy, Gerard A; Hudson, Robyn

    2016-01-01

    While much is known about the circadian systems of rodents, chronobiological studies of other mammalian groups have been limited. One of the most extensively studied nonrodent species, both in the laboratory and in the wild, is the European rabbit. The aim of this study was to extend knowledge of the rabbit circadian system by examining its phasic response to light. Twelve Dutch-Himalayan cross rabbits of both sexes were allowed to free-run in constant darkness and then administered 1 h light pulses (1000 lux) at multiple predetermined circadian times. Changes in the phase of the rabbits' circadian wheel-running rhythms were measured after each light pulse and used to construct a phase-response curve (PRC). The rabbits' PRC and free-running period (τ) conformed to the empirical regularities reported for other predominantly nocturnal animals, including rodents and predatory marsupials. The results of the study are thus consistent with reports that the rabbit is essentially a nocturnal animal and show that it can entrain to light/dark (LD) cycles via discrete phase shifts. Knowledge about the rabbit's circadian range of entrainment to LD cycles gained in this study will be useful for examining the putative circadian processes believed to underlie the unusual rhythm of very brief, once-daily nest visits by nursing rabbit mothers and other nursing lagomorphs. PMID:27305519

  11. Visual stimulation, 1H MR spectroscopy and fMRI of the human visual pathways.

    PubMed

    Boucard, Christine C; Mostert, Jop P; Cornelissen, Frans W; De Keyser, Jacques; Oudkerk, Matthijs; Sijens, Paul E

    2005-01-01

    The purpose was to assess changes in lactate content and other brain metabolites under visual stimulation in optical chiasm, optic radiations and occipital cortex using multiple voxel MR spectroscopy (MRS). 1H chemical shift imaging (CSI) examinations of transverse planes centered to include the above structures were performed in four subjects at an echo time of 135 ms. Functional MRI (fMRI) was used to confirm the presence of activity in the visual cortex during the visual stimulation. Spectral maps of optical chiasm were of poor quality due to field disturbances caused by nearby large blood vessels and/or eye movements. The optic radiations and the occipital lobe did not show any significant MR spectral change upon visual stimulation, i.e., the peak areas of inositol, choline, creatine, glutamate and N-acetylaspartate were not affected. Reproducible lactate signals were not observed. fMRI confirmed the presence of strong activations in stimulated visual cortex. Prolonged visual stimulation did not cause significant changes in MR spectra. Any signal observed near the 1.33 ppm resonance frequency of the lactate methyl-group was artifactual, originating from lipid signals from outside the volume of interest (VOI). Previous claims about changes in lactate levels in the visual cortex upon visual stimulation may have been based on such erroneous observations. PMID:15480690

  12. Electron-phonon induced complex quasiparticles in the 1x1 H/W(110) surface.

    NASA Astrophysics Data System (ADS)

    Eiguren, Asier; Ambrosch-Draxl, Claudia

    2008-03-01

    We show that the solution of the complex Dyson equation for the electron-phonon problem induces several quasiparticle states for a given wave vector. The Dyson equation is considered in the full complex plane and it is solved without considering the imaginary part of the self-energy as an small parameter. By a first principle application of the formalism to the 1x1 H covered W(110) surface, we show that some aspects of the surface band splitting [Rotenberg et. al., Phys. Rev. Lett. 84, 2925 (2000)] can be traced back to electron-phonon coupling, where we present the energy and lifetimes of each quasiparticle. Despite this breakdown of the single quasi-particle picture, it is remarkable that the spectral functions are very well Represented by the predicted multiple quasi-particles. From these results, we can deduce that some of the features that previously where prescribed in ARPES spectra as incoherent structure could eventually be re-interpreted as contributions from additional quasi-particle states. Our method could also help to understand similar phenomena observed in high Tc cuprates and various other surfaces.

  13. 1H NMR Metabolic Profiling of Biofluids from Rats with Gastric Mucosal Lesion and Electroacupuncture Treatment

    PubMed Central

    Xu, Jingjing; Cheng, Kian-Kai; Yang, Zongbao; Wang, Chao; Shen, Guiping; Wang, Yadong; Liu, Qiong; Dong, Jiyang

    2015-01-01

    Gastric mucosal lesion (GML) is a common gastrointestinal disorder with multiple pathogenic mechanisms in clinical practice. In traditional Chinese medicine (TCM), electroacupuncture (EA) treatment has been proven as an effective therapy for GML, although the underlying healing mechanism is not yet clear. Here, we used proton nuclear magnetic resonance- (1H NMR-) based metabolomic method to investigate the metabolic perturbation induced by GML and the therapeutic effect of EA treatment on stomach meridian (SM) acupoints. Clear metabolic differences were observed between GML and control groups, and related metabolic pathways were discussed by means of online metabolic network analysis toolbox. By comparing the endogenous metabolites from GML and GML-SM groups, the disturbed pathways were partly recovered towards healthy state via EA treated on SM acupoints. Further comparison of the metabolic variations induced by EA stimulated on SM and the control gallbladder meridian (GM) acupoints showed a quite similar metabolite composition except for increased phenylacetylglycine, 3,4-dihydroxymandelate, and meta-hydroxyphenylacetate and decreased N-methylnicotinamide in urine from rats with EA treated on SM acupoints. The current study showed the potential application of metabolomics in providing further insight into the molecular mechanism of acupuncture. PMID:26170882

  14. Survey and qualification of internal standards for quantification by 1H NMR spectroscopy.

    PubMed

    Rundlöf, Torgny; Mathiasson, Marie; Bekiroglu, Somer; Hakkarainen, Birgit; Bowden, Tim; Arvidsson, Torbjörn

    2010-09-01

    In quantitative NMR (qNMR) selection of an appropriate internal standard proves to be crucial. In this study, 25 candidate compounds considered to be potent internal standards were investigated with respect to the ability of providing unique signal chemical shifts, purity, solubility, and ease of use. The (1)H chemical shift (delta) values, assignments, multiplicities and number of protons (for each signal), appropriateness (as to be used as internal standards) in four different deuterated solvents (D(2)O, DMSO-d(6), CD(3)OD, CDCl(3)) were studied. Taking into account the properties of these 25 internal standards, the most versatile eight compounds (2,4,6-triiodophenol, 1,3,5-trichloro-2-nitrobenzene, 3,4,5-trichloropyridine, dimethyl terephthalate, 1,4-dinitrobenzene, 2,3,5-triiodobenzoic acid, maleic acid and fumaric acid) were qualified using both differential scanning calorimetry (DSC) and NMR spectroscopy employing highly pure acetanilide as the reference standard. The data from these two methods were compared as well as utilized in the quality assessment of the compounds as internal standards. Finally, the selected internal standards were tested and evaluated in a real case of quantitative NMR analysis of a paracetamol pharmaceutical product. PMID:20207092

  15. (1)H NMR based metabolomic profiling revealed doxorubicin-induced systematic alterations in a rat model.

    PubMed

    Niu, Qian-Yun; Li, Zhen-Yu; Du, Guan-Hua; Qin, Xue-Mei

    2016-01-25

    Doxorubicin (DOX) is used as a chemotherapy drug with severe carditoxicity. In this study, an integrated echocardiography along with pathological examination and (1)H NMR analysis of multiple biological matrices (urine, serum, heart, and kidney) was employed to systemically assess the toxicity of DOX. Echocardiographic results showed that impaired left ventricular contractility and degenerative pathology lesions in DOX group, which were in consistent with pathology. The endogenous metabolites in the urine, serum, heart and kidney was identified by comparison with the data from the literature and databases. Multivariate analysis, including PCA and OPLS, revealed 8 metabolites in urine, including succinate, 2-ketoglutarate, citrate, hippurate, methylamine, benzoate, allantion, and acetate were the potential changed biomarkers. In serum, perturbed metabolites include elevation of leucine, β-glucose, O-acetyl-glycoprotein, creatine, lysine, glycerin, dimethylglycine, trimethylamine-N-oxide, myo-inositol, and N-acetyl-glycoprotein, together with level decreases of acetone, lipid, lactate, glutamate, phosphocholine, acetoacetate and pyruvate. For heart, DOX exposure caused decline of lipid, lactate, leucine, alanine, glutamate, choline, xanthine, glycerin, carnitine, and fumarate, together with elevation of glutamine, creatine, inosine, taurine and malate. Metabolic changes of kidney were mainly involved in the accumulation of α-glucose, lactate, phosphocholine, betaine, threonine, choline, taurine, glycine, urea, hypoxanthine, glutamate, and nicotinamide, coupled with reduction of asparagine, valine, methionine, tyrosine, lysine, alanine, leucine, ornithine, creatine, lipid, and acetate. In addition, alterations of urinary metabolites exhibited a time-dependent manner. Complementary evidences by multiple matrices revealed disturbed pathways concerning energy metabolism, fatty acids oxidation, amino acids and purine metabolism, choline metabolism, and gut microbiota

  16. Sharp green electroluminescence from 1H-pyrazolo[3,4-b]quinoline-based light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Tao, Y. T.; Balasubramaniam, E.; Danel, A.; Jarosz, B.; Tomasik, P.

    2000-09-01

    A multilayer organic light-emitting diode was fabricated using a fluorescent compound {6-N,N-diethylamino-1-methyl-3-phenyl-1H-pyrazolo[3,4-b]quinoline} (PAQ-NEt2) doped into the hole-transporting layer of NPB {4,4'-bis[N-(1-naphthyl-1-)-N-phenyl-amino]-biphenyl}, with the TPBI {2,2',2″-(1,3,5-phenylene)tris[1-phenyl-1H-benzimidazole]} as an electrontransporting material. At 16% PAQ-NEt2 doping concentration, the device gave a sharp, bright, and efficient green electroluminescence (EL) peaked at around 530 nm. The full width at half maximum of the EL is 60 nm, which is 60% of the green emission from typical NPB/AlQ [where AlQ=tris(8-hydroxyquinoline) aluminum] device. For the same concentration, a maximum luminance of 37 000 cd/m2 was obtained at 10.0 V and the maximum power, luminescence, and external quantum efficiencies were obtained 4.2 lm/W, 6.0 cd/A, and 1.6%, respectively, at 5.0 V.

  17. 1hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling?

    PubMed

    Cormanich, Rodrigo A; Moreira, Marilua A; Freitas, Matheus P; Ramalho, Teodorico C; Anconi, Cléber P A; Rittner, Roberto; Contreras, Rubén H; Tormena, Cláudio F

    2011-12-01

    The present study shows that a hydrogen bond between the OH group and the fluorine atom is not involved in the (1h)J(FH) spin-spin coupling transmission either for 4-bromo-2-fluorophenol or 2-fluorophenol. In fact, according to a quantum theory of atoms in molecules analysis, no bond critical point is found between O-H and F moieties. The nature of the transmission mechanism of the Fermi contact term of the (1h)J(FH) spin-spin coupling is studied by analyzing canonical molecular orbitals (see J. Phys. Chem. A 2010, 114, 1044), and it is observed that virtual orbitals play only a quite minor role in its transmission. This is typical of a Fermi contact term transmitted mainly through exchange interactions owing to the overlap of proximate electronic clouds; therefore, it is suggested to identify them as (nTS)J(FH) coupling where n stands for the number of formal bonds separating the coupling nuclei. In the cases studied in this work is n = 4. Results presented in this work could provide an interesting rationalization for different experimental signs known in the current literature for proximate J(FH) couplings.

  18. Effect of 1,10-phenanthroline aromaticity in carboxylic acids:1H NMR spectroscopy, GIAO calculations and thermodynamic properties

    NASA Astrophysics Data System (ADS)

    Machado, Camila M. B.; Santos, Vanessa F. C.; Belarmino, Marcia K. D. L.; França, José A. A.; Moura, Gustavo L. C.; Lima, Nathalia B. D.

    2016-08-01

    Hydrogen bonding represents a class of chemical interactions, which are directly responsible for several physical properties, such as: energetic stabilities, boiling points, vibrational modes, bond lengths, etc. In this article, we examine from the point of view of 1H NMR spectroscopy and GIAO calculations, the effects associated with the process of formation of the hydrogen bonds as they appear in the chemical shifts of the acidic hydrogens in the complexes between nitrogenated compounds, PHEN, BIPY and DIBIPY, and carboxylic acids, HOOCH, HOOCCH3 and HOOCC6H5. All computational simulations were performed using the quantum chemical methods B3LYP/6-31++G(d,p) and ωB97X-D/def2-TZVP. The 1H NMR spectroscopy results showed that, in both cases, the hydrogen nucleus of the OH group is the most affected in the process of hydrogen bond formation. For the complexes involving PHEN we observed that the hydrogen nucleus is more strongly shielded when compared with this signal in the corresponding complexes involving BIPY and DIBIPY.

  19. Conductance decay of a surface hydrogen tunneling junction fabricated along a Si(001)- (2×1) -H atomic wire

    NASA Astrophysics Data System (ADS)

    Kawai, Hiroyo; Yeo, Yong Kiat; Saeys, Mark; Joachim, Christian

    2010-05-01

    On a Si(001)- (2×1) -H substrate, electrons tunneling through hydrogen atomic junctions fabricated between two surface dangling-bond (DB) wires are theoretically investigated using the elastic-scattering quantum-chemistry method. The surface states introduced in the Si band gap by removing H atoms from a Si(001)- (2×1) -H surface were calculated and also analyzed using a simple tight-binding model. The two-channel surface conductance of a DB wire results from a combination of through-space and through-lattice electronic couplings between DB states. The conductance of the DB wire-H-junction-DB wire structure decreases exponentially with the length of H junction with an inverse decay rate ranging from 0.20 to 0.23Å-1 , depending on the energy. When the DB wire-H-junction-DB wire structure is contacted by Au nanoelectrodes, the transmission resonances corresponding to the DB wire states split, demonstrating a coupling of the DB wires through short surface hydrogen atomic junctions. This splitting decreases with the length of H junction between the DB wires with an inverse decay length ranging from 0.22 to 0.44Å-1 , indicating that such an atomic scale surface tunneling junction is not a very good insulator.

  20. Multi-user quantum cryptography

    NASA Astrophysics Data System (ADS)

    Wang, Bing C.; Kumavor, Patrick; Yelin, Susanne F.; Beal, Alan C.

    2005-10-01

    Quantum cryptography applies the uncertainty principle and the no-cloning theorem of quantum mechanics to provide ultra-secure encryption key distribution between two parties. Present quantum cryptography technologies provide encryption key distribution between two parties. However, practical implementations encryption key distribution schemes require establishing secure quantum communications amongst multiple users. In this talk, we survey some of the state of the art quantum encryption deployment in communication networks. We will also discuss some common topologies that are being considered for multi-user quantum encryption networks. The performance of the multi-user quantum key distribution systems is then compared for four different optical network topologies: the Sagnac-based fiber ring, the wavelength routed, the passive star and the bus network. Their performances are compared and analyzed using quantum bit error rate analysis.