WorldWideScience

Sample records for conversion electron spectroscopy

  1. In-trap conversion electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weissman, L. E-mail: weissman@nscl.msu.edu; Ames, F.; Aeysto, J.; Forstner, O.; Reisinger, K.; Rinta-Antila, S

    2002-10-21

    The Penning trap REXTRAP at ISOLDE was used to test the feasibility of in-trap conversion electron spectroscopy. The results of simulations, experiments with solid conversion electron sources as well as first on-line tests with trapped radioactive ions are presented. In addition to obtaining high-resolution spectroscopic data, the detection of conversion electrons was found to be a useful tool for the diagnostics of the trap operation. The tests proved the feasibility of in-trap spectroscopy but also revealed some potential problems to be addressed in the future.

  2. In-trap conversion electron spectroscopy

    CERN Document Server

    Weissman, L; Äystö, J; Forstner, O; Reisinger, K; Rinta-Antila, S

    2002-01-01

    The Penning trap REXTRAP at ISOLDE was used to test the feasibility of in-trap conversion electron spectroscopy. The results of simulations, experiments with solid conversion electron sources as well as first on-line and tests with trapped radioactive ions are presented. In addition to obtaining high-resolution spectroscopic data, the detection of conversion electrons was found to be a useful tool for the diagnostics of the trap operation. The tests proved the feasibility of in-trap spectroscopy but also revealed some potential problems to be addressed in the future.

  3. On the merits of conversion electron Mossbauer spectroscopy in geosciences

    DEFF Research Database (Denmark)

    Gunnlaugsson, H.P.; Bertelsen, P.; Budtz-Jørgensen, Carl;

    2006-01-01

    Described are some applications of conversion electron Mossbauer spectroscopy (CEMS) in geosciences. It is shown how easily this technique can be applied in existing Mossbauer laboratories to investigate natural samples. Some examples demonstrate the kind of information CEMS can give...... on the weathering history or mechanical properties of samples. The possible application of CEMS on Mars is discussed....

  4. Conversion electron spectroscopy of isobarically purified trapped radioactive ions

    Energy Technology Data Exchange (ETDEWEB)

    Rissanen, J.; Elomaa, V.V.; Eronen, T.; Hakala, J.; Jokinen, A.; Rahaman, S.; Rinta-Antila, S.; Aeystoe, J. [University of Jyvaeskylae, Department of Physics, P.O.B. 35 (Finland)

    2007-11-15

    The feasibility of the JYFLTRAP for in-trap spectroscopy has been studied. Several internally converted transitions have been measured for isomers of fission products with good accuracy. High-resolution spectroscopic data free of source effects have been obtained proving that trapped radioactive ions can provide excellent conversion electron sources. The shortest-lived isomer studied in this work was {sup 117m} Pd with a half-life of 19.1 ms, for which a superior peak-to-total ratio and an excellent line shape at the 9.9 keV conversion electron line have been observed. Detection efficiencies and related phenomena of the present setup are analyzed. (orig.)

  5. Alpha and conversion electron spectroscopy of 238,239Pu and 241Am and alpha-conversion electron coincidence measurements

    Energy Technology Data Exchange (ETDEWEB)

    Dion, Michael P.; Miller, Brian W.; Warren, Glen A.

    2016-09-01

    A technique to determine the isotopics of a mixed actinide sample has been proposed by measuring the coincidence of the alpha particle during radioactive decay with the conversion electron (or Auger) emitted during the relaxation of the daughter isotope. This presents a unique signature to allow the deconvolution of isotopes that possess overlapping alpha particle energy. The work presented here are results of conversion electron spectroscopy of 241Am, 238Pu and 239Pu using a dual-stage peltier-cooled 25 mm2 silicon drift detector. A passivated ion implanted planar silicon detector provided measurements of alpha spectroscopy. The conversion electron spectra were evaluated from 20–55 keV based on fits to the dominant conversion electron emissions, which allowed the relative conversion electron emission intensities to be determined. These measurements provide crucial singles spectral information to aid in the coincident measurement approach.

  6. Feasibility of In-Trap Conversion Electron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weissman, L.; Ames, F.; Aysto, J.; Forstner, O. [CERN, EP-Division (Switzerland); Rinta-Antila, S. [University of Jyvaeskyla, Department of Physics (Finland); Schmidt, P. [J. Gutenberg-Universitaet Mainz, Institut fuer Physik (Germany)

    2001-01-15

    We have used REXTRAP at ISOLDE to test the feasibility of in-trap electron spectroscopy. The results of calculations, experiments with various electron sources as well as a first test with trapped radioactive ions are presented.

  7. Alpha and conversion electron spectroscopy of 238,239Pu and 241Am and alpha-conversion electron coincidence measurements

    Science.gov (United States)

    Dion, Michael P.; Miller, Brian W.; Warren, Glen A.

    2016-09-01

    A technique to determine the isotopic constituents of a mixed actinide sample has been proposed by a coincident alpha-conversion electron measurement. This presents a unique signature to allow the unfolding of isotopes that possess overlapping alpha particle energy and reduce backgrounds of an unseparated sample. The work presented here are results of conversion electron spectroscopy of 241Am, 238Pu and 239Pu using a dual-stage peltier-cooled 25 mm2 silicon drift detector and alpha spectroscopy with a passivated ion implanted planar silicon detector. The conversion electron spectra were evaluated from 20-55 keV based on fits to the dominant conversion electron emissions, which allowed the relative conversion electron emission intensities to be determined. These measurements provide crucial singles spectral information and calibration to aid in the coincident measurement approach. Furthermore, an alpha-conversion electron spectrometer was assembled using the silicon based detectors described and results of a coincident spectrum analysis is reported for 241Am.

  8. High-Resolution Conversion Electron Spectroscopy of Valence Electron Configurations (CESVEC) in Solids

    CERN Multimedia

    2002-01-01

    First measurements with the Zurich $\\beta$-spectrometer on sources from ISOLDE have demonstrated that high resolution spectroscopy of conversion electrons from valence shells is feasible.\\\\ \\\\ This makes possible a novel type of electron spectroscopy (CESVEC) on valence-electron configurations of tracer elements in solids. Thus the density of occupied electron states of impurities in solids has been measured for the first time. Such data constitute a stringent test of state-of-the-art calculations of impurity properties. Based on these results, we are conducting a systematic investigation of impurities in group IV and III-V semiconductors.

  9. Coupling Nuclear Induced Phonon Propagation with Conversion Electron Moessbauer Spectroscopy

    Science.gov (United States)

    2015-06-18

    by analogy, the nucleus) recoils with a recoil energy ER when firing a bullet (the γ-ray). A more in-depth discussion of the recoil energy loss can...Number of Mössbauer Peaks 1 The next consideration was the geometry of the absorber. The absorber not only had to fit in the CEMS detector opening ...Methodology, vol. 7. Plenum Press, New York. (1971) 24. Spikerman, J.J. Mossbauer Spectroscopy Instruction Manual for the MS-1200. Ranger Scientific

  10. Alpha and conversion electron spectroscopy of {sup 238,239}Pu and {sup 241}Am and alpha-conversion electron coincidence measurements

    Energy Technology Data Exchange (ETDEWEB)

    Dion, Michael P., E-mail: michael.dion@pnnl.gov; Miller, Brian W.; Warren, Glen A.

    2016-09-11

    A technique to determine the isotopic constituents of a mixed actinide sample has been proposed by a coincident alpha-conversion electron measurement. This presents a unique signature to allow the unfolding of isotopes that possess overlapping alpha particle energy and reduce backgrounds of an unseparated sample. The work presented here are results of conversion electron spectroscopy of {sup 241}Am, {sup 238}Pu and {sup 239}Pu using a dual-stage peltier-cooled 25 mm{sup 2} silicon drift detector and alpha spectroscopy with a passivated ion implanted planar silicon detector. The conversion electron spectra were evaluated from 20–55 keV based on fits to the dominant conversion electron emissions, which allowed the relative conversion electron emission intensities to be determined. These measurements provide crucial singles spectral information and calibration to aid in the coincident measurement approach. Furthermore, an alpha-conversion electron spectrometer was assembled using the silicon based detectors described and results of a coincident spectrum analysis is reported for {sup 241}Am.

  11. Combined in-beam gamma-ray and conversion electron spectroscopy with radioactive ion beams

    Directory of Open Access Journals (Sweden)

    Konki J.

    2013-12-01

    Full Text Available In-beam gamma-ray and electron spectroscopy have been widely used as tools to study the broad variety of phenomena in nuclear structure. The SPEDE spectrometer is a new device to be used in conjunction with the MINIBALL germanium detector array to enable the detection of internal conversion electrons in coincidence with gamma rays from de-exciting nuclei in radioactive ion beam experiments at the upcoming HIE-ISOLDE facility at CERN, Switzerland. Geant4 simulations were carried out in order to optimise the design and segmentation of the silicon detector to achieve good energy resolution and performance.

  12. Angular dependence, blackness and polarization effects in integral conversion electron Mössbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sajti, Sz., E-mail: sajti.szilard@wigner.mta.hu; Tanczikó, F.; Deák, L.; Nagy, D.L.; Bottyán, L.

    2015-01-01

    General expressions of the electron yield in {sup 57}Fe integral conversion electron Mössbauer spectroscopy were derived depending on the glancing angle of the γ photons, on the source polarization and on the isotopic abundance of the source and the absorber (blackness effects) using an exponential escape function of the electrons originating from all Mössbauer-resonance-related processes. The present approach provides a firm theoretical basis to determine the alignment and direction of magnetization in the absorber. The intensity formulae were justified by least squares fits of α-{sup 57}Fe spectral intensities measured in linearly and elliptically polarized source and absorber geometries. The fits reproduce the experimentally set angles with high accuracy. Limits of the current approach and its relation to other, less complete treatments in the literature are discussed.

  13. The Internal Conversion Electron and Gamma Spectroscopy in the 14N + 197Au Reaction Measurements

    Science.gov (United States)

    KrXf3l, A.; Andrzejewski, J.; Perkowski, J.; Sobczak, K.; Kisielinski, M.; Kowalczyk, M.; Kownacki, J.; Korman, A.

    2008-02-01

    The first ``in-beam'' spectra of the internal conversion electrons were collected in the 197Au(14N,5n)206Rn fusion evaporation reaction by new constructed electron spectrometer. The measurements were carried out in electron-gamma and gamma-gamma coincidence mode with use of electron spectrometer coupled to OSIRIS II gamma array at Heavy Ion Laboratory (HIL) of the Warsaw University. The analysis of the data for gamma -gamma coincidence measurement disclosed new transitions in 206Rn excited nucleus. Experimentally obtained internal conversion coefficient allowed to determine multipolarity of the new observed transition in 206Rn nucleus.

  14. Electronic spectroscopies

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Schoonheydt, R.A.

    2000-01-01

    Diffuse reflectance spectroscopy (DRS) in the ultraviolet, visible and near-infrared region is a versatile spectroscopic technique, as both d-d and charge transfer transitions of supported TMI can be probed. One of the advantages of electronic spectroscopy is that the obtained information is

  15. Electron Spectroscopy

    Science.gov (United States)

    Siegbahn, Kai

    Wilhelm Conrad Röntgen's discovery of X radiation in 1895 in Wörzburg resulted in an immediate break-through not only in physics but also in Society, the latter mainly because of its sensational radiological applications. Within a short time it furthermore indirectly led to the discovery of radioactivity by Henri Becquerel. The discovery of X radiation opened the gate to modern atomic physics, and radioactivity to nuclear physics. Later on, the discovery of X-ray diffraction by Laue, Friedrich and Knipping in 1912 initiated the field of X-ray spectroscopy with its fundamental contributions to atomic and crystal structures. Secondary electrons were early observed in the scattered radiation when X-rays were hitting a sample. The development of the corresponding electron spectroscopy had to wait a much longer time for its maturity. A survey of electron spectroscopy is presented.

  16. Electronic and vibrational spectroscopy of intermediates in methane-to-methanol conversion by CoO+

    Science.gov (United States)

    Altinay, Gokhan; Kocak, Abdulkadir; Silva Daluz, Jennifer; Metz, Ricardo B.

    2011-08-01

    At room temperature, cobalt oxide cations directly convert methane to methanol with high selectivity but very low efficiency. Two potential intermediates of this reaction, the [HO-Co-CH3]+ insertion intermediate and [H2O-Co=CH2]+ aquo-carbene complex are produced in a laser ablation source and characterized by electronic and vibrational spectroscopy. Reaction of laser-ablated cobalt cations with different organic precursors seeded in a carrier gas produces the intermediates, which subsequently expand into vacuum and cool. Ions are extracted into a time-of-flight mass spectrometer and spectra are measured via photofragment spectroscopy. Photodissociation of [HO-Co-CH3]+ in the visible and via infrared multiple photon dissociation (IRMPD) makes only Co+ + CH3OH, while photodissociation of [H2O-Co=CH2]+ produces CoCH2+ + H2O. The electronic spectrum of [HO-Co-CH3]+ shows progressions in the excited state Co-C stretch (335 cm-1) and O-Co-C bend (90 cm-1); the IRMPD spectrum gives νOH = 3630 cm-1. The [HO-Co-CH3]+(Ar) complex has been synthesized and its vibrational spectrum measured in the O-H stretching region. The resulting spectrum is sharper than that obtained via IRMPD and gives νOH = 3642 cm-1. Also, an improved potential energy surface for the reaction of CoO+ with methane has been developed using single point energies calculated by the CBS-QB3 method for reactants, intermediates, transition states and products.

  17. MOSSBAUER-SPECTROSCOPY OF YB-170 THROUGH INTERNAL-CONVERSION OF ELECTRONS

    NARCIS (Netherlands)

    SAWICKI, JA; NIESEN, L

    1993-01-01

    This paper describes the first observation of the Mossbauer scattering for the 84.3 keV gamma-ray transition in ytterbium Yb-170, made by detecting the low-energy electrons emitted after resonant absorption of gamma-rays. The measurements were performed in sideways scattering geometry using a 50 mCi

  18. Fe-contacts on InAs(100) and InP(100) characterised by conversion electron Mössbauer spectroscopy

    DEFF Research Database (Denmark)

    Damsgaard, Christian Danvad; Gunnlaugsson, H.P; Weyer, G.;

    2005-01-01

    We have grown 4 nm thin films of Fe-57 on InAs(100) and InP(100) surfaces by use of MBE and studied the samples by Fe-57 conversion electron Mossbauer spectroscopy. In the case of InAs, the Mossbauer spectrum showed a sextet due to alpha-Fe and a further magnetically split component with slightly...

  19. Conversion electron spectroscopy at the FMA focal plane: Decay studies of proton-rich N {approximately} 82 nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nisius, D.; Janssens, R.V.F.; Ahmad, I. [and others

    1995-08-01

    The FMA has proven to be an ideal instrument for the detailed study of the decay of microsecond isomers behind the focal plane following mass selection. In reactions leading to the population of nuclei with isomeric lifetimes longer than their flight time through the device, decay gamma rays and conversion electrons can be detected in an environment free from the backgrounds of prompt radiation and delta electrons. This was a very successful technique to study proton (h{sub 11/2}){sup n} seniority isomers in nuclei with Z > 64 and N {approximately} 82. Since isomeric decay gamma rays are emitted isotropically, conversion electrons are essential for the assignment of multipolarities in these nuclei. Furthermore, the low-energy transitions that depopulate isomeric states are typically highly converted and can escape gamma-ray detection, but they can be identified by their conversion electrons.

  20. Conversion electron surface imaging

    CERN Document Server

    Irwin, G M; Wehner, A

    1999-01-01

    A method of imaging the Moessbauer absorption over the surface of a sample based on counting conversion electrons emitted from the surface following resonant absorption of gamma radiation is described. This Conversion Electron Surface Imaging (CESI) method is somewhat analogous to Magnetic Resonance Imaging (MRI), particularly chemical shift imaging, and similar tomographic reconstruction techniques are involved in extracting the image. The theory behind the technique and a prototype device is described, as well as the results of proof-of-principle experiments which demonstrate the function of the device. Eventually this same prototype device will be part of a system to determine the spatial variation of the Moessbauer spectrum over the surface of a sample. Applications include imaging of variations of surface properties of steels and other iron containing alloys, as well as other surfaces over which sup 5 sup 7 Fe has been deposited.

  1. Electronic Spectroscopy & Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Mark Maroncelli, Nancy Ryan Gray

    2010-06-08

    The Gordon Research Conference (GRC) on Electronic Spectroscopy and Dynamics was held at Colby College, Waterville, NH from 07/19/2009 thru 07/24/2009. The Conference was well-attended with participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The GRC on Electronic Spectroscopy & Dynamics showcases some of the most recent experimental and theoretical developments in electronic spectroscopy that probes the structure and dynamics of isolated molecules, molecules embedded in clusters and condensed phases, and bulk materials. Electronic spectroscopy is an important tool in many fields of research, and this GRC brings together experts having diverse backgrounds in physics, chemistry, biophysics, and materials science, making the meeting an excellent opportunity for the interdisciplinary exchange of ideas and techniques. Topics covered in this GRC include high-resolution spectroscopy, biological molecules in the gas phase, electronic structure theory for excited states, multi-chromophore and single-molecule spectroscopies, and excited state dynamics in chemical and biological systems.

  2. Ultrafast spectroscopy studies on the mechanism of electron transfer and energy conversion in the isolated pseudo ginseng, water hyacinth and spinach chloroplasts

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The spectroscopy characteristics and the fluorescence lifetime for the chloroplasts isolated from the pseudo ginseng, water hyacinth and spinach plant leaves have been studied by absorption spectra, low temperature steady-state fluorescence spectroscopy and single photon counting measurement under the same conditions and by the same methods. The similarity of the absorption spectra for the chloroplasts at room temperature suggests that different plants can efficiently absorb light of the same wavelength. The fluorescence decays in PS II measured at the natural QA state for the chloroplasts have been fitted by a three-exponential kinetic model. The three fluorescence lifetimes are 30, 274 and 805 ps for the pseudo ginseng chloroplast; 138, 521 and 1494 ps for the water hyacinth chloroplast; 197, 465 and 1459 ps for the spinach chloroplast, respectively. The slow lifetime fluorescence component is assigned to a collection of associated light harvesting Chl a/b proteins, the fast lifetime component to the reaction center of PS II and the middle lifetime component to the delay fluorescence of recombination of and Pheo-. The excitation energy conversion efficiency (η) in PS II RC is defined and calculated on the basis of the 20 ps electron transfer time constant model, 60%, 87% and 91% for the pseudo ginseng, water hyacinth and spinach chloroplasts, respectively. This interesting result is in unconformity with what is assumed to be 100% efficiency in PS II RC. Our result in this work stands in line with the 20 ps electron transfer time constant in PS II rather sound and the water hyacinth plant grows slower than the spinach plant does as envisaged on the efficiency. But, our results predict that those plants can perform highly efficient transfer of photo-excitation energy from the light-harvesting pigment system to the reaction center (closely to 100%). The conclusion contained in this paper reveals the plant growth characteristics expressed in the primary processes of

  3. Remarkably High Conversion Efficiency of Inverted Bulk Heterojunction Solar Cells: From Ultrafast Laser Spectroscopy and Electron Microscopy to Device Fabrication and Optimization

    KAUST Repository

    Alsulami, Qana

    2016-04-10

    In organic donor-acceptor systems, ultrafast interfacial charge transfer (CT), charge separation (CS), and charge recombination (CR) are key determinants of the overall performance of photovoltaic devices. However, a profound understanding of these photophysical processes at device interfaces remains superficial, creating a major bottleneck that circumvents advancements and the optimization of these solar cells. Here, results from time-resolved laser spectroscopy and high-resolution electron microscopy are examined to provide the fundamental information necessary to fabricate and optimize organic solar cell devices. In real time, CT and CS are monitored at the interface between three fullerene acceptors (FAs) (PC71BM, PC61BM, and IC60BA) and the PTB7-Th donor polymer. Femtosecond transient absorption (fs-TA) data demonstrates that photoinduced electron transfer from the PTB7-Th polymer to each FA occurs on the sub-picosecond time scale, leading to the formation of long-lived radical ions. It is also found that the power conversion efficiency improves from 2% in IC60BA-based solar cells to >9% in PC71BM-based devices, in support of our time-resolved results. The insights reported in this manuscript provide a clear understanding of the key variables involved at the device interface, paving the way for the exploitation of efficient CS and subsequently improving the photoconversion efficiency. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Conversion electron Mössbauer spectroscopy studies of the magnetic moment distribution in Fe/V multilayers

    Science.gov (United States)

    Kalska, B.; Häggström, L.; Blomquist, P.; Wäppling, R.

    2000-02-01

    The Fe hyperfine field distribution in Fe(x ML)V(y ML) as function of x and y has been determined. The samples were prepared in a ultra-high vacuum sputtering system with 57 Fe as a probe. Low- and high-angle x-ray diffraction and Mössbauer spectroscopy were used to determine the monolayer structure of the samples. The multilayer growth is not layer-by-layer, as found from the magnetic hyperfine field distributions. No Fe magnetic ordering is found above 133 K for multilayers with xicons/Journals/Common/approx" ALT="approx" ALIGN="TOP"/> 3 and yicons/Journals/Common/approx" ALT="approx" ALIGN="TOP"/> 14 in contrast to recently reported antiferromagnetic ordering. The average Fe magnetic moments as deduced from the average magnetic hyperfine fields changes in the sequence 1.2, 1.5, 1.7 to 2.0 µB layerwise in going towards the centre of a 10 ML film of Fe.

  5. Structure and 57Fe conversion electron M(o)ssbauer spectroscopy study of Mn-Zn ferrite nanocrystal thin films by electroless plating in aqueous solution

    Institute of Scientific and Technical Information of China (English)

    SUN JianRong; WANG XueWen; LIU JinHong; WANG JianBo; LI FaShen

    2008-01-01

    Mn1-xZnxFe2O4 thin films with various Zn contents and of different thickness were synthesized on glass substrates directly by electroless plating in aqueous solution at 90℃ without heat treatment. The Mn-Zn ferrite films have a single spinel phase structure and well-crystallized columnar grains growing per-pendicularly to the substrates. The results of conversion electron 57Fe Mossbauer spectroscopy (CEMS) indicate that the cation distribution of Mn-xZnxFe2O4 ferrite nanocrystal thin films fabricated by elec-troless plating is different from the bulk materials' and a great quantity of Fe3+ ions are still present on A sites for x>0.5. When the Zn content of the films increases, Fe3+ ions in the films transfer from A sites to B sites and the hyperfine magnetic field reduces, suggesting that Zn2+ has strong chemical affinity towards the A sites. On the other side, with the increase of the thickness of the films, Fe3+ ions, at B sites in the spinel structure, increase and the array of magnetic moments no longer lies in the thin film plane completely. At x=0.5, Hc and Ms of Mn1-xZnxFe2O4 thin films show a minimum of 3.7 kA/m and a maximum of 419.6 kA/m, respectively.

  6. Iron silicide formation at different layers of (Fe/Si){sub 3} multilayered structures determined by conversion electron Mössbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Badía-Romano, L., E-mail: lbadia@unizar.es; Bartolomé, J. [Departamento de Física de la Materia Condensada, Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, E-50009 Zaragoza (Spain); Rubín, J. [Departamento de Ciencia y Tecnología de Materiales y Fluidos, Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, E-50018 Zaragoza (Spain); Magén, C. [Laboratorio de Microscopías Avanzadas (LMA), Instituto de Nanociencia de Aragón (INA), Universidad de Zaragoza, E-50018 Zaragoza (Spain); Bürgler, D. E. [Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany)

    2014-07-14

    The morphology and the quantitative composition of the Fe-Si interface layer forming at each Fe layer of a (Fe/Si){sub 3} multilayer have been determined by means of conversion electron Mössbauer spectroscopy (CEMS) and high-resolution transmission electron microscopy (HRTEM). For the CEMS measurements, each layer was selected by depositing the Mössbauer active {sup 57}Fe isotope with 95% enrichment. Samples with Fe layers of nominal thickness d{sub Fe} = 2.6 nm and Si spacers of d{sub Si} = 1.5 nm were prepared by thermal evaporation onto a GaAs(001) substrate with an intermediate Ag(001) buffer layer. HRTEM images showed that Si layers grow amorphous and the epitaxial growth of the Fe is good only for the first deposited layer. The CEMS spectra show that at all Fe/Si and Si/Fe interfaces a paramagnetic c-Fe{sub 1−x}Si phase is formed, which contains 16% of the nominal Fe deposited in the Fe layer. The bottom Fe layer, which is in contact with the Ag buffer, also contains α-Fe and an Fe{sub 1−x}Si{sub x} alloy that cannot be attributed to a single phase. In contrast, the other two layers only comprise an Fe{sub 1−x}Si{sub x} alloy with a Si concentration of ≃0.15, but no α-Fe.

  7. Electron spectroscopy analysis

    Science.gov (United States)

    Gregory, John C.

    1992-01-01

    The Surface Science Laboratories at the University of Alabama in Huntsville (UAH) are equipped with x-ray photoelectron spectroscopy (XPS or ESCA) and Auger electron spectroscopy (AES) facilities. These techniques provide information from the uppermost atomic layers of a sample, and are thus truly surface sensitive. XPS provides both elemental and chemical state information without restriction on the type of material that can be analyzed. The sample is placed into an ultra high vacuum (UHV) chamber and irradiated with x-rays which cause the ejection of photoelectrons from the sample surface. Since x-rays do not normally cause charging problems or beam damage, XPS is applicable to a wide range of samples including metals, polymers, catalysts, and fibers. AES uses a beam of high energy electrons as a surface probe. Following electronic rearrangements within excited atoms by this probe, Auger electrons characteristic of each element present are emitted from the sample. The main advantage of electron induced AES is that the electron beam can be focused down to a small diameter and localized analysis can be carried out. On the rastering of this beam synchronously with a video display using established scanning electron microscopy techniques, physical images and chemical distribution maps of the surface can be produced. Thus very small features, such as electronic circuit elements or corrosion pits in metals, can be investigated. Facilities are available on both XPS and AES instruments for depth-profiling of materials, using a beam of argon ions to sputter away consecutive layers of material to reveal sub-surface (and even semi-bulk) analyses.

  8. SPectrometer for Internal Conversion Electrons (SPICE) at TRIUMF-ISAC

    Science.gov (United States)

    Smallcombe, J.; Moukaddam, M.; Evitts, L. J.; Garnsworthy, A. B.; Hallam, S.; Andreoiu, C.; Ball, G. C.; Bolton, C.; Caballero-Folch, R.; Constable, M.; Cross, D. S.; Garrett, P. E.; Hackman, G.; Henderson, J.; Henderson, R.; Ketelhut, S.; Kruecken, R.; Kurchaninov, L.; Park, J.; Pore, J. L.; Rand, E. T.; Ruotsalainen, P.; Smith, J. K.; Svensson, C. E.; Williams, M.

    2016-09-01

    A new ancillary detector, SPICE (SPectrometer for Internal Conversion Electrons) has been constructed and recently commissioned for use with radioactive ion beams at the TRIUMF-ISAC II facility. SPICE is designed to be operated in conjunction with the TIGRESS High-Purity Germanium (HPGe) spectrometer to perform combined in-beam γ-ray and internal-conversion-electron spectroscopy. The main feature of SPICE is high effciency over a wide range of electron energies from 100 to 3500 keV, with an effective reduction of beam-induced backgrounds. SPICE will be a powerful tool to measure conversion coeffcients and E0 transitions in atomic nuclei. A recent in-beam commissioning experiment demonstrates the effectiveness of the basic design concept of SPICE in background suppression.

  9. Measurement of internal conversion electrons from Gd neutron capture

    Energy Technology Data Exchange (ETDEWEB)

    Kandlakunta, P. [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, OH 43210 (United States); Cao, L.R., E-mail: cao.152@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, OH 43210 (United States); Mulligan, P. [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, OH 43210 (United States)

    2013-03-21

    Gadolinium (Gd) is a suitable material for neutron conversion because of its superior neutron absorption cross-section. However, the principal secondary particles that generate electron-hole pairs in a semiconductor detector after Gd neutron capture are low-energy internal conversion (IC) electrons. We measured the IC electron spectrum due to Gd neutron capture by using a thermal neutron beam and a digitizer-based multidetector spectroscopy. We also discussed the effective use of the IC electrons in the context of a twin-detector design and the associated gamma-ray rejection issues. Extensive simulations of the spectra of IC electrons and gamma rays agreed well with the experimental results; both types of results support the feasibility of the proposed n–γ separation method.

  10. Thermo electronic laser energy conversion

    Science.gov (United States)

    Hansen, L. K.; Rasor, N. S.

    1976-01-01

    The thermo electronic laser energy converter (TELEC) is described and compared to the Waymouth converter and the conventional thermionic converter. The electrical output characteristics and efficiency of TELEC operation are calculated for a variety of design variables. Calculations and results are briefly outlined. It is shown that the TELEC concept can potentially convert 25 to 50 percent of incident laser radiation into electric power at high power densities and high waste heat rejection temperatures.

  11. Electron spectroscopy of crystals

    CERN Document Server

    Nemoshkalenko, V V

    1979-01-01

    This book is conceived as a monograph, and represents an up-to-date collection of information concerning the use of the method of X-ray photoelectron spec­ troscopy in the study of the electron structure of crystals, as well as a personal interpretation of the subject by the authors. In a natural way, the book starts in Chapter 1 with a recapitulation of the fundamentals of the method, basic relations, principles of operation, and a com­ parative presentation of the characteristics and performances of the most com­ monly used ESCA instruments (from the classical ones-Varian, McPherson, Hewlett Packard, and IEEE-up to the latest model developed by Professor Siegbahn in Uppsala), and continues with a discussion of some of the difficult problems the experimentalist must face such as calibration of spectra, prepara­ tion of samples, and evaluation of the escape depth of electrons. The second chapter is devoted to the theory of photoemission from crystal­ line solids. A discussion of the methods of Hartree-Fo...

  12. 57Fe-ion implantation in pulse laser deposited La0.75Ca0.25MnO3 films: Conversion electron Mössbauer spectroscopy and X-ray diffraction studies

    Indian Academy of Sciences (India)

    U D Lanke; J Prabhjyot Pal

    2000-02-01

    Oriented La0.75Ca0.25MnO3 (LCMO) films have been deposited by pulsed laser deposition (PLD) method on (100) LaAlO3 substrates. Ion-beam technique is used to introduce a very low concentration of 57Fe+ in LCMO film. The deposited films were subjected to 100 keV 57Fe+ implantation with different fluences at room temperature. The main motivation of this work was to study the influence of implantation on the transport mechanism in materials exhibiting colossal magnetoresistance (CMR) property. It is observed that Fe implantation drastically affects the structural and magneto-transport properties. The samples were characterized using the X-ray diffraction (XRD) technique, conversion electron Mössbauer spectroscopy (CEMS) and resistance temperature (–) measurements.

  13. Ultrafast Electron Dynamics in Solar Energy Conversion.

    Science.gov (United States)

    Ponseca, Carlito S; Chábera, Pavel; Uhlig, Jens; Persson, Petter; Sundström, Villy

    2017-08-23

    Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic processes, invariably starts with photoinduced generation of energy-rich electrons. The harvesting of these electrons in practical devices rests on a series of electron transfer processes whose dynamics and efficiencies determine the function of materials and devices. To capture the energy of a photogenerated electron-hole pair in a solar cell material, charges of opposite sign have to be separated against electrostatic attractions, prevented from recombining and being transported through the active material to electrodes where they can be extracted. In photocatalytic solar fuel production, these electron processes are coupled to chemical reactions leading to storage of the energy of light in chemical bonds. With the focus on the ultrafast time scale, we here discuss the light-induced electron processes underlying the function of several molecular and hybrid materials currently under development for solar energy applications in dye or quantum dot-sensitized solar cells, polymer-fullerene polymer solar cells, organometal halide perovskite solar cells, and finally some photocatalytic systems.

  14. Weight Estimation of Electronic Power Conversion Systems

    OpenAIRE

    Wen, Bo

    2011-01-01

    Electronic power conversion systems with large number of power converters have a variety of applications, such as data center, electric vehicles and future smart â nanogridâ in residential home. Those systems could have very different architectures. For example, one system could be based on ac, dc or hybrid power distribution bus, and the bus voltage could be different. Also those systems have great need to develop low-cost architectures which reduce weight, increase efficiency and improve...

  15. Ultrafast Internal Conversion of Aromatic Molecules Studied by Photoelectron Spectroscopy using Sub-20 fs Laser Pulses

    Directory of Open Access Journals (Sweden)

    Toshinori Suzuki

    2014-02-01

    Full Text Available This article describes our recent experimental studies on internal conversion via a conical intersection using photoelectron spectroscopy. Ultrafast S2(ππ*–S1(nπ* internal conversion in pyrazine is observed in real time using sub-20 fs deep ultraviolet pulses (264 and 198 nm. While the photoelectron kinetic energy distribution does not exhibit a clear signature of internal conversion, the photoelectron angular anisotropy unambiguously reveals the sudden change of electron configuration upon internal conversion. An explanation is presented as to why these two observables have different sensitivities to internal conversion. The 198 nm probe photon energy is insufficient for covering the entire Franck-Condon envelopes upon photoionization from S2/S1 to D1/D0. A vacuum ultraviolet free electron laser (SCSS producing 161 nm radiation is employed to solve this problem, while its pulse-to-pulse timing jitter limits the time resolution to about 1 ps. The S2–S1 internal conversion is revisited using the sub-20 fs 159 nm pulse created by filamentation four-wave mixing. Conical intersections between D1(π−1 and D0(n−1 and also between the Rydberg state with a D1 ion core and that with a D0 ion core of pyrazine are studied by He(I photoelectron spectroscopy, pulsed field ionization photoelectron spectroscopy and one-color resonance-enhanced multiphoton ionization spectroscopy. Finally, ultrafast S2(ππ*–S1(ππ* internal conversion in benzene and toluene are compared with pyrazine.

  16. Education and solar conversion. Demonstrating electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Smestad, Greg P. [Institute of Physical Chemistry, ICP-2, Swiss Federal Institute of Technology, EPFL, CH-1015 Lausanne (Switzerland)

    1998-07-23

    A simplified solar cell fabrication procedure is presented that uses natural anthocyanin or chlorophyll dyes extracted from plants. This procedure illustrates how interdisciplinary science can be taught at lower division university and upper division high school levels for an understanding of renewable energy as well as basic science concepts. Electron transfer occurs on the Earth in the mitochondrial membranes found in living cells, and in the thylakoid membranes found in the photosynthetic cells of green plants. Since we depend on the results of this electron and energy transfer, e.g. in our use of petroleum and agricultural products, it is desirable to understand and communicate how the electron transfer works. The simplified solar cell fabrication procedure, based on nanocrystalline dye-sensitized solar cells, has therefore been developed so that it can be inexpensively reproduced and utilized in the teaching of basic principles in biology, chemistry, physics, and environmental science. A water-based solution of commercial nanocrystalline titanium dioxide (TiO{sub 2}) powder is used to deposit a highly porous semiconductor electron acceptor. This acceptor couples the light-driven processes occurring at an organic dye to the macroscopic world and an external electrical circuit. Materials science and semiconductor physics are emphasized during the deposition of the sintered TiO{sub 2} nanocrystalline ceramic film. Chelation, complexation and molecular self-assembly are demonstrated during the attachment of the dye molecule to the surface of the TiO{sub 2} semiconductor particles. Environmental chemistry and energy conversion can be linked to these concepts via the regenerative oxidation and reduction cycle found in the cell. The resulting device, made in under 3 h, can be used as a light detector or power generator that produces 0.4-0.5 V at open circuit, and 1-2 mA per square cm under solar illumination

  17. Electronic spectroscopy of diatomic VC.

    Science.gov (United States)

    Krechkivska, Olha; Morse, Michael D

    2013-12-19

    Resonant two-photon ionization spectroscopy has been applied to diatomic VC, providing the first optical spectrum of this molecule. The ground state is determined to be a (2)Δ3/2 state that arises from the 1σ(2)1π(4)2σ(2)1δ(1) configuration. The r0" ground-state bond length is 1.6167(3) Å. The manifold of excited vibronic states in the visible portion of the spectrum is quite dense, but two possible vibrational progressions have been identified. It is noted that VC joins CrC, NbC, and MoC as species in which the metal ns-based 3σ orbital is unoccupied, resulting in large dipole moments in the ground states of these molecules. In the corresponding 5d metal carbides, however, the 3σ orbital is occupied, leading to different ground electronic states of the 5d congeners, TaC and WC.

  18. The Spectrometer for Internal Conversion Electrons at TRIUMF-ISAC

    Science.gov (United States)

    Smallcombe, James; Evitts, Lee; Garnsworthy, Adam; Moukaddam, Mohamad; Spice Collaboration

    2016-09-01

    SPICE (SPectrometer for Internal Conversion Electrons) is a powerful tool to measure conversion coefficients and E 0 transitions in nuclei. E 0 transition strengths, which are not accessible by gamma-ray spectroscopy, are a sparsely measured observable. Such transition strengths are particularly sensitive to nuclear shape and state mixing effects and as such are a key item of data in studying the evolution of shape coexistence. SPICE is an ancillary detector that has been commissioned for use with Radioactive Ion Beams (RIBs) at the ISAC-II facility of TRIUMF. The main feature of SPICE is high efficiency over a range of electron energies from 100 to 3500 keV, crucial for work with RIBs, and an effective reduction of beam-induced backgrounds. This is achieved with an upstream magnetic lens, a high- Z photon shield and a large-area lithium-drifted silicon detector. A major theme of the physics program will be the investigation of shape coexistence and state mixing in exotic nuclei. An overview of the main features of SPICE will be presented alongside details of the commissioning and preliminary data from the first experiment studying excited structures in 110Pd. Natural Sciences and Engineering Research Council of Canada (NSERC), Canada Foundation for Innovation (CFI), Ontario Ministry of Research and Innovation (MRI).

  19. Electron spectrometer for gas-phase spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bozek, J.D.; Schlachter, A.S. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    An electron spectrometer for high-resolution spectroscopy of gaseous samples using synchrotron radiation has been designed and constructed. The spectrometer consists of a gas cell, cylindrical electrostatic lens, spherical-sector electron energy analyzer, position-sensitive detector and associated power supplies, electronics and vacuum pumps. Details of the spectrometer design are presented together with some representative spectra.

  20. Photoelectrochemical solar conversion systems molecular and electronic aspects

    CERN Document Server

    Munoz, Andres G

    2012-01-01

    Providing new insights into the molecular and electronic processes involved in the conversion of sunlight into chemical products, Photoelectrochemical Solar Conversion Systems: Molecular and Electronic Aspects begins with an historical overview and a survey of recent developments in the electrochemistry of semiconductors and spectroscopic techniques. It then provides a comprehensive introduction to the science of conversion cells, reviews current issues and potential directions, and covers a wide range of materials from organic to inorganic cells.Employing a tutorial organization with balanced

  1. Simultaneous spectroscopy of $\\gamma$- rays and conversion electrons: Systematic study of EO transitions and intruder states in close vicinity of mid-shell point in odd-Au isotopes

    CERN Multimedia

    Venhart, M; Grant, A F; Petrik, K

    This proposal focuses on detailed systematic studies of the $\\beta$ /EC-decays of $^{179,181,183,185}$Hg leading to excited states in the neutron-deficient Au isotopes in the vicinity of the N=104 midshell. $\\gamma$-ray, X-ray and conversion electron de-excitations of odd-A Au isotopes will be studied simultaneously. These studies will address important structural questions such as the excitation energies of coexisting states, properties of multiple intruder states (i.e. intruder particles coupled to intruder cores) and mixing of coexisting structures. The unique combination of Hg beam purity and yields make ISOLDE a unique facility for these experiments.

  2. Synchrotron-based spectroscopy for solar energy conversion

    Science.gov (United States)

    Himpsel, F. J.; Cook, P. L.; Zegkinoglou, I.; Boukahil, Idris; Qiao, R.; Yang, W.; Pemmaraju, S. C.; Prendergast, D.; Kronawitter, C. X.; Kibria, M. G.; Mi, Zetian; Vayssieres, L.

    2015-09-01

    X-rays from synchrotron radiation enable incisive spectroscopic techniques which speed up the discovery of new materials for photovoltaics and photoelectrochemistry. A particularly useful method is X-ray absorption spectroscopy (XAS), which probes empty electronic states. XAS is element- and bond-specific, with the additional capability of determining the bond orientation. Close feedback from density functional calculations makes it possible to discover and exploit systematic trends in the electronic properties. Case studies are presented, such as solar cells that combine an absorber with an electron donor and an acceptor in one molecular complex and nanowire arrays serving as photoanodes for water splitting. In addition to the energy levels the lifetimes of the charge carriers play an essential role in device performance. A new generation of laser-like X-ray sources will make it possible to follow the fate of excited charge carriers traveling across a molecular complex or through a device structure in real time.

  3. Photoelectron spectroscopy and Auger electron spectroscopy of solids and surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kowalczyk, S.P.

    1976-01-01

    The use of photoelectron spectroscopy, primarily x-ray photoelectron spectroscopy, to obtain information on the electronic structure of a wide variety of solids (especially the bulk electronic structure of solids) is covered. Both valence band and core-level spectra, as well as a few cases of photon excited Auger electron spectroscopy, are employed in the investigations to derive information on N(E). The effect of several modulations inherent in the measured I(E)'s, such as final state band structure, cross section, and relaxation, is discussed. Examples of many-electron interactions in PES are given. Some experimental aspects of PES and AES studies are given with emphasis on sample preparation techniques. Multiple splitting of core levels is examined using the Mn levels in MnF/sub 2/ as a detailed case study. Core level splittings in transition metals, rare earth metals, transition metal halides and several alloys are also reported. The application of PES to the study of the chemical bond in some crystalline semiconductors and insulators, A/sup N/B/sup 8-N/ and A/sup N/B/sup 10-N/ compounds is treated, and a spectroscopic scale of ionicity for these compounds is developed from the measured ''s-band'' splitting in the valence band density of states. (GHT)

  4. Characterization of Molybdate Conversion Coatings for Aluminum Alloys by Electrochemical Impedance Spectroscopy

    Science.gov (United States)

    Calle, Luz Marina

    2000-01-01

    Electrochemical impedance spectroscopy (EIS) was used to investigate the corrosion inhibiting properties of newly developed proprietary molybdate conversion coatings on aluminum alloy 2024-T3 under immersion in aerated 5% (w/w) NaCl. Corrosion potential and EIS measurements were gathered for six formulations of the coating at several immersion times for two weeks. Nyquist as well as Bode plots of the data were obtained. The conversion-coated alloy panels showed an increase in the corrosion potential during the first 24 hours of immersion that later subsided and approached a steady value. Corrosion potential measurements indicated that formulations A, D, and F exhibit a protective effect on aluminum 2024-T3. The EIS spectra of the conversion-coated alloy were characterized by an impedance that is higher than the impedance of the bare alloy at all the immersion times. The low frequency impedance, Z(sub lf) (determined from the value at 0.05 Hz) for the conversion-coated alloy was higher at all the immersion times than that of the bare panel. This indicates improvement of corrosion resistance with addition of the molybdate conversion coating. Scanning electron microscopy (SEM) revealed the presence of cracks in the coating and the presence of cubic crystals believed to be calcium carbonate. Energy dispersive spectroscopy (EDS) of the test panels revealed the presence of high levels of aluminum, oxygen, and calcium but did not detect the presence of molybdenum on the test panels. X-ray photoelectron spectroscopy (XPS) indicated the presence of less than 0.01 atomic percent molybdenum on the surface of the coating.

  5. Dynamical effects in electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Jianqiang Sky, E-mail: jianqiang.zhou@polytechnique.edu; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Kas, J. J.; Rehr, J. J. [Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States); Sponza, Lorenzo [Department of Physics, King’s College London, London WC2R 2LS (United Kingdom); Guzzo, Matteo [Institut für Physik und IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin (Germany); Gatti, Matteo [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette (France)

    2015-11-14

    One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case.

  6. Proximity Scanning Transmission Electron Microscopy/Spectroscopy

    CERN Document Server

    Hwang, Ing-Shouh

    2016-01-01

    Here a new microscopic method is proposed to image and characterize very thin samples like few-layer materials, organic molecules, and nanostructures with nanometer or sub-nanometer resolution using electron beams of energies lower than 20 eV. The microscopic technique achieves high resolution through the proximity (or near-field) effect, as in scanning tunneling microscopy (STM), while it also allows detection of transmitted electrons for imaging and spectroscopy, as in scanning transmission electron microscopy (STEM). This proximity transmission electron microscopy (PSTEM) does not require any lens to focus the electron beam. It also allows detailed characterization of the interaction of low-energy electron with materials. PSTEM can operate in a way very similar to scanning tunneling microscopy, which provides high-resolution imaging of geometric and electronic structures of the sample surface. In addition, it allows imaging and characterization of the interior structures of the sample based on the detected...

  7. Chiral specific electron vortex beam spectroscopy

    CERN Document Server

    Yuan, J; Babiker, M

    2013-01-01

    Electron vortex beams carry well-defined orbital angular momentum (OAM) about the propagation axis. Such beams are thus characterised by chirality features which make them potentially useful as probes of magnetic and other chiral materials. An analysis of the inelastic processes in which electron vortex beams interact with atoms and which involve OAM exchange is outlined, leading to the multipolar selection rules governing this chiral specific electron vortex beam spectroscopy. Our results show clearly that the selection rules are dependent on the dynamical state and location of the atoms involved. In the most favorable scenario, this form of electron spectroscopy can induce magnetic sublevel transitions which are commonly probed using circularly polarized photon beams.

  8. Effects of electronic coherence in ultrafast spectroscopy

    Science.gov (United States)

    Bennett, Kochise

    Electronic dynamics takes place at the attosecond timescale. Recent technological advancements permit the creation of light pulses with durations in the attosecond regime, opening up the possibility of monitoring this ultrafast dynamics in real time. In particular, it becomes possible to observe the time-dependent interference between material electronic states, thus tracking the electronic energies temporally. This information, originating in the coherence terms in the electronic density matrix, can provide spectral information in the time-domain. Such an approach is particularly useful when the desired information is transient. In this thesis, we examine how electronic coherences contribute to photoelectron and a variety of x-ray Raman signals. We then utilize photoelectron spectroscopy and linear off-resonant Raman (TRUECARS) to track the dynamics of a model system by way of example.

  9. Infrared spectroscopy: a tool for determination of the degree of conversion in dental composites

    Directory of Open Access Journals (Sweden)

    Luciene Gonçalves Palmeira Moraes

    2008-04-01

    Full Text Available Infrared spectroscopy is one of the most widely used techniques for measurement of conversion degree in dental composites. However, to obtain good quality spectra and quantitative analysis from spectral data, appropriate expertise and knowledge of the technique are mandatory. This paper presents important details to use infrared spectroscopy for determination of the conversion degree.

  10. Pulsed electron-nuclear-electron triple resonance spectroscopy

    Science.gov (United States)

    Thomann, Hans; Bernardo, Marcelino

    1990-05-01

    A new experimental technique, pulsed electron-nuclear-electron triple resonance spectroscopy, is demonstrated. It is based on a modification of the pulse sequence for electron-nuclear double resonance (ENDOR) in which two EPR and one NMR transition are irradiated. The irradiation of one EPR transition is detected via a second EPR transition. The nuclear hyperfine coupling, which separates these EPR transition frequencies, is the irradiated NMR transition. The major advantages of triple resonance spectroscopy include the ability to resolve overlapping nuclear resonances in the ENDOR spectrum and a more direct quantitative assignment of nuclear hyperfine and quadrupole couplings. The triple resonance experiment is an alternative to the recently proposed method of employing rapid magnetic field jumps between microwave pulses for generating hyperfine selective ENDOR spectra.

  11. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

    Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

  12. Laser X-ray Conversion and Electron Thermal Conductivity*

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The influence of electron thermal conductivity on the laser x-ray conversion in the coupling of 3ωo laser with Au plane target has been investigated by using a non-LTE radiation hydrodynamic code. The non-local electron thermal conductivity is introduced and compared with the other two kinds of the flux-limited Spitzer-Harm description. The results show that the non-local thermal conductivity causes the increase of the laser x-ray conversion efficiency andimportant changes of the plasma state and coupling feature

  13. Inelastic Electron Tunneling Spectroscopy for Topological Insulators

    Science.gov (United States)

    She, Jian-Huang; Fransson, Jonas; Bishop, A. R.; Balatsky, Alexander V.

    2013-01-01

    Inelastic electron tunneling spectroscopy is a powerful spectroscopy that allows one to investigate the nature of local excitations and energy transfer in the system of interest. We study inelastic electron tunneling spectroscopy for topological insulators and investigate the role of inelastic scattering on the Dirac node states on the surface of topological insulators. Local inelastic scattering is shown to significantly modify the Dirac node spectrum. In the weak coupling limit, peaks and steps are induced in second derivative d2I/dV2. In the strong coupling limit, the local negative-U centers are formed at impurity sites, and the Dirac cone structure is fully destroyed locally. At intermediate coupling, resonance peaks emerge. We map out the evolution of the resonance peaks from weak to strong coupling, which interpolate nicely between the two limits. There is a sudden qualitative change of behavior at intermediate coupling, indicating the possible existence of a local quantum phase transition. We also find that, even for a simple local phonon mode, the inherent coupling of spin and orbital degrees in topological insulators leads to the spin-polarized texture in inelastic Friedel oscillations induced by the local mode.

  14. Stimulated excitation electron microscopy and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Howie, A.

    2015-04-15

    Recent advances in instrumentation for electron optics and spectroscopy have prompted exploration of ultra-low excitations such as phonons, bond vibrations and Johnson noise. These can be excited not just with fast electrons but also thermally or by other external sources of radiation. The near-field theory of electron energy loss and gain provides a convenient platform for analysing these processes. Possibilities for selected phonon mapping and imaging are discussed. Effects should certainly be observable in atomic resolution structure imaging but diffraction contrast imaging could perhaps be more informative. Additional exciting prospects to be explored include the transition from phonon excitation to single atom recoil and the boosting of energy loss and gain signals with tuned laser illumination. - Highlights: • Electron energy gains and losses measure thermal or laser boosting of excitations. • Electron energy gains and losses are conveniently analysed by near field theory. • Diffraction contrast theory is relevant for phonon imaging by electrons. • The transition from phonon excitation to single atom recoil deserves study.

  15. Imaging molecular geometry with electron momentum spectroscopy

    Science.gov (United States)

    Wang, Enliang; Shan, Xu; Tian, Qiguo; Yang, Jing; Gong, Maomao; Tang, Yaguo; Niu, Shanshan; Chen, Xiangjun

    2016-12-01

    Electron momentum spectroscopy is a unique tool for imaging orbital-specific electron density of molecule in momentum space. However, the molecular geometry information is usually veiled due to the single-centered character of momentum space wavefunction of molecular orbital (MO). Here we demonstrate the retrieval of interatomic distances from the multicenter interference effect revealed in the ratios of electron momentum profiles between two MOs with symmetric and anti-symmetric characters. A very sensitive dependence of the oscillation period on interatomic distance is observed, which is used to determine F-F distance in CF4 and O-O distance in CO2 with sub-Ångström precision. Thus, using one spectrometer, and in one measurement, the electron density distributions of MOs and the molecular geometry information can be obtained simultaneously. Our approach provides a new robust tool for imaging molecules with high precision and has potential to apply to ultrafast imaging of molecular dynamics if combined with ultrashort electron pulses in the future.

  16. Four-dimensional coherent electronic Raman spectroscopy

    Science.gov (United States)

    Harel, Elad

    2017-04-01

    The correlations between different quantum-mechanical degrees of freedom of molecular species dictate their chemical and physical properties. Generally, these correlations are reflected in the optical response of the system but in low-order or low-dimensionality measurement the signals are highly averaged. Here, we describe a novel four-dimensional coherent spectroscopic method that directly correlates within and between the manifold of electronic and vibrational states. The optical response theory is developed in terms of both resonant and non-resonant field-matter interactions. Using resonance to select coherences on specific electronic states creates opportunities to directly distinguish coherent dynamics on the ground and electronically excited potentials. Critically, this method is free from lower-order signals that have plagued other electronically non-resonant vibrational spectroscopies. The theory presented here compliments recent work on the experimental demonstration of the 4D spectroscopic method described. We highlight specific means by which non-trivial effects such as anharmonicity (diagonal and off-diagonal), mode-specific vibronic coupling, and curvature of the excited states manifest in different projections of the 4D spectrum.

  17. Conversion electron study of {sup 110}Cd: Evidence of new E0 branches

    Energy Technology Data Exchange (ETDEWEB)

    Jigmeddorj, B.; Garrett, P.E.; Diaz Varela, A.; Bangay, J.C.; Demand, G.A.; Green, K.L.; Rand, E.T.; Sumithrarachchi, C.; Svensson, C.E.; Wong, J. [University of Guelph, Department of Physics, Guelph, ON (Canada); Ball, G.C.; Garnsworthy, A.B.; Hackman, G. [TRIUMF, Vancouver, BC (Canada); Cross, D.S. [Simon Fraser University, Department of Chemistry, Burnaby, BC (Canada); Kulp, W.D.; Wood, J.L. [Georgia Institute of Technology, School of Physics, Atlanta, GA (United States); Leach, K.G. [University of Guelph, Department of Physics, Guelph, ON (Canada); TRIUMF, Vancouver, BC (Canada); Orce, J.N. [TRIUMF, Vancouver, BC (Canada); University of the Western Cape, Department of Physics, Bellville (South Africa); Triambak, S. [TRIUMF, Vancouver, BC (Canada); University of the Western Cape, Department of Physics, Bellville (South Africa); iThemba LABS, Somerset West (South Africa); Yates, S.W. [University of Kentucky, Departments of Chemistry and Physics and Astronomy, Lexington, KY (United States)

    2016-02-15

    Excited states of {sup 110}Cd were studied with conversion electron spectroscopy following the β{sup +}/EC decay of {sup 110}In. Internal conversion coefficients from K-shell electrons are extracted from γ - e{sup -} coincidences and compared with expected values for E1, M1, and E2 transitions, allowing the assignment of the transition multipolarities. The α{sub K} values for transitions connecting the 4{sup +} and 6{sup +} members of the deformed intruder band and the ground-state band show evidence for E0 components. The extracted ρ{sup 2}(E0).10{sup 3} value for the 4{sup +}{sub 3}→4{sup +}{sub 1} 708 keV transition is determined to be 106{sup +98}{sub -91}. (orig.)

  18. Modeling power electronics and interfacing energy conversion systems

    CERN Document Server

    Simões, Marcelo Godoy

    2017-01-01

    Discusses the application of mathematical and engineering tools for modeling, simulation and control oriented for energy systems, power electronics and renewable energy. This book builds on the background knowledge of electrical circuits, control of dc/dc converters and inverters, energy conversion and power electronics. The book shows readers how to apply computational methods for multi-domain simulation of energy systems and power electronics engineering problems. Each chapter has a brief introduction on the theoretical background, a description of the problems to be solved, and objectives to be achieved. Block diagrams, electrical circuits, mathematical analysis or computer code are covered. Each chapter concludes with discussions on what should be learned, suggestions for further studies and even some experimental work.

  19. Single-atom electron energy loss spectroscopy of light elements

    National Research Council Canada - National Science Library

    Senga, Ryosuke; Suenaga, Kazu

    2015-01-01

    ... scattering power and higher knock-on probability. Here we propose a concept for detecting light atoms encaged in a nanospace by means of electron energy loss spectroscopy using inelastically scattered electrons...

  20. The {nu}MSM and muon to electron conversion experiments

    Energy Technology Data Exchange (ETDEWEB)

    Canetti, Laurent, E-mail: laurent.canetti@epfl.ch; Shaposhnikov, Mikhail, E-mail: mikhail.shaposhnikov@epfl.ch [EPFL, ITP (Switzerland)

    2013-03-15

    We review briefly the different constraints on the three right-handed neutrinos of the {nu}MSM, an extension of the Standard Model that can explain baryon asymmetry, dark matter and neutrino masses. We include in the discussion the proposed experiments on muon to electron conversion Mu2e (Carey et al., Mu2e Collaboration, 2012), COMET and PRISM (Hungerford, COMET Collaboration, AIP Conf Proc 1182:694, 2009; Cui et al., COMET Collaboration, 2012). We find that the expected sensitivity of these experiments is weaker by about two orders of magnitude than the constraints coming from successful baryogenesis.

  1. Thermo-electronic solar power conversion with a parabolic concentrator

    Science.gov (United States)

    Olukunle, Olawole C.; De, Dilip K.

    2016-02-01

    We consider the energy dynamics of the power generation from the sun when the solar energy is concentrated on to the emitter of a thermo-electronic converter with the help of a parabolic mirror. We use the modified Richardson-Dushman equation. The emitter cross section is assumed to be exactly equal to the focused area at a height h from the base of the mirror to prevent loss of efficiency. We report the variation of output power with solar insolation, height h, reflectivity of the mirror, and anode temperature, initially assuming that there is no space charge effect. Our methodology allows us to predict the temperature at which the anode must be cooled in order to prevent loss of efficiency of power conversion. Novel ways of tackling the space charge problem have been discussed. The space charge effect is modeled through the introduction of a parameter f (0 solar insolation, height h, apart from radii R of the concentrator aperture and emitter, and the collector material properties. We have also considered solar thermos electronic power conversion by using single atom-layer graphene as an emitter.

  2. Tunable Mixed Ionic/Electronic Conductivity and Permittivity of Graphene Oxide Paper for Electrochemical Energy Conversion.

    Science.gov (United States)

    Bayer, Thomas; Bishop, Sean R; Perry, Nicola H; Sasaki, Kazunari; Lyth, Stephen M

    2016-05-11

    Graphene oxide (GO) is a two-dimensional graphitic carbon material functionalized with oxygen-containing surface functional groups. The material is of interest in energy conversion, sensing, chemical processing, gas barrier, and electronics applications. Multilayer GO paper has recently been applied as a new proton conducting membrane in low temperature fuel cells. However, a detailed understanding of the electrical/dielectric properties, including separation of the ionic vs electronic contributions under relevant operating conditions, has so far been lacking. Here, the electrical conductivity and dielectric permittivity of GO paper are investigated in situ from 30 to 120 °C, and from 0 to 100% relative humidity (RH) using impedance spectroscopy. These are related to the water content, measured by thermogravimetric analysis. With the aid of electron blocking measurements, GO is demonstrated to be a mixed electronic-protonic conductor, and the ion transference number is derived for the first time. For RH > 40%, conductivity is dominated by proton transport (with a maximum of 0.5 mS/cm at 90 °C and 100% RH). For RH proton conducting electrolyte but also as a mixed conducting electrode material under appropriate conditions. Such materials are highly applicable in electrochemical energy conversion and storage devices such as fuel cells and electrolyzers.

  3. Laser-driven micro-Coulomb charge movement and energy conversion to relativistic electrons

    Science.gov (United States)

    Cobble, J. A.; Palaniyappan, S.; Johnson, R. P.; Shimada, T.; Huang, C.; Gautier, D. C.; Clark, D. D.; Falk, K.; Jung, D.

    2016-09-01

    Development of robust instrumentation has shown evidence for a multi-μC expulsion of relativistic electrons from a sub-μm-thick foil, laser illuminated with 60-70 J on target at 2 × 1020 W/cm2. From previous work and with electron spectroscopy, it is seen that an exponential electron energy distribution is accurate enough to calculate the emitted electron charge and energy content. The 5-10-μC charge for the >100-TW Trident Laser represents the first active measurement of the >50% laser-light-to-electron conversion efficiency. By shorting out the TV/m electric field usually associated with accelerating multi-MeV ions from such targets, one finds that this charge is representative of a multi-MA current of relativistic electrons for diverse applications from electron fast ignition to advanced radiography concepts. Included with the details of the discoveries of this research, shortcomings of the diagnostics and means of improving their fidelity are discussed.

  4. Electron energy-loss spectroscopy study of hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Burnham, N.A.; Fisher, R.F.; Asher, S.E.; Kazmerski, L.L.

    1987-07-01

    Electron energy-loss spectroscopy is used to study hydrogenated amorphous silicon (a-Si:H). Core-level and plasma excitations were examined as a function of hydrogen content. This technique and its interpretation reveals a consistent picture of the electron excitations within this important material. The a-Si:H thin films were fabricated by rf sputtering. Their hydrogen concentrations ranged from 0% to 15%. Hydrogen content was determined by infrared spectroscopy and secondary ion mass spectroscopy. X-ray photoelectron spectroscopy and inspection of the silicon Auger-KLL peak confirmed the silicon core levels.

  5. Two-Dimensional Electronic Spectroscopy Using Incoherent Light: Theoretical Analysis

    CERN Document Server

    Turner, Daniel B; Sutor, Erika J; Hendrickson, Rebecca A; Gealy, M W; Ulness, Darin J

    2012-01-01

    Electronic energy transfer in photosynthesis occurs over a range of time scales and under a variety of intermolecular coupling conditions. Recent work has shown that electronic coupling between chromophores can lead to coherent oscillations in two-dimensional electronic spectroscopy measurements of pigment-protein complexes measured with femtosecond laser pulses. A persistent issue in the field is to reconcile the results of measurements performed using femtosecond laser pulses with physiological illumination conditions. Noisy-light spectroscopy can begin to address this question. In this work we present the theoretical analysis of incoherent two-dimensional electronic spectroscopy, I(4) 2D ES. Simulations reveal diagonal peaks, cross peaks, and coherent oscillations similar to those observed in femtosecond two-dimensional electronic spectroscopy experiments. The results also expose fundamental differences between the femtosecond-pulse and noisy-light techniques; the differences lead to new challenges and opp...

  6. Effect of Water on HEMA Conversion by FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    TS. Jafarzadeh Kashi

    2007-09-01

    Full Text Available Objective: The use of HEMA as a biocompatible material in dentin bonding systems and its potential for clinical applications has been well established. Excess water can affect conversion of bonding resins. The aim of this study was to survey the effect of water on the degree of conversion of HEMA by Fourier Transform Infra-red Spectroscopy (FT-IR.Materials and Methods: In this experimental study, distilled water was added in amounts of 0, 0.05, 0.1, 0.2, and 0.4 ml to 1 ml of curable HEMA solution. Six repetitions per wa-ter ratio were made and investigated. Each sample was polymerized for 60 seconds. De-gree of conversion was obtained from the absorbance IR-Spectrum of the materials before and after polymerization by FT-IR spectroscopy. One way ANOVA and Tukey-HSD were carried out to compare and detect any differences among groups.Results: Statistical analysis indicates highly significant difference between pairs of groups at level (P<0.001. The results showed a trend of decreasing in HEMA conversion with increasing water. Degree of conversion changes significantly within the 0.05 ml to 0.2 ml water range. However, degree of conversion did not change after reaching 0.02 ml and before 0.05.Conclusion: Degree of conversion of HEMA decreased by increasing water. The most dramatic effect of water on the polymerization process occurs within a range which exists under clinical conditions. The reason that the degree of conversion did not show signifi-cant result before 0.05 ml may be related to the hydrophilic nature of HEMA.

  7. Impedance Spectroscopy of Dielectrics and Electronic Conductors

    DEFF Research Database (Denmark)

    Bonanos, Nikolaos; Pissis, Polycarpos; Macdonald, J. Ross

    2013-01-01

    Impedance spectroscopy is used for the characterization of materials, such as electroceramics, solid and liquid electrochemical cells, dielectrics and also fully integrated devices, such as fuel cells. It consists of measuring the electrical impedance - or a closely related property, such as admi......Impedance spectroscopy is used for the characterization of materials, such as electroceramics, solid and liquid electrochemical cells, dielectrics and also fully integrated devices, such as fuel cells. It consists of measuring the electrical impedance - or a closely related property......, and procedures for the correction of measurement errors. The applications of impedance spectroscopy are illustrated with examples from electroceramics and polymer-based dielectric systems. The way in which the technique is applied to the two classes of materials is compared with reference to the different models...

  8. Watching the dynamics of electrons and atoms at work in solar energy conversion

    Energy Technology Data Exchange (ETDEWEB)

    Canton, S. E.; Zhang, X.; Liu, Y.; Zhang, J.; Pápai, M.; Corani, A.; Smeigh, A. L.; Smolentsev, G.; Attenkofer, K.; Jennings, G.; Kurtz, C. A.; Li, F.; Harlang, T.; Vithanage, D.; Chabera, P.; Bordage, A.; Sun, L.; Ott, S.; Wärnmark, K.; Sundström, V.

    2015-07-06

    The photochemical reactions performed by transition metal complexes have been proposed as viable routes towards solar energy conversion and storage into other forms that can be conveniently used in our everyday applications. In order to develop efficient materials, it is necessary to identify, characterize and optimize the elementary steps of the entire process on the atomic scale. To this end, we have studied the photoinduced electronic and structural dynamics in two heterobimetallic ruthenium–cobalt dyads, which belong to the large family of donor–bridge–acceptor systems. Using a combination of ultrafast optical and X-ray absorption spectroscopies, we can clock the light-driven electron transfer processes with element and spin sensitivity. In addition, the changes in local structure around the two metal centers are monitored. These experiments show that the nature of the connecting bridge is decisive for controlling the forward and the backward electron transfer rates, a result supported by quantum chemistry calculations. More generally, this work illustrates how ultrafast optical and X-ray techniques can disentangle the influence of spin, electronic and nuclear factors on the intramolecular electron transfer process. Finally, some implications for further improving the design of bridged sensitizer-catalysts utilizing the presented methodology are outlined.

  9. Watching the dynamics of electrons and atoms at work in solar energy conversion.

    Science.gov (United States)

    Canton, S E; Zhang, X; Liu, Y; Zhang, J; Pápai, M; Corani, A; Smeigh, A L; Smolentsev, G; Attenkofer, K; Jennings, G; Kurtz, C A; Li, F; Harlang, T; Vithanage, D; Chabera, P; Bordage, A; Sun, L; Ott, S; Wärnmark, K; Sundström, V

    2015-01-01

    The photochemical reactions performed by transition metal complexes have been proposed as viable routes towards solar energy conversion and storage into other forms that can be conveniently used in our everyday applications. In order to develop efficient materials, it is necessary to identify, characterize and optimize the elementary steps of the entire process on the atomic scale. To this end, we have studied the photoinduced electronic and structural dynamics in two heterobimetallic ruthenium-cobalt dyads, which belong to the large family of donor-bridge-acceptor systems. Using a combination of ultrafast optical and X-ray absorption spectroscopies, we can clock the light-driven electron transfer processes with element and spin sensitivity. In addition, the changes in local structure around the two metal centers are monitored. These experiments show that the nature of the connecting bridge is decisive for controlling the forward and the backward electron transfer rates, a result supported by quantum chemistry calculations. More generally, this work illustrates how ultrafast optical and X-ray techniques can disentangle the influence of spin, electronic and nuclear factors on the intramolecular electron transfer process. Finally, some implications for further improving the design of bridged sensitizer-catalysts utilizing the presented methodology are outlined.

  10. Development of a highly efficient conversion electron Moessbauer spectroscopy (CEMS) detector for low temperature (<20 K) measurements and tests on Fe / (Eu{sub x}Pb{sub 1-x})Te bilayers; Desenvolvimento de um detector de alta eficiencia para espectroscopia Moessbauer de eletrons de conversao (CEMS) a baixas temperaturas (<20K) e testes em bicamadas Fe / (Eu{sub x}Pb{sub 1-x})Te

    Energy Technology Data Exchange (ETDEWEB)

    Pombo, Carlos Jose da Silva Matos

    2006-07-01

    The {sup 57}Fe Moessbauer spectroscopy is a nuclear, non-destructive technique used for the investigation of structural, magnetic and hyperfine properties of several materials. It is a powerful tool in characterizing materials in physics, metallurgy, geology and biology field areas, especially magnetic materials, alloys and minerals containing Fe. Lately, the Conversion Electron Moessbauer Spectroscopy (CEMS) is widely used in making studies on ultra-thin magnetic films, as well as other nanostructured materials. In case of magnetic nanostructures, low temperature (LT) studies are especially important due to the possibility of dealing with superparamagnetic effects. In this work it was developed a CEMS measurement system for low temperatures (<20 K) based on a solid-state electron multiplier (Channeltron{sup R}) and an optical cryostat (Model SVT-400, Janis Research Co, USA), from which the project was originally conceived at the Applied Physics / Moessbauer spectroscopy Department from University of Duisburg-Essen, Germany. The LT-CEMS system was fully built, tested and successfully applied in a preliminary characterization of Fe/(Eu{sub x}Pb{sub 1-x})Te(111) bilayers with use of a 15 angstrom, {sup 57} Fe probe layer, with reasonable results at sample temperatures as low as 8 K. (author)

  11. Electron to Muon Conversion in Low-Energy Electron-Nucleus Scattering

    CERN Document Server

    Diener, Kai-Peer O

    2004-01-01

    We present an estimate of the electron to muon conversion cross section in fixed-target elastic electron scattering. The matrix element $$ is calculated analytically in two scenarios introducing suitable approximations. We consider on the one hand side the case of three light Dirac neutrinos with CKM-type leptonic mixing and on the other hand a typical see-saw scenario. We evaluate the coulombic contribution to the scattering cross section in the limit of vanishing energy transfer to the nucleus and, thus, obtain a realistic estimate for the total conversion cross section. Although we find that in the see-saw scenario the cross section can be enhanced by as much as twenty orders of magnitude in comparison to the Dirac case, it is still not experimentally accessible.

  12. Single-electron detection and spectroscopy via relativistic cyclotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Asner, David M.; Bradley, Rich; De Viveiros Souza Filho, Luiz A.; Doe, Peter J.; Fernandes, Justin L.; Fertl, M.; Finn, Erin C.; Formaggio, Joseph; Furse, Daniel L.; Jones, Anthony M.; Kofron, Jared N.; LaRoque, Benjamin; Leber, Michelle; MCBride, Lisa; Miller, M. L.; Mohanmurthy, Prajwal T.; Monreal, Ben; Oblath, Noah S.; Robertson, R. G. H.; Rosenberg, Leslie; Rybka, Gray; Rysewyk, Devyn M.; Sternberg, Michael G.; Tedeschi, Jonathan R.; Thummler, Thomas; VanDevender, Brent A.; Woods, N. L.

    2015-04-01

    It has been understood since 1897 that accelerating charges should emit electromagnetic radiation. Cyclotron radiation, the particular form of radiation emitted by an electron orbiting in a magnetic field, was first derived in 1904. Despite the simplicity of this concept, and the enormous utility of electron spectroscopy in nuclear and particle physics, single-electron cyclotron radiation has never been observed directly. Here we demonstrate single-electron detection in a novel radiofrequency spectrometer. We observe the cyclotron radiation emitted by individual electrons that are produced with mildly-relativistic energies by a gaseous radioactive source and are magnetically trapped. The relativistic shift in the cyclotron frequency permits a precise electron energy measurement. Precise beta electron spectroscopy from gaseous radiation sources is a key technique in modern efforts to measure the neutrino mass via the tritium decay endpoint, and this work is a proof-of-concept for future neutrino mass experiments using this technique.

  13. Electron Bernstein Wave Emission and Mode Conversion Physics on NSTX

    Energy Technology Data Exchange (ETDEWEB)

    Diem, S J; Caughman, J B; Efthimion, P; Kugel, H; LeBlanc, B P; Preinhaelter, J; Sabbagh, S A; Urban, J

    2008-05-21

    NSTX is a spherical tokamak (ST) that operates with ne up to 1020 m-3 and BT less than 0.6 T, cutting off low harmonic electron cyclotron (EC) emission widely used for Te measurements on conventional aspect ratio tokamaks. The electron Bernstein wave (EBW) can propagate in ST plasmas and is emitted at EC harmonics. These properties suggest thermal EBW emission (EBE) may be used for local Te measurements in the ST. Practically, a robust Te(R,t) EBE diagnostic requires EBW transmission efficiencies of > 90% for a wide range of plasma conditions. EBW emission and coupling physics were studied on NSTX with an obliquely viewing EBW to O-mode (B-X-O) diagnostic with two remotely steered antennas, coupled to absolutely calibrated radiometers. While Te(R,t) measurements with EBW emission on NSTX were possible, they were challenged by several issues. Rapid fluctuations in edge ne scale length resulted in > 20% changes in the low harmonic B-X-O transmission efficiency. Also, B-X-O transmission efficiency 2 during H-modes was observed to decay by a factor of 5-10 to less than a few percent. The B-X-O transmission behavior during H-modes was reproduced by EBE simulations that predict that EBW collisional damping can significantly reduce emission when Te < 30 eV inside the B-X-O mode conversion (MC) layer. Initial edge lithium conditioning experiments during H-modes have shown that evaporated lithium can increase Te inside the B-X-O MC layer, significantly increasing B-X-O transmission.

  14. High-Resolution Measurements of Low-Energy Conversion Electrons

    CERN Multimedia

    Gizon, A; Putaux, J

    2002-01-01

    Measurements of low-energy internal conversion electrons have been performed with high energy resolution in some N = 105 odd and odd-odd nuclei using a semi-circular spectrograph associated to a specific tape transport system. These experiments aimed to answer the following questions~: \\begin{itemize} \\item Do M3 isomeric transitions exist in $^{183}$Pt and $^{181}$Os, isotones of $^{184}$Au~? \\item Are the neutron configurations proposed to describe the isomeric and ground states of $^{184}$Au right or wrong~? \\item Does it exist an isomeric state in $^{182}$Ir, isotone of $^{181}$Os, $^{183}$Pt and $^{184}$Au~? \\item What are the spin and parity values of the excited states of $^{182}$Ir~? \\end{itemize} In $^{183}$Pt, the 35.0 keV M3 isomeric transition has been clearly observed and the reduced transition probability has been determined. The deduced hindrance factor is close to that observed in the neighbouring odd-odd $^{184}$Au nucleus. This confirms the neutron configurations previously proposed for the ...

  15. Electron Momentum Spectroscopy of Ethanethiol Complete Valence Shell

    Institute of Scientific and Technical Information of China (English)

    Xin-xia Xue; Mi Yan; Fang Wu; Xu Shan; Ke-zun Xu; Xiang-jun Chen

    2008-01-01

    The binding energy spectra and electron momentum distributions for the complete valence orbitals of ethanethiol were measured for the first time by binary (e, 2e) electron momentum spectroscopy employing non-coplanar symmetric kinematics at an impact energy of 1200 eV plus binding energy. The experimental results are generally consistent with the theoretical calculations using density functional theory and Hartree-Fock methods with various basis sets. A possible satellite line at 17.8 eV in binding energy spectrum was observed and studied by electron momentum spectroscopy.

  16. Molecular double core-hole electron spectroscopy for chemical analysis

    CERN Document Server

    Tashiro, Motomichi; Fukuzawa, Hironobu; Ueda, Kiyoshi; Buth, Christian; Kryzhevoi, Nikolai V; Cederbaum, Lorenz S

    2010-01-01

    We explore the potential of double core hole electron spectroscopy for chemical analysis in terms of x-ray two-photon photoelectron spectroscopy (XTPPS). The creation of deep single and double core vacancies induces significant reorganization of valence electrons. The corresponding relaxation energies and the interatomic relaxation energies are evaluated by CASSCF calculations. We propose a method how to experimentally extract these quantities by the measurement of single and double core-hole ionization potentials (IPs and DIPs). The influence of the chemical environment on these DIPs is also discussed for states with two holes at the same atomic site and states with two holes at two different atomic sites. Electron density difference between the ground and double core-hole states clearly shows the relaxations accompanying the double core-hole ionization. The effect is also compared with the sensitivity of single core hole ionization potentials (IPs) arising in single core hole electron spectroscopy. We have ...

  17. Single electron detection and spectroscopy via relativistic cyclotron radiation

    CERN Document Server

    Asner, D M; de Viveiros, L; Doe, P J; Fernandes, J L; Fertl, M; Finn, E C; Formaggio, J A; Furse, D; Jones, A M; Kofron, J N; LaRoque, B H; Leber, M; McBride, E L; Miller, M L; Mohanmurthy, P; Monreal, B; Oblath, N S; Robertson, R G H; Rosenberg, L J; Rybka, G; Rysewyk, D; Sternberg, M G; Tedeschi, J R; Thummler, T; VanDevender, B A; Woods, N L

    2014-01-01

    It has been understood since 1897 that accelerating charges must emit electromagnetic radiation. Cyclotron radiation, the particular form of radiation emitted by an electron orbiting in a magnetic field, was first derived in 1904. Despite the simplicity of this concept, and the enormous utility of electron spectroscopy in nuclear and particle physics, single-electron cyclotron radiation has never been observed directly. Here we demonstrate single-electron detection in a novel radiofrequency spec- trometer. We observe the cyclotron radiation emitted by individual magnetically-trapped electrons that are produced with mildly-relativistic energies by a gaseous radioactive source. The relativistic shift in the cyclotron frequency permits a precise electron energy measurement. Precise beta elec- tron spectroscopy from gaseous radiation sources is a key technique in modern efforts to measure the neutrino mass via the tritium decay endpoint, and this work demonstrates a fundamentally new approach to precision beta sp...

  18. Single-shot gradient-assisted photon echo electronic spectroscopy.

    Science.gov (United States)

    Harel, Elad; Fidler, Andrew F; Engel, Gregory S

    2011-04-28

    Two-dimensional electronic spectroscopy (2D ES) maps the electronic structure of complex systems on a femtosecond time scale. While analogous to multidimensional NMR spectroscopy, 2D optical spectroscopy differs significantly in its implementation. Yet, 2D Fourier spectroscopies still require point-by-point sampling of the time delay between two pulses responsible for creating quantum coherence among states. Unlike NMR, achieving the requisite phase stability at optical frequencies between these pulse pairs remains experimentally challenging. Nonetheless, 2D optical spectroscopy has been successfully demonstrated by combining passive and active phase stabilization along with precise control of optical delays and long-term temperature stability, although the widespread adoption of 2D ES has been significantly hampered by these technical challenges. Here, we exploit an analogy to magnetic resonance imaging (MRI) to demonstrate a single-shot method capable of acquiring the entire 2D spectrum in a single laser shot using only conventional optics. Unlike point-by-point sampling protocols typically used to record 2D spectra, this method, which we call GRadient-Assisted Photon Echo (GRAPE) spectroscopy, largely eliminates phase errors while reducing the acquisition time by orders of magnitude. By incorporating a spatiotemporal encoding of the nonlinear polarization along the excitation frequency axis of the 2D spectrum, GRAPE spectroscopy achieves no loss in signal while simultaneously reducing overall noise. Here, we describe the principles of GRAPE spectroscopy and discuss associated experimental considerations.

  19. Electron spectrometer for “in-beam” spectroscopy

    Science.gov (United States)

    Andrzejewski, J.; Król, A.; Perkowski, J.; Sobczak, K.; Wojtkiewicz, R.; Kisieliński, M.; Kowalczyk, M.; Kownacki, J.; Korman, A.

    2008-02-01

    A spectrometer that uses a set of silicon detectors and a combination of two magnetic fields for separation and for transportation of electrons from the target position to the silicon detectors has been constructed at the University of Lodz for "in-beam" studies of internal conversion electrons. The separation of electrons from positrons is achieved in a simplified mini-orange set-up. The transportation field is produced by a set of permanent magnets arranged in a form of coaxial rings. The background from delta electrons and gamma rays is highly reduced. The spectrometer was designed to be coupled to OSIRIS-II, the array of gamma-ray detectors at the Warsaw Heavy Ion Laboratory. The performance of the spectrometer is illustrated by examples of spectra obtained from the conversion electron spectrometer and also the OSIRIS-II array, which were recorded in- and off- beam.

  20. Secondary-electron cascade in attosecond photoelectron spectroscopy from metals

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Madsen, Lars Bojer

    2009-01-01

    Attosecond spectroscopy is currently restricted to photon energies around 100 eV. We show that under these conditions, electron-electron scatterings, as the photoelectrons leave the metal, give rise to a tail of secondary electrons with lower energies and hence a significant background. We develop...... an analytical model based on an approximate solution to Boltzmann's transport equation to account for the amount and energy distribution of these secondary electrons. Our theory is in good agreement with the electron spectrum found in a recent attosecond streaking experiment. To suppress the background and gain...

  1. Muon-Electron Conversion in a Family Gauge Boson Model

    CERN Document Server

    Koide, Yoshio

    2016-01-01

    We study the $\\mu$-$e$ conversion in muonic atoms via an exchange of family gauge boson (FGB) $A_{2}^{\\ 1}$ in a $U(3)$ FGB model. Within the class of FGB model, we consider three types of family-number assignments for quarks. We evaluate the $\\mu$-$e$ conversion rate for various target nuclei, and find that next generation $\\mu$-$e$ conversion search experiments can cover entire energy scale of the model for all of types of the quark family-number assignments. We show that the conversion rate in the model is so sensitive to up- and down-quark mixing matrices, $U^{u}$ and $U^{d}$, where the CKM matrix is given by $V_\\text{CKM} = U^{u\\dagger} U^d$. Precise measurements of conversion rates for various target nuclei can identify not only the types of quark family-number assignments, but also each quark mixing matrix individually.

  2. Muon-electron conversion in a family gauge boson model

    Science.gov (United States)

    Koide, Yoshio; Yamanaka, Masato

    2016-11-01

    We study the μ-e conversion in muonic atoms via an exchange of family gauge boson (FGB) A21 in a U (3) FGB model. Within the class of FGB model, we consider three types of family-number assignments for quarks. We evaluate the μ-e conversion rate for various target nuclei, and find that next generation μ-e conversion search experiments can cover entire energy scale of the model for all of types of the quark family-number assignments. We show that the conversion rate in the model is so sensitive to up- and down-quark mixing matrices, Uu and Ud, where the CKM matrix is given by VCKM =Uu†Ud. Precise measurements of conversion rates for various target nuclei can identify not only the types of quark family-number assignments, but also each quark mixing matrix individually.

  3. Spectral lineshapes in nonlinear electronic spectroscopy.

    Science.gov (United States)

    Nenov, Artur; Giussani, Angelo; Fingerhut, Benjamin P; Rivalta, Ivan; Dumont, Elise; Mukamel, Shaul; Garavelli, Marco

    2015-12-14

    We outline a computational approach for nonlinear electronic spectra, which accounts for the electronic energy fluctuations due to nuclear degrees of freedom and explicitly incorporates the fluctuations of higher excited states, induced by the dynamics in the photoactive state(s). This approach is based on mixed quantum-classical dynamics simulations. Tedious averaging over multiple trajectories is avoided by employing the linearly displaced Brownian harmonic oscillator to model the correlation functions. The present strategy couples accurate computations of the high-lying excited state manifold with dynamics simulations. The application is made to the two-dimensional electronic spectra of pyrene, a polycyclic aromatic hydrocarbon characterized by an ultrafast (few tens of femtoseconds) decay from the bright S2 state to the dark S1 state. The spectra for waiting times t2 = 0 and t2 = 1 ps demonstrate the ability of this approach to model electronic state fluctuations and realistic lineshapes. Comparison with experimental spectra [Krebs et al., New Journal of Physics, 2013, 15, 085016] shows excellent agreement and allows us to unambiguously assign the excited state absorption features.

  4. Vibrational and optical spectroscopies integrated with environmental transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Picher, Matthieu; Mazzucco, Stefano [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, MD 20899-6203 (United States); Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, MD 20740 (United States); Blankenship, Steve [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, MD 20899-6203 (United States); Sharma, Renu, E-mail: renu.sharma@nist.gov [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, MD 20899-6203 (United States)

    2015-03-15

    Here, we present a measurement platform for collecting multiple types of spectroscopy data during high-resolution environmental transmission electron microscopy observations of dynamic processes. Such coupled measurements are made possible by a broadband, high-efficiency, free-space optical system. The critical element of the system is a parabolic mirror, inserted using an independent hollow rod and placed below the sample holder which can focus a light on the sample and/or collect the optical response. We demonstrate the versatility of this optical setup by using it to combine in situ atomic-scale electron microscopy observations with Raman spectroscopy. The Raman data is also used to measure the local temperature of the observed sample area. Other applications include, but are not limited to: cathodo- and photoluminescence spectroscopy, and use of the laser as a local, high-rate heating source. - Highlights: • Broadband, high-efficiency design adaptable to other electron microscopes. • Raman spectroscopy integrated with environmental transmission electron microscopy. • Raman spectra peak frequency shifts enable measurement of local sample temperature. • Multiple types of optical spectroscopy enabled, e.g. cathodoluminescence.

  5. Valence space electron momentum spectroscopy of diborane

    Energy Technology Data Exchange (ETDEWEB)

    Wang Feng [Centre for Molecular Simulation, Swinburne University of Technology, P.O. Box 218, Hawthorn, Melbourne, Vic. 3122 (Australia)]. E-mail: fwang@swin.edu.au; Pang Wenning [Department of Physics, Polarization Physics Laboratory, Tsinghua University, Beijing 100084 (China); Huang Ming [Department of Physics, Polarization Physics Laboratory, Tsinghua University, Beijing 100084 (China)

    2006-05-15

    A non-classical mechanism of binding in diborane (B{sub 2} H{sub 6}) is derived quantum-mechanically (B3LYP/6-311++G**) using a dual-space analysis. High-resolution binding-energy spectra of diborane, generated using an outer-valence Green's-function and density-functional theory with a statistical average of model orbital potentials (SAOP), agree satisfactorily with experiment. Electron-correlation energies of diborane produce orbital-based variations in ionization energy in the valence space, but with negligible impact on the shape of only a{sub g} symmetry orbitals as indicated in momentum space. The present work indicates quantitatively that (a) the pair of three-centre banana-shaped B-H{sub b}-B bonds are more accurately described as one diamond-shaped bond with B-H{sub b}-B-H{sub b}, (b) all bonds in diborane are electron-deficient including the four equivalent B-H{sub t} bonds, (c) there is no pure B?B bond but contributions from all valence orbitals form an unconventional electron-deficient B-B bond, and (d) only two innermost valence orbitals - 2a{sub g} and 2b{sub 1u} - are sp{sup 2}-hybridized and no evidence indicates other valence orbitals of diborane to be hybridized.

  6. Spectroscopy of nonequilibrium electrons and phonons

    CERN Document Server

    Shank, CV

    1992-01-01

    The physics of nonequilibrium electrons and phonons in semiconductors is an important branch of fundamental physics that has many practical applications, especially in the development of ultrafast and ultrasmall semiconductor devices. This volume is devoted to different trends in the field which are presently at the forefront of research. Special attention is paid to the ultrafast relaxation processes in bulk semiconductors and two-dimensional semiconductor structures, and to their study by different spectroscopic methods, both pulsed and steady-state. The evolution of energy and space distrib

  7. Modulation scheme for electron-electron double resonance spectroscopy

    Science.gov (United States)

    Mehlkopf, A. F.; Kuiper, F. G.; Smidt, J.; Tiggelman, T. A.

    1983-06-01

    A modulation scheme for electron-electron double resonance (ELDOR) spectrometers is presented. With this scheme an optimum stabilization signal for locking the pump microwave generator to the pumped electron paramagnetic resonance (EPR) line is generated. A separate pump power level and a separate magnetic field modulation amplitude are used for the purpose of locking. In general, such a modulation scheme introduces false ELDOR lines. These false lines disturb the real ELDOR signals, or introduce an ELDOR signal in the absence of any communication between the observed EPR line and the pumped EPR line. With the described modulation scheme the frequencies of the false ELDOR signals are limited to even multiples of the frequency of the wanted ELDOR signals. This makes a suppression of the false ELDOR lines easy.

  8. Rotationally resolved electronic spectroscopy of 5-methoxyindole.

    Science.gov (United States)

    Brand, Christian; Oeltermann, Olivia; Pratt, David; Weinkauf, Rainer; Meerts, W Leo; van der Zande, Wim; Kleinermanns, Karl; Schmitt, Michael

    2010-07-14

    Rotationally resolved electronic spectra of the vibrationless origin and of eight vibronic bands of 5-methoxyindole (5MOI) have been measured and analyzed using an evolutionary strategy approach. The experimental results are compared to the results of ab initio calculations. All vibronic bands can be explained by absorption of a single conformer, which unambiguously has been shown to be the anti-conformer from its rotational constants and excitation energy. For both anti- and syn-conformers, a (1)L(a)/(1)L(b) gap larger than 4000 cm(-1) is calculated, making the vibronic coupling between both states very small, thereby explaining why the spectrum of 5MOI is very different from that of the parent molecule, indole.

  9. Scanning tunneling spectroscopy on electron-boson interactions in superconductors

    CERN Document Server

    Schackert, Michael Peter

    2015-01-01

    This work describes the experimental study of electron-boson interactions in superconductors by means of inelastic electron tunneling spectroscopy performed with a scanning tunneling microscope (STM) at temperatures below 1 K. This new approach allows the direct measurement of the Eliashberg function of conventional superconductors as demonstrated on lead (Pb) and niobium (Nb). Preparative experiments on unconventional iron-pnictides are presented in the end.

  10. Introduction to Spin Label Electron Paramagnetic Resonance Spectroscopy of Proteins

    Science.gov (United States)

    Melanson, Michelle; Sood, Abha; Torok, Fanni; Torok, Marianna

    2013-01-01

    An undergraduate laboratory exercise is described to demonstrate the biochemical applications of electron paramagnetic resonance (EPR) spectroscopy. The beta93 cysteine residue of hemoglobin is labeled by the covalent binding of 3-maleimido-proxyl (5-MSL) and 2,2,5,5-tetramethyl-1-oxyl-3-methyl methanethiosulfonate (MTSL), respectively. The excess…

  11. Introduction to Spin Label Electron Paramagnetic Resonance Spectroscopy of Proteins

    Science.gov (United States)

    Melanson, Michelle; Sood, Abha; Torok, Fanni; Torok, Marianna

    2013-01-01

    An undergraduate laboratory exercise is described to demonstrate the biochemical applications of electron paramagnetic resonance (EPR) spectroscopy. The beta93 cysteine residue of hemoglobin is labeled by the covalent binding of 3-maleimido-proxyl (5-MSL) and 2,2,5,5-tetramethyl-1-oxyl-3-methyl methanethiosulfonate (MTSL), respectively. The excess…

  12. Probing Plasmonic Nanostructures with Electron Energy - Loss Spectroscopy

    DEFF Research Database (Denmark)

    Raza, Søren

    for nonlocal response. The experimental work comprises the use of electron energy-loss spectroscopy (EELS) to excite and study both localized and propagating surface plasmons in metal structures. Following a short introduction, we present the theoretical foundation to describe nonlocal response in Maxwell...

  13. Electron Spectroscopy: Ultraviolet and X-Ray Excitation.

    Science.gov (United States)

    Baker, A. D.; And Others

    1980-01-01

    Reviews recent growth in electron spectroscopy (54 papers cited). Emphasizes advances in instrumentation and interpretation (52); photoionization, cross-sections and angular distributions (22); studies of atoms and small molecules (35); transition, lanthanide and actinide metal complexes (50); organometallic (12) and inorganic compounds (2);…

  14. Electron energy-loss spectroscopy of branched gap plasmon resonators

    DEFF Research Database (Denmark)

    Raza, Søren; Esfandyarpour, Majid; Koh, Ai Leen

    2016-01-01

    The miniaturization of integrated optical circuits below the diffraction limit for high-speed manipulation of information is one of the cornerstones in plasmonics research. By coupling to surface plasmons supported on nanostructured metallic surfaces, light can be confined to the nanoscale...... microscope combined with electron energy-loss spectroscopy, we experimentally show the propagation, bending and splitting of slot gap plasmons....

  15. Femtosecond broadband fluorescence spectroscopy by down- and up-conversion in β-barium borate crystals

    Science.gov (United States)

    Sajadi, M.; Quick, M.; Ernsting, N. P.

    2013-10-01

    Broadband transient fluorescence spectroscopy is performed by difference- and sum-frequency generation in β-barium borate crystals at a fixed geometry. Phase matching is spectrally broadened by using (i) 1340 nm gate pulses, (ii) a fluorescence angle of ˜4° extended at the crystal, and (iii) angular dispersion of the fluorescence in a calcite prism. The latter provides 1° angular separation between the two spectral wings of the fluorescence. By combining down- and up-conversion processes, a 26 000 cm-1 wide multiplex window is realized with ˜100 fs time resolution.

  16. Terahertz electromodulation spectroscopy of electron transport in GaN

    Science.gov (United States)

    Engelbrecht, S. G.; Arend, T. R.; Zhu, T.; Kappers, M. J.; Kersting, R.

    2015-03-01

    Time-resolved terahertz (THz) electromodulation spectroscopy is applied to investigate the high-frequency transport of electrons in gallium nitride at different doping concentrations and densities of threading dislocations. At THz frequencies, all structures reveal Drude transport. The analysis of the spectral response provides the fundamental transport properties, such as the electron scattering time and the electrons' conductivity effective mass. We observe the expected impact of ionized-impurity scattering and that scattering at threading dislocations only marginally affects the high-frequency mobility.

  17. Terahertz electromodulation spectroscopy of electron transport in GaN

    Energy Technology Data Exchange (ETDEWEB)

    Engelbrecht, S. G.; Arend, T. R.; Kersting, R., E-mail: roland.kersting@lmu.de [Photonics and Optoelectronics Group, Physics Department and Center for NanoScience (CeNS), Ludwig-Maximilians-Universität, Amalienstr. 54, 80799 München (Germany); Zhu, T.; Kappers, M. J. [Department of Materials Science and Metallurgy, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

    2015-03-02

    Time-resolved terahertz (THz) electromodulation spectroscopy is applied to investigate the high-frequency transport of electrons in gallium nitride at different doping concentrations and densities of threading dislocations. At THz frequencies, all structures reveal Drude transport. The analysis of the spectral response provides the fundamental transport properties, such as the electron scattering time and the electrons' conductivity effective mass. We observe the expected impact of ionized-impurity scattering and that scattering at threading dislocations only marginally affects the high-frequency mobility.

  18. Examining Electron-Boson Coupling Using Time-Resolved Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sentef, Michael; Kemper, Alexander F.; Moritz, Brian; Freericks, James K.; Shen, Zhi-Xun; Devereaux, Thomas P.

    2013-12-26

    Nonequilibrium pump-probe time-domain spectroscopies can become an important tool to disentangle degrees of freedom whose coupling leads to broad structures in the frequency domain. Here, using the time-resolved solution of a model photoexcited electron-phonon system, we show that the relaxational dynamics are directly governed by the equilibrium self-energy so that the phonon frequency sets a window for “slow” versus “fast” recovery. The overall temporal structure of this relaxation spectroscopy allows for a reliable and quantitative extraction of the electron-phonon coupling strength without requiring an effective temperature model or making strong assumptions about the underlying bare electronic band dispersion.

  19. In-line determination of the conversion in acrylate coatings after UV curing using near-infrared reflection spectroscopy

    Science.gov (United States)

    Scherzer, Tom; Müller, Sabine; Mehnert, Reiner; Volland, Arne; Lucht, Hartmut

    2005-07-01

    Near-infrared (NIR) reflection spectroscopy was used to determine the conversion of acrylic double bonds after UV photopolymerization. Quantitative analysis of the spectra was performed with chemometric methods using FTIR spectroscopy for calibration. Moreover, it was shown that the calibration of the PLS algorithm can also be performed directly to specific properties of the coatings such as their hardness which responds extremely sensitively even to small changes of the conversion. In-line monitoring of the conversion by NIR spectroscopy was carried out for acrylate coatings with a thickness of some micrometers applied to polymer foils and panels and for thick layers of UV-curable adhesives on the basis of acrylic hot-melts. The effect of changes of the irradiation dose, the emission spectrum of the UV source and other parameters on the conversion was studied.

  20. Electron spectroscopy of carbon materials: experiment and theory

    Energy Technology Data Exchange (ETDEWEB)

    El-Barbary, A A [University of Sussex, School of Life Sciences, Falmer, Brighton, BN1 9QJ (United Kingdom); University of Ain-Shams, Faculty of Education, Department of Physics, Cairo (Egypt); Trasobares, S [Laboratoire de physique des Solides Batiment 510, Universite Paris Sud 91405, Orsay (France); Departamento de Ciencia de los Materiales Ingenieria Metalurgica Quimica Inorganica, Universidad de Cadiz, Apdo 40 Puerto Real, 11510-Cadiz (Spain); Ewels, C P [University of Sussex, School of Life Sciences, Falmer, Brighton, BN1 9QJ (United Kingdom); Stephan, O [Laboratoire de physique des Solides Batiment 510, Universite Paris Sud 91405, Orsay (France); Okotrub, A V [Nikolaev Institute of Inorganic Chemistry SB RAS, pr. Ak. Lavrentieva 3 (Russian Federation); Bulusheva, L G [Nikolaev Institute of Inorganic Chemistry SB RAS, pr. Ak. Lavrentieva 3 (Russian Federation); Fall, C J [ELCA Informatique SA, Avenue de la Harpe 22-24, CH-1000 Lausanne 13 (Switzerland); Heggie, M I [University of Sussex, School of Life Sciences, Falmer, Brighton, BN1 9QJ (United Kingdom)

    2006-02-22

    We present a comparative spectroscopic study of carbon as graphite, diamond and C{sub 60} using C1s K-edge electron energy-loss spectroscopy (EELS), X-ray emission spectroscopy, and theoretical modelling. The first principles calculations of these spectra are obtained in the local density approximation using a self-consistent Gaussian basis pseudo-potential method. Calculated spectra show excellent agreement with experiment and are able to discriminate not only between various carbon hybridisations but also local variation in environment. Core-hole effects on the calculated spectra are also investigated. For the first time, the EEL spectrum of carbyne is calculated.

  1. Communication: Investigation of the electron momentum density distribution of nanodiamonds by electron energy-loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Zhenbao; Yang, Bing; Lin, Yangming; Su, Dangsheng, E-mail: dssu@imr.ac.cn [Shenyang National Laboratory of Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Wenhua Road 72, Shenyang 110016 (China)

    2015-12-07

    The electron momentum distribution of detonation nanodiamonds (DND) was investigated by recording electron energy-loss spectra at large momentum transfer in the transmission electron microscope (TEM), which is known as electron Compton scattering from solid (ECOSS). Compton profile of diamond film obtained by ECOSS was found in good agreement with prior photon experimental measurement and theoretical calculation that for bulk diamond. Compared to the diamond film, the valence Compton profile of DND was found to be narrower, which indicates a more delocalization of the ground-state charge density for the latter. Combining with other TEM characterizations such as high-resolution transmission electron spectroscopy, diffraction, and energy dispersive X-ray spectroscopy measurements, ECOSS was shown to be a great potential technique to study ground-state electronic properties of nanomaterials.

  2. The future of electronic power processing and conversion

    DEFF Research Database (Denmark)

    Blaabjerg, Frede; Consoli, A.; Ferreira, J.A.

    2005-01-01

    . - A large penetration of power electronics into power systems will happen within the next 25-30 years. The main transmission grid will not be affected. The power electronics development will be in distributed generation and in the loads. - The success of the integrated starter/generator, hybrid or electric...... cars depends on political decisions more than on technological advances. However, the success of a recent Japanese hybrid car and the cost of oil could trigger the critical momentum for large-scale use of power electronics in automotive applications. - We are moving toward standardized power supply...

  3. The future of electronic power processing and conversion

    DEFF Research Database (Denmark)

    Blaabjerg, Frede; Consoli, A.; Ferreira, J.A.

    2005-01-01

    building blocks for computers and other applications. The main push is for lower cost, and production technology becomes the important issue. - Demands for improved performance in a diversity of applications will stimulate R&D in power electronics in future. Intelligent control and energy management......At a workshop held on the Aeolian Islands in Sicily during May 2004 a group of academic and industry engineers from all over the world discussed the medium-and long-term future of power electronics and its applications in specific areas. The following main issues were identified and discussed....... - The demand is not for power electronic solutions but for system integration of electronic power processing. A more multidisciplinary approach is needed. - We will witness a proliferation of energy storage in systems. The technology is in place and the improvement in system performance makes it worthwhile...

  4. Studying the Stereochemistry of Naproxen Using Rotationally Resolved Electronic Spectroscopy.

    Science.gov (United States)

    Young, Justin W.; Alvarez-Valtierra, Leonardo; Pratt, David W.

    2009-06-01

    Many biochemical processes are stereospecific. An example is the physiological response to a drug that depends on its enantiomeric form. Naproxen is a drug which shows this stereo-specific physiological response. To better understand the stereo specificity of chiral substances, we observed the S_1←S_0 transitions of R- and S-naproxen in the gas phase using rotationally resolved electronic spectroscopy. The results will be discussed.

  5. Terahertz electromodulation spectroscopy of electron transport in GaN

    OpenAIRE

    Engelbrecht, S. G.; Arend, T. R.; Zhu, T.; M. J. Kappers; Kersting, R.

    2015-01-01

    This is the accepted manuscript. The final version is available at http://scitation.aip.org/content/aip/journal/apl/106/9/10.1063/1.4914326. Time-resolved terahertz (THz) electromodulation spectroscopy is applied to investigate the high-frequency transport of electrons in gallium nitride at different doping concentrations and densities of threading dislocations. At THz frequencies, all structures reveal Drude transport. The analysis of the spectral response provides the fundamenta...

  6. Molecular shock response of explosives: electronic absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mcgrne, Shawn D [Los Alamos National Laboratory; Moore, David S [Los Alamos National Laboratory; Whitley, Von H [Los Alamos National Laboratory; Bolme, Cindy A [Los Alamos National Laboratory; Eakins, Daniel E [Los Alamos National Laboratory

    2009-01-01

    Electronic absorption spectroscopy in the range 400-800 nm was coupled to ultrafast laser generated shocks to begin addressing the question of the extent to which electronic excitations are involved in shock induced reactions. Data are presented on shocked polymethylmethacrylate (PMMA) thin films and single crystal pentaerythritol tetranitrate (PETN). Shocked PMMA exhibited thin film interference effects from the shock front. Shocked PETN exhibited interference from the shock front as well as broadband increased absorption. Relation to shock initiation hypotheses and the need for time dependent absorption data (future experiments) is briefly discussed.

  7. Probing Battery Chemistry with Liquid Cell Electron Energy Loss Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Unocic, Raymond R.; Baggetto, Loic; Veith, Gabriel M.; Aguiar, Jeffery A.; Unocic, Kinga A.; Sacci, Robert L.; Dudney, Nancy J.; More, Karren L.

    2015-11-25

    We demonstrate the ability to apply electron energy loss spectroscopy (EELS) to follow the chemistry and oxidation states of LiMn2O4 and Li4Ti5O12 battery electrodes within a battery solvent. The use and importance of in situ electrochemical cells coupled with a scanning/transmission electron microscope (S/TEM) has expanded and been applied to follow changes in battery chemistry during electrochemical cycling. Furthermore, we discuss experimental parameters that influence measurement sensitivity and provide a framework to apply this important analytical method to future in situ electrochemical studies.

  8. In Situ Electron Energy Loss Spectroscopy in Liquids

    CERN Document Server

    Holtz, Megan E; Gao, Jie; Abruña, Héctor D; Muller, David A

    2012-01-01

    In situ scanning transmission electron microscopy (STEM) through liquids is a promising approach for exploring biological and materials processes. However, options for in situ chemical identification are limited: X-ray analysis is precluded because the holder shadows the detector, and electron energy loss spectroscopy (EELS) is degraded by multiple scattering events in thick layers. Here, we explore the limits of EELS for studying chemical reactions in their native environments in real time and on the nanometer scale. The determination of the local electron density, optical gap and thickness of the liquid layer by valence EELS is demonstrated for liquids. By comparing theoretical and experimental plasmon energies, we find that liquids appear to follow the free-electron model that has been previously established for solids. Signals at energies below the optical gap and plasmon energy of the liquid provide a high signal-to-background ratio as demonstrated for LiFePO4 in aqueous solution. The potential for using...

  9. Ultrabroadband two-quantum two-dimensional electronic spectroscopy

    Science.gov (United States)

    Gellen, Tobias A.; Bizimana, Laurie A.; Carbery, William P.; Breen, Ilana; Turner, Daniel B.

    2016-08-01

    A recent theoretical study proposed that two-quantum (2Q) two-dimensional (2D) electronic spectroscopy should be a background-free probe of post-Hartree-Fock electronic correlations. Testing this theoretical prediction requires an instrument capable of not only detecting multiple transitions among molecular excited states but also distinguishing molecular 2Q signals from nonresonant response. Herein we describe a 2Q 2D spectrometer with a spectral range of 300 nm that is passively phase stable and uses only beamsplitters and mirrors. We developed and implemented a dual-chopping balanced-detection method to resolve the weak molecular 2Q signals. Experiments performed on cresyl violet perchlorate and rhodamine 6G revealed distinct 2Q signals convolved with nonresonant response. Density functional theory computations helped reveal the molecular origin of these signals. The experimental and computational results demonstrate that 2Q electronic spectra can provide a singular probe of highly excited electronic states.

  10. Electrochemical and conversion electron Moessbauer study of corrosion induced by acid rain

    Energy Technology Data Exchange (ETDEWEB)

    Vertes, C.; Lakatos-Varsanyi, M.; Vertes, A. (Dept. of Physical Chemistry and of Nuclear Chemistry, Eoetvoes Univ., Budapest (Hungary)); Meisel, W.; Guetlich, P. (Inst. of Inorganic Chemistry and Analytical Chemistry, Univ. Mainz (Germany))

    1993-04-01

    The passivation of low carbon steel was studied in aqueous solution of 0.5M Na[sub 2]SO[sub 4]+0.001M NaHSO[sub 3] (pH 3.5, 6.5 and 8.5) which can be considered as a model of acid rain. The used conversion electron Moessbauer spectroscopy (CEMS) with the complementary electrochemical investigations proved that the sulfite ions induce pitting corrosion at pH 3.5 and 6.5, while the measurements showed much weaker pitting at pH 8.5. The compositions and thicknesses of the passive films formed during the electrochemical treatments are determined from the CEM spectra. Only [gamma]-FeOOH was found on the surface of the samples at pH 6.5 and 8.5. Nevertheless, at pH 3.5 the sextet belonging to Fe[sub 3]C appears in the spectra, and also FeSO[sub 4].H[sub 2]O could be detected in low concentration. (orig.).

  11. Simulating electron energy loss spectroscopy with the MNPBEM toolbox

    Science.gov (United States)

    Hohenester, Ulrich

    2014-03-01

    Within the MNPBEM toolbox, we show how to simulate electron energy loss spectroscopy (EELS) of plasmonic nanoparticles using a boundary element method approach. The methodology underlying our approach closely follows the concepts developed by García de Abajo and coworkers (Garcia de Abajo, 2010). We introduce two classes eelsret and eelsstat that allow in combination with our recently developed MNPBEM toolbox for a simple, robust, and efficient computation of EEL spectra and maps. The classes are accompanied by a number of demo programs for EELS simulation of metallic nanospheres, nanodisks, and nanotriangles, and for electron trajectories passing by or penetrating through the metallic nanoparticles. We also discuss how to compute electric fields induced by the electron beam and cathodoluminescence. Catalogue identifier: AEKJ_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKJ_v2_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.: 38886 No. of bytes in distributed program, including test data, etc.: 1222650 Distribution format: tar.gz Programming language: Matlab 7.11.0 (R2010b). Computer: Any which supports Matlab 7.11.0 (R2010b). Operating system: Any which supports Matlab 7.11.0 (R2010b). RAM:≥1 GB Classification: 18. Catalogue identifier of previous version: AEKJ_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183 (2012) 370 External routines: MESH2D available at www.mathworks.com Does the new version supersede the previous version?: Yes Nature of problem: Simulation of electron energy loss spectroscopy (EELS) for plasmonic nanoparticles. Solution method: Boundary element method using electromagnetic potentials. Reasons for new version: The new version of the toolbox includes two additional classes for the simulation of electron energy

  12. Electron energy-loss spectroscopy of branched gap plasmon resonators

    Science.gov (United States)

    Raza, Søren; Esfandyarpour, Majid; Koh, Ai Leen; Mortensen, N. Asger; Brongersma, Mark L.; Bozhevolnyi, Sergey I.

    2016-12-01

    The miniaturization of integrated optical circuits below the diffraction limit for high-speed manipulation of information is one of the cornerstones in plasmonics research. By coupling to surface plasmons supported on nanostructured metallic surfaces, light can be confined to the nanoscale, enabling the potential interface to electronic circuits. In particular, gap surface plasmons propagating in an air gap sandwiched between metal layers have shown extraordinary mode confinement with significant propagation length. In this work, we unveil the optical properties of gap surface plasmons in silver nanoslot structures with widths of only 25 nm. We fabricate linear, branched and cross-shaped nanoslot waveguide components, which all support resonances due to interference of counter-propagating gap plasmons. By exploiting the superior spatial resolution of a scanning transmission electron microscope combined with electron energy-loss spectroscopy, we experimentally show the propagation, bending and splitting of slot gap plasmons.

  13. Probing Nanoscale Electronic and Magnetic Interaction with Scanning Tunneling Spectroscopy

    DEFF Research Database (Denmark)

    Bork, Jakob

    This thesis is concerned with fundamental research into electronic and magnetic interaction on the nanoscale. From small metallic and magnetic islands and layers to single atoms. The research revolves around magnetic interaction probed through the spectroscopic capabilities of the scanning....... This is related to research in correlated electron materials such as studies of phase transitions in heavy fermion compounds and magnetic interaction in spintronic research. The capping of cobalt islands on Cu(111) with silver is investigated with STM and photoemission spectroscopy. It is shown that at low...... coverage the silver preferably nucleates on top of the bilayer high cobalt islands compared to directly on the Cu(111) substrate. Furthermore, the silver forms a combination of a reconstruction and a Moire pattern which is investigated with low-energy electron diraction and spectroscopic STM mapping at 6...

  14. Positron annihilation lifetime spectroscopy at a superconducting electron accelerator

    Science.gov (United States)

    Wagner, A.; Anwand, W.; Attallah, A. G.; Dornberg, G.; Elsayed, M.; Enke, D.; Hussein, A. E. M.; Krause-Rehberg, R.; Liedke, M. O.; Potzger, K.; Trinh, T. T.

    2017-01-01

    The Helmholtz-Zentrum Dresden-Rossendorf operates a superconducting linear accelerator for electrons with energies up to 35 MeV and average beam currents up to 1.6 mA. The electron beam is employed for production of several secondary beams including X-rays from bremsstrahlung production, neutrons, and positrons. The secondary positron beam after moderation feeds the Monoenergetic Positron Source (MePS) where positron annihilation lifetime (PALS) and positron annihilation Doppler-broadening experiments in materials science are performed in parallel. The adjustable repetition rate of the continuous-wave electron beams allows matching of the pulse separation to the positron lifetime in the sample under study. The energy of the positron beam can be set between 0.5 keV and 20 keV to perform depth resolved defect spectroscopy and porosity studies especially for thin films.

  15. Single-atom electron energy loss spectroscopy of light elements

    Science.gov (United States)

    Senga, Ryosuke; Suenaga, Kazu

    2015-01-01

    Light elements such as alkali metal (lithium, sodium) or halogen (fluorine, chlorine) are present in various substances and indeed play significant roles in our life. Although atomic behaviours of these elements are often a key to resolve chemical or biological activities, they are hardly visible in transmission electron microscope because of their smaller scattering power and higher knock-on probability. Here we propose a concept for detecting light atoms encaged in a nanospace by means of electron energy loss spectroscopy using inelastically scattered electrons. In this method, we demonstrate the single-atom detection of lithium, fluorine, sodium and chlorine with near-atomic precision, which is limited by the incident probe size, signal delocalization and atomic movement in nanospace. Moreover, chemical shifts of lithium K-edge have been successfully identified with various atomic configurations in one-dimensional lithium compounds. PMID:26228378

  16. Single-atom electron energy loss spectroscopy of light elements.

    Science.gov (United States)

    Senga, Ryosuke; Suenaga, Kazu

    2015-07-31

    Light elements such as alkali metal (lithium, sodium) or halogen (fluorine, chlorine) are present in various substances and indeed play significant roles in our life. Although atomic behaviours of these elements are often a key to resolve chemical or biological activities, they are hardly visible in transmission electron microscope because of their smaller scattering power and higher knock-on probability. Here we propose a concept for detecting light atoms encaged in a nanospace by means of electron energy loss spectroscopy using inelastically scattered electrons. In this method, we demonstrate the single-atom detection of lithium, fluorine, sodium and chlorine with near-atomic precision, which is limited by the incident probe size, signal delocalization and atomic movement in nanospace. Moreover, chemical shifts of lithium K-edge have been successfully identified with various atomic configurations in one-dimensional lithium compounds.

  17. Correlating the motion of electrons and nuclei with two-dimensional electronic-vibrational spectroscopy.

    Science.gov (United States)

    Oliver, Thomas A A; Lewis, Nicholas H C; Fleming, Graham R

    2014-07-15

    Multidimensional nonlinear spectroscopy, in the electronic and vibrational regimes, has reached maturity. To date, no experimental technique has combined the advantages of 2D electronic spectroscopy and 2D infrared spectroscopy, monitoring the evolution of the electronic and nuclear degrees of freedom simultaneously. The interplay and coupling between the electronic state and vibrational manifold is fundamental to understanding ensuing nonradiative pathways, especially those that involve conical intersections. We have developed a new experimental technique that is capable of correlating the electronic and vibrational degrees of freedom: 2D electronic-vibrational spectroscopy (2D-EV). We apply this new technique to the study of the 4-(di-cyanomethylene)-2-methyl-6-p-(dimethylamino)styryl-4H-pyran (DCM) laser dye in deuterated dimethyl sulfoxide and its excited state relaxation pathways. From 2D-EV spectra, we elucidate a ballistic mechanism on the excited state potential energy surface whereby molecules are almost instantaneously projected uphill in energy toward a transition state between locally excited and charge-transfer states, as evidenced by a rapid blue shift on the electronic axis of our 2D-EV spectra. The change in minimum energy structure in this excited state nonradiative crossing is evident as the central frequency of a specific vibrational mode changes on a many-picoseconds timescale. The underlying electronic dynamics, which occur on the hundreds of femtoseconds timescale, drive the far slower ensuing nuclear motions on the excited state potential surface, and serve as a excellent illustration for the unprecedented detail that 2D-EV will afford to photochemical reaction dynamics.

  18. 2012 ELECTRONIC SPECTROSCOPY & DYNAMICS GORDON RESEARCH CONFERENCE, JULY 22-27, 2012

    Energy Technology Data Exchange (ETDEWEB)

    Kohler, Bern

    2012-07-27

    Topics covered in this GRC include high-resolution spectroscopy, coherent electronic energy transport in biology, excited state theory and dynamics, excitonics, electronic spectroscopy of cold and ultracold molecules, and the spectroscopy of nanostructures. Several sessions will highlight innovative techniques such as time-resolved x-ray spectroscopy, frequency combs, and liquid microjet photoelectron spectroscopy that have forged stimulating new connections between gas-phase and condensed-phase work.

  19. The principles of electronic and electromechanic power conversion a systems approach

    CERN Document Server

    Ferreira, Braham

    2013-01-01

    Teaching the principles of power electronics and electromechanical power conversion through a unique top down systems approach, The Principles of Electromechanical Power Conversion takes the role and system context of power conversion functions as the starting point. Following this approach, the text defines the building blocks of the system and describes the theory of how they exchange power with each other. The authors introduce a modern, simple approach to machines, which makes the principles of field oriented control and space vector theory approachable to undergraduate students as well as

  20. Electron spectroscopy of selected atmospheric molecules and hydrocarbons

    Science.gov (United States)

    Davies, Julia Ann

    The thesis presents experimental results obtained by electron impact energy-loss spectroscopy. Differential oscillator strengths (DOS) of selected atmospheric molecules and hydrocarbons and vibrational excitation cross sections of ozone are measured. A critical comparison with earlier experiments and theory (where it exists) is made. The thesis is arranged in seven chapters. The first discusses molecular structure, spectroscopy and electron-molecule scattering as is relevant to the scope of this thesis. The next two chapters describe the experimental apparatus used. A high resolution electron spectrometer produces an electron beam (˜10 nA) incident upon the molecular target. Scattered electrons of selected energy-loss and scattering angle are detected by the spectrometer providing a total apparatus resolution of ˜50 meV. The vacuum system, gas inlet system and power supplies are also discussed. Chapters 4, 5 and 6 contain the main results obtained during postgraduate studies. DOS of selected atmospheric molecules (O2, N2, N2O, CO and CO2) are presented and critically compared with previous optical and synchrotron studies. Good agreement between results validates the experimental apparatus and techniques used in this work. A detailed study of the DOS of small alkanes (CH4, C2H6, C3H8 and C4H10) and small alkenes (C2H4, C3H6 and C4H8) shows similarities and trends in these series. DOS of ozone, O3, are also measured and the vibrational excitation of ozone is investigated as a function of scattering angle (40° ≤ theta ≤ 120°) and inccident energy (3 eV

  1. 8th international conference on electronic spectroscopy and structure

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, Art

    2000-10-16

    Gathering from 33 countries around the world, 408 registrants and a number of local drop-in participants descended on the Clark Kerr Campus of the University of California, Berkeley, from Monday, August 7 through Saturday, August 12, 2000 for the Eighth International Conference on Electronic Structure and Spectroscopy (ICESS8). At the conference, participants benefited from an extensive scientific program comprising more than 100 oral presentations (plenary lectures and invited and contributed talks) and 330 poster presentations, as well as ample time for socializing and a tour of the Advanced Light Source (ALS) at the nearby Lawrence Berkeley National Laboratory.

  2. Single-catalyst particle spectroscopy of alcohol-to-olefins conversions : Comparison between SAPO-34 and SSZ-13

    NARCIS (Netherlands)

    Qian, Qingyun; Ruiz-Martinez, Javier; Mokhtar, Mohamed; Asiri, Abdullah M.; Al-Thabaiti, Shaeel A.; Basahel, Suliman N.; Weckhuysen, Bert M.

    2014-01-01

    The formation of distinct hydrocarbon pool (HCP) species on individual micron-sized SAPO-34 and SSZ-13 crystals have been compared during methanol-to-olefins (MTO) and ethanol-to-olefins (ETO) conversion processes. In situ UV-vis micro-spectroscopy reveals the formation of 400 nm and 580 nm absorpti

  3. Investigation of ultrafast dynamics of CdTe quantum dots by femtosecond fluorescence up-conversion spectroscopy

    NARCIS (Netherlands)

    Yao, G.-X.; Lü, L.-H.; Gui, M.-F.; Zhang, X.-Y.; Zheng, X.-F.; Ji, X.-H.; Zhang, H.; Cui, Z.-F.

    2012-01-01

    The ultrafast carrier relaxation processes in CdTe quantum dots are investigated by femtosecond fluorescence up-conversion spectroscopy. Photo-excited hole relaxing to the edge of the forbidden gap takes a maximal time of ~ 1.6 ps with exciting at 400 nm, depending on the state of the photo-excited

  4. Measurement of γ and conversion electron spectra following the decay of 125Sb

    Science.gov (United States)

    Sainath, M.; Venkataramaniah, K.; Sood, P. C.

    1998-12-01

    Relative intensities of γ rays and conversion electron lines in the decay of 125Sb are measured precisely using an HPGe detector and a miniorange electron spectrometer. These data are used to derive the K- and L-shell internal conversion coefficients and to deduce the multipolarities of the respective transitions. A revised level scheme is presented for 125Te incorporating 37 transitions between 13 energy levels up to an excitation energy of 675 keV. The newly established levels at 538 and 653 keV complete the hextuplet corresponding to the (s1/2⊗2+) and (d3/2⊗2+) phonon-coupled configurations.

  5. Muon to electron conversion: The COMET and Mu2e experiments

    CERN Document Server

    Litchfield, R P

    2014-01-01

    I describe the new generation of muon-to-electron conversion experiments, COMET and Mu2e, being constructed to make use of new high power pulsed muon beams a J-PARC and Fermilab respectively. A brief overview of the physics explored by the muon to electron conversion is given, followed by a description of the experimental challenges and resulting features common to the new experiments. The differences in approach between Mu2e and COMET are then highlighted, and the current schedules given.

  6. ELECTRONIC-STRUCTURE OF LA2-XSRXNIO4 STUDIED BY PHOTOEMISSION AND INVERSE-PHOTOEMISSION SPECTROSCOPY

    NARCIS (Netherlands)

    EISAKI, H; UCHIDA, S; MIZOKAWA, T; NAMATAME, H; FUJIMORI, A; VANELP, J; KUIPER, P; SAWATZKY, GA; HOSOYA, S; KATAYAMAYOSHIDA, H

    1992-01-01

    The electronic structure of La2-xSrxNiO4 is studied by use of photoemission spectroscopy, bremsstrahlung-isochromat spectroscopy (BIS), and electron-energy-loss spectroscopy. Quantitative analyses are made on the valence-band and Ni 2p core-level photoemission spectra through configuration-interacti

  7. ELECTRONIC-STRUCTURE OF LA2-XSRXNIO4 STUDIED BY PHOTOEMISSION AND INVERSE-PHOTOEMISSION SPECTROSCOPY

    NARCIS (Netherlands)

    EISAKI, H; UCHIDA, S; MIZOKAWA, T; NAMATAME, H; FUJIMORI, A; VANELP, J; KUIPER, P; SAWATZKY, GA; HOSOYA, S; KATAYAMAYOSHIDA, H

    1992-01-01

    The electronic structure of La2-xSrxNiO4 is studied by use of photoemission spectroscopy, bremsstrahlung-isochromat spectroscopy (BIS), and electron-energy-loss spectroscopy. Quantitative analyses are made on the valence-band and Ni 2p core-level photoemission spectra through

  8. Inexpensive electronics and software for photon statistics and correlation spectroscopy

    Science.gov (United States)

    Gamari, Benjamin D.; Zhang, Dianwen; Buckman, Richard E.; Milas, Peker; Denker, John S.; Chen, Hui; Li, Hongmin; Goldner, Lori S.

    2016-01-01

    Single-molecule-sensitive microscopy and spectroscopy are transforming biophysics and materials science laboratories. Techniques such as fluorescence correlation spectroscopy (FCS) and single-molecule sensitive fluorescence resonance energy transfer (FRET) are now commonly available in research laboratories but are as yet infrequently available in teaching laboratories. We describe inexpensive electronics and open-source software that bridges this gap, making state-of-the-art research capabilities accessible to undergraduates interested in biophysics. We include a discussion of the intensity correlation function relevant to FCS and how it can be determined from photon arrival times. We demonstrate the system with a measurement of the hydrodynamic radius of a protein using FCS that is suitable for the undergraduate teaching laboratory. The FPGA-based electronics, which are easy to construct, are suitable for more advanced measurements as well, and several applications are described. As implemented, the system has 8 ns timing resolution, can control up to four laser sources, and can collect information from as many as four photon-counting detectors. PMID:26924846

  9. Conversion electron spectrometry of Pu isotopes with a silicon drift detector.

    Science.gov (United States)

    Pommé, S; Paepen, J; Peräjärvi, K; Turunen, J; Pöllänen, R

    2016-03-01

    An electron spectrometry set-up was built at IRMM consisting of a vacuum chamber with a moveable source holder and windowless Peltier-cooled silicon drift detector (SDD). The SDD is well suited for measuring low-energy x rays and electrons emitted from thin radioactive sources with low self-absorption. The attainable energy resolution is better than 0.5keV for electrons of 30keV. It has been used to measure the conversion electron spectra of three plutonium isotopes, i.e. (238)Pu, (239)Pu, (240)Pu, as well as (241)Am (being a decay product of (241)Pu). The obtained mixed x-ray and electron spectra are compared with spectra obtained with a close-geometry set-up using another SDD in STUK and spectra measured with a Si(Li) detector at IRMM. The potential of conversion electron spectrometry for isotopic analysis of mixed plutonium samples is investigated. With respect to the (240)Pu/(239)Pu isotopic ratio, the conversion electron peaks of both isotopes are more clearly separated than their largely overlapping peaks in alpha spectra.

  10. Resonant Spin-Flavor Conversion of Supernova Neutrinos: Dependence on Electron Mole Fraction

    CERN Document Server

    Yoshida, T; Kimura, K; Yokomakura, H; Kawagoe, S; Kajino, T

    2009-01-01

    Detailed dependence of resonant spin-flavor (RSF) conversion of supernova neutrinos on electron mole fraction Ye is investigated. Supernova explosion forms a hot-bubble and neutrino-driven wind region of which electron mole fraction exceeds 0.5 in several seconds after the core collapse. When a higher resonance of the RSF conversion is located in the innermost region, flavor change of the neutrinos strongly depends on the sign of 1-2Ye. At an adiabatic high RSF resonance the flavor conversion of bar{nu}_e -> nu_{mu,tau} occurs in Ye 0.5 and inverted mass hierarchy. In other cases of Ye values and mass hierarchies, the conversion of nu_e -> bar{nu}_{mu,tau} occurs. The final bar{nu}_e spectrum is evaluated in the cases of Ye 0.5 taking account of the RSF conversion. Based on the obtained result, time variation of the event number ratios of low bar{nu}_e energy to high bar{nu}_e energy is discussed. In normal mass hierarchy, an enhancement of the event ratio should be seen in the period when the electron frac...

  11. Dose conversion coefficients for high-energy photons, electrons, neutrons and protons

    CERN Document Server

    Sakamoto, Y; Sato, O; Tanaka, S I; Tsuda, S; Yamaguchi, Y; Yoshizawa, N

    2003-01-01

    In the International Commission on Radiological Protection (ICRP) 1990 Recommendations, radiation weighting factors were introduced in the place of quality factors, the tissue weighting factors were revised, and effective doses and equivalent doses of each tissues and organs were defined as the protection quantities. Dose conversion coefficients for photons, electrons and neutrons based on new ICRP recommendations were cited in the ICRP Publication 74, but the energy ranges of theses data were limited and there are no data for high energy radiations produced in accelerator facilities. For the purpose of designing the high intensity proton accelerator facilities at JAERI, the dose evaluation code system of high energy radiations based on the HERMES code was developed and the dose conversion coefficients of effective dose were evaluated for photons, neutrons and protons up to 10 GeV, and electrons up to 100 GeV. The dose conversion coefficients of effective dose equivalent were also evaluated using quality fact...

  12. Simulation and experimental results for the detection of conversion electrons with gas proportional scintillation counters

    CERN Document Server

    Rachinhas, P J B M; Lopes, J A M; Dias, T; Morgado, R E; Santos, J M; Stauffer, A D; Conde, C A N

    2000-01-01

    The application of gas proportional scintillation counters (GPSC) to the detection and identification of conversion electrons in the medium energy range is investigated. Experimental and Monte Carlo results are presented for the response of a xenon GPSC, filled at atmospheric pressure, to the decay of a sup 1 sup 0 sup 9 Cd source. This source emits 88.0 keV gamma-rays, e sub L =84.6 keV and e sub K =62.5 keV conversion electrons, as well as fluorescence X-rays and Auger electrons. Good agreement is found between the measured and the calculated energy spectra. The response to higher-energy electrons is investigated by Monte Carlo simulation, by considering a hypothetical GPSC filled with xenon at 10 atm and doped with the sup 1 sup 3 sup 3 sup m Xe metastable isotope. The calculated energy spectra for the absorption of the sup 1 sup 3 sup 3 sup m Xe 233.2 keV gamma-rays, e sub K =198.6 keV and e sub L =228.4 keV conversion electrons, as well as fluorescence X-rays and Auger electrons, are presented and discus...

  13. Localized bulk electron heating with ICRF mode conversion in the JET tokamak

    DEFF Research Database (Denmark)

    Mantsinen, M.J.; Mayoral, M.-L.; Eester, D. Van

    2004-01-01

    Ion cyclotron resonance frequencies (ICRF) mode conversion has been developed for localized on-axis and off-axis bulk electron heating on the JET tokamak. The fast magnetosonic waves launched from the low-field side ICRF antennas are mode-converted to short-wavelength waves on the high-field side...

  14. Interfacial Electron Transfer and Transient Photoconductivity Studied with Terahertz Spectroscopy

    Science.gov (United States)

    Milot, Rebecca Lee

    Terahertz spectroscopy is distinguished from other far infrared and millimeter wave spectroscopies by its inherent phase sensitivity and sub-picosecond time resolution making it a versatile technique to study a wide range of physical phenomena. As THz spectroscopy is still a relatively new field, many aspects of THz generation mechanisms have not been fully examined. Using terahertz emission spectroscopy (TES), THz emission from ZnTe(110) was analyzed and found to be limited by two-photon absorption and free-carrier generation at high excitation fluences. Due to concerns about the continued use of fossil fuels, solar energy has been widely investigated as a promising source of renewable energy. Dye-sensitized solar cells (DSSCs) have been developed as a low-cost alternative to conventional photovoltaic solar cells. To solve the issues of the intermittency and inefficient transport associated with solar energy, researchers are attempting to adapt DSSCs for water oxidation and chemical fuel production. Both device designs incorporate sensitizer molecules covalently bound to metal oxide nanoparticles. The sensitizer, which is comprised of a chromophore and anchoring group, absorbs light and transfers an electron from its excited state to the conduction band of the metal oxide, producing an electric current. Using time-resolved THz spectroscopy (TRTS), an optical pump/THz probe technique, the efficiency and dynamics of electron injection from sensitizers to metal oxides was evaluated as a function of the chromophore, its anchoring group, and the metal oxide identity. Experiments for studying fully functioning DSSCs and water oxidation devices are also described. Bio-inspired pentafluorophenyl porphyrin chromophores have been designed and synthesized for use in photoelectrochemical water oxidation cells. Influences on the efficiency and dynamics of electron injection from the chromophores into TiO2 and SnO2 nanoparticles due to changes in both the central substituent to

  15. Emission Spectroscopy as a Probe into Photoinduced Intramolecular Electron Transfer in Polyazine Bridged Ru(II,Rh(III Supramolecular Complexes

    Directory of Open Access Journals (Sweden)

    Karen J. Brewer

    2010-08-01

    Full Text Available Steady-state and time-resolved emission spectroscopy are valuable tools to probe photochemical processes of metal-ligand, coordination complexes. Ru(II polyazine light absorbers are efficient light harvesters absorbing in the UV and visible with emissive 3MLCT excited states known to undergo excited state energy and electron transfer. Changes in emission intensity, energy or band-shape, as well as excited state lifetime, provide insight into excited state dynamics. Photophysical processes such as intramolecular electron transfer between electron donor and electron acceptor sub-units may be investigated using these methods. This review investigates the use of steady-state and time-resolved emission spectroscopy to measure excited state intramolecular electron transfer in polyazine bridged Ru(II,Rh(III supramolecular complexes. Intramolecular electron transfer in these systems provides for conversion of the emissive 3MLCT (metal-to-ligand charge transfer excited state to a non-emissive, but potentially photoreactive, 3MMCT (metal-to-metal charge transfer excited state. The details of the photophysics of Ru(II,Rh(III and Ru(II,Rh(III,Ru(II systems as probed by steady-state and time-resolved emission spectroscopy will be highlighted.

  16. Gamma and electron spectroscopy of transfermium isotopes at Dubna: Results and plans

    Indian Academy of Sciences (India)

    A Yeremin; O Malyshev; A Popeko; A Lopez-Martens; K Hauschild; O Dorvaux; S Saro; D Pantelica; S Mullin

    2010-07-01

    Detailed spectroscopic information of excited nuclear states in deformed transfermium nuclei is scarce. Most of the information available today has been obtained from investigations of fine-structure -decay. Although decay gives access to hindrance factors and lifetimes which are strongly correlated to shell/subshell closures and the presence of isomers, only the combined use of and conversion electron spectroscopy allows the precise determination of excitation energy, spin and parity of nuclear levels. In the years 2004–2009 using the GABRIELA set-up [Hauschild et al, Nucl. Instrum. Methods A560, 388 (2006)] at the focal plane of VASSILISSA separator [Malyshev et al, Nucl. Instrum. Methods A440, 86 (2000); A516, 529 (2004)] experiments with the aim of and electron spectroscopy of the isotopes from Fm to Lr, formed by complete fusion reactions with accelerated heavy ions were performed. In the following, the pre- liminary results of decay studies using - and - coincidences at the focal plane of the VASSILISSA recoil separator are presented. Accumulated experience allowed us to perform ion optical calculations and to design the new experimental set-up, which will collect the base and best parameters of the existing separators and complex detector systems used at the focal planes of these installations. In the near future it is planned to study neutron-rich isotopes of the Rf–Sg in the `hot’ fusion reactions with 22Ne incident projectiles and 242Pu, 243Am and 248Cm targets.

  17. Thermodynamic basis of electron transfer in dihydroorotate dehydrogenase B from Lactococcus lactis: analysis by potentiometry, EPR spectroscopy, and ENDOR spectroscopy.

    Science.gov (United States)

    Mohsen, Al-Walid A; Rigby, Stephen E J; Jensen, Kaj Frank; Munro, Andrew W; Scrutton, Nigel S

    2004-06-01

    Dihydroorotate dehydrogenase B (DHODB) is a complex iron-sulfur flavoprotein that catalyzes the conversion of dihydroorotate to orotate and the reduction of NAD(+). The enzyme is a dimer of heterodimers containing an FMN, an FAD, and a 2Fe-2S center. UV-visible, EPR, and ENDOR spectroscopies have been used to determine the reduction potentials of the flavins and the 2Fe-2S center and to characterize radicals and their interactions. Reductive titration using dithionite indicates a five-electron capacity for DHODB. The midpoint reduction potential of the 2Fe-2S center (-212 +/- 3 mV) was determined from analysis of absorption data at 540 nm, where absorption contributions from the two flavins are small. The midpoint reduction potentials of the oxidized/semiquinone (E(1)) and semiquinone/hydroquinone (E(2)) couples for the FMN (E(1) = -301 +/- 6 mV; E(2) = -252 +/- 8 mV) and FAD (E(1) = -312 +/- 6 mV; E(2) = -297 +/- 5 mV) were determined from analysis of spectral changes at 630 nm. Corresponding values for the midpoint reduction potentials for FMN (E(1) = -298 +/- 4 mV; E(2) = -259 +/- 5 mV) in the isolated catalytic subunit (subunit D, which lacks the 2Fe-2S center and FAD) are consistent with the values determined for the FMN couples in DHODB. During reductive titration of DHODB, small amounts of the neutral blue semiquinone are observed at approximately 630 nm, consistent with the measured midpoint reduction potentials of the flavins. An ENDOR spectrum of substrate-reduced DHODB identifies hyperfine couplings to proton nuclei similar to those recorded for the blue semiquinone of free flavins in aqueous solution, thus confirming the presence of this species in DHODB. Spectral features observed during EPR spectroscopy of dithionite-reduced DHODB are consistent with the midpoint reduction potentials determined using UV-visible spectroscopy and further identify an unusual EPR signal with very small rhombic anisotropy and g values of 2.02, 1.99, and 1.96. This unusual

  18. Synchrotron radiation-based Mössbauer spectra of {sup 174}Yb measured with internal conversion electrons

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, Ryo, E-mail: masudar@rri.kyoto-u.ac.jp; Kobayashi, Yasuhiro; Kitao, Shinji; Kurokuzu, Masayuki [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Saito, Makina [Beamline Spectroscopy/Scattering Group, Elettra-Sincrotrone Trieste, S. S. 14 Km 163.5, I-34149 Trieste (Italy); Yoda, Yoshitaka [Research and Utilization Division, Japan Synchrotron Radiation Research Institute, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Mitsui, Takaya [Condensed Matter Science Division, Japan Atomic Energy Agency, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Iga, Fumitoshi [College of Science, Ibaraki University, Mito, Ibaraki, 310-8512 (Japan); Seto, Makoto [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Condensed Matter Science Division, Japan Atomic Energy Agency, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan)

    2014-02-24

    A detection system for synchrotron-radiation (SR)-based Mössbauer spectroscopy was developed to enhance the nuclear resonant scattering counting rate and thus increase the available nuclides. In the system, a windowless avalanche photodiode (APD) detector was combined with a vacuum cryostat to detect the internal conversion (IC) electrons and fluorescent X-rays accompanied by nuclear de-excitation. As a feasibility study, the SR-based Mössbauer spectrum using the 76.5 keV level of {sup 174}Yb was observed without {sup 174}Yb enrichment of the samples. The counting rate was five times higher than that of our previous system, and the spectrum was obtained within 10 h. This result shows that nuclear resonance events can be more efficiently detected by counting IC electrons for nuclides with high IC coefficients. Furthermore, the windowless detection system enables us to place the sample closer to the APD elements and is advantageous for nuclear resonant inelastic scattering measurements. Therefore, this detection system can not only increase the number of nuclides accessible in SR-based Mössbauer spectroscopy but also allows the nuclear resonant inelastic scattering measurements of small single crystals or enzymes with dilute probe nuclides that are difficult to measure with the previous detection system.

  19. Stochastic stimulated electronic x-ray Raman spectroscopy

    CERN Document Server

    Kimberg, Victor

    2015-01-01

    Resonant inelastic x-ray scattering (RIXS) is a well-established tool for studying electronic, nuclear and collective dynamics of excited atoms, molecules and solids. An extension of this powerful method to a time-resolved probe technique at x-ray free electron lasers (XFELs) to ultimately unravel ultrafast chemical and structural changes on a femtosecond time scale is often challenging, due to the small signal rate in conventional implementations at XFELs that rely on the usage of a monochromator set up to select a small frequency band of the broadband, spectrally incoherent XFEL radiation. Here, we suggest an alternative approach, based on stochastic spectroscopy, that uses the full bandwidth of the incoming XFEL pulses. Our proposed method is relying on stimulated resonant inelastic x-ray scattering, where in addition to a pump pulse that resonantly excites the system a probe pulse on a specific electronic inelastic transition is provided, that serves as seed in the stimulated scattering process. The limit...

  20. Hot-electron-based solar energy conversion with metal-semiconductor nanodiodes.

    Science.gov (United States)

    Lee, Young Keun; Lee, Hyosun; Lee, Changhwan; Hwang, Euyheon; Park, Jeong Young

    2016-06-29

    Energy dissipation at metal surfaces or interfaces between a metal and a dielectric generally results from elementary excitations, including phonons and electronic excitation, once external energy is deposited to the surface/interface during exothermic chemical processes or an electromagnetic wave incident. In this paper, we outline recent research activities to develop energy conversion devices based on hot electrons. We found that photon energy can be directly converted to hot electrons and that hot electrons flow through the interface of metal-semiconductor nanodiodes where a Schottky barrier is formed and the energy barrier is much lower than the work function of the metal. The detection of hot electron flow can be successfully measured using the photocurrent; we measured the photoyield of photoemission with incident photons-to-current conversion efficiency (IPCE). We also show that surface plasmons (i.e. the collective oscillation of conduction band electrons induced by interaction with an electromagnetic field) are excited on a rough metal surface and subsequently decay into secondary electrons, which gives rise to enhancement of the IPCE. Furthermore, the unique optical behavior of surface plasmons can be coupled with dye molecules, suggesting the possibility for producing additional channels for hot electron generation.

  1. Two-dimensional electronic spectroscopy with birefringent wedges

    Energy Technology Data Exchange (ETDEWEB)

    Réhault, Julien; Maiuri, Margherita; Oriana, Aurelio; Cerullo, Giulio [IFN-CNR, Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2014-12-15

    We present a simple experimental setup for performing two-dimensional (2D) electronic spectroscopy in the partially collinear pump-probe geometry. The setup uses a sequence of birefringent wedges to create and delay a pair of phase-locked, collinear pump pulses, with extremely high phase stability and reproducibility. Continuous delay scanning is possible without any active stabilization or position tracking, and allows to record rapidly and easily 2D spectra. The setup works over a broad spectral range from the ultraviolet to the near-IR, it is compatible with few-optical-cycle pulses and can be easily reconfigured to two-colour operation. A simple method for scattering suppression is also introduced. As a proof of principle, we present degenerate and two-color 2D spectra of the light-harvesting complex 1 of purple bacteria.

  2. Moessbauer spectroscopy and scanning electron microscopy of the Murchison meteorite

    Science.gov (United States)

    Brown, Christopher L.; Oliver, Frederick W.; Hammond, Ernest C., Jr.

    1989-01-01

    Meteorites provide a wealth of information about the solar system's formation, since they have similar building blocks as the Earth's crust but have been virtually unaltered since their formation. Some stony meteorites contain minerals and silicate inclusions, called chondrules, in the matrix. Utilizing Moessbauer spectroscopy, we identified minerals in the Murchison meteorite, a carbonaceous chondritic meteorite, by the gamma ray resonance lines observed. Absorption patterns of the spectra were found due to the minerals olivine and phyllosilicate. We used a scanning electron microscope to describe the structure of the chondrules in the Murchison meteorite. The chondrules were found to be deformed due to weathering of the meteorite. Diameters varied in size from 0.2 to 0.5 mm. Further enhancement of the microscopic imagery using a digital image processor was used to describe the physical characteristics of the inclusions.

  3. Optimizing sparse sampling for 2D electronic spectroscopy

    Science.gov (United States)

    Roeding, Sebastian; Klimovich, Nikita; Brixner, Tobias

    2017-02-01

    We present a new data acquisition concept using optimized non-uniform sampling and compressed sensing reconstruction in order to substantially decrease the acquisition times in action-based multidimensional electronic spectroscopy. For this we acquire a regularly sampled reference data set at a fixed population time and use a genetic algorithm to optimize a reduced non-uniform sampling pattern. We then apply the optimal sampling for data acquisition at all other population times. Furthermore, we show how to transform two-dimensional (2D) spectra into a joint 4D time-frequency von Neumann representation. This leads to increased sparsity compared to the Fourier domain and to improved reconstruction. We demonstrate this approach by recovering transient dynamics in the 2D spectrum of a cresyl violet sample using just 25% of the originally sampled data points.

  4. Electronic structure of atoms: atomic spectroscopy information system

    Science.gov (United States)

    Kazakov, V. V.; Kazakov, V. G.; Kovalev, V. S.; Meshkov, O. I.; Yatsenko, A. S.

    2017-10-01

    The article presents a Russian atomic spectroscopy, information system electronic structure of atoms (IS ESA) (http://grotrian.nsu.ru), and describes its main features and options to support research and training. The database contains over 234 000 records, great attention paid to experimental data and uniform filling of the database for all atomic numbers Z, including classified levels and transitions of rare earth and transuranic elements and their ions. Original means of visualization of scientific data in the form of spectrograms and Grotrian diagrams have been proposed. Presentation of spectral data in the form of interactive color charts facilitates understanding and analysis of properties of atomic systems. The use of the spectral data of the IS ESA together with its functionality is effective for solving various scientific problems and training of specialists.

  5. Electron-transfer acceleration investigated by time resolved infrared spectroscopy.

    Science.gov (United States)

    Vlček, Antonín; Kvapilová, Hana; Towrie, Michael; Záliš, Stanislav

    2015-03-17

    Ultrafast electron transfer (ET) processes are important primary steps in natural and artificial photosynthesis, as well as in molecular electronic/photonic devices. In biological systems, ET often occurs surprisingly fast over long distances of several tens of angströms. Laser-pulse irradiation is conveniently used to generate strongly oxidizing (or reducing) excited states whose reactions are then studied by time-resolved spectroscopic techniques. While photoluminescence decay and UV-vis absorption supply precise kinetics data, time-resolved infrared absorption (TRIR) and Raman-based spectroscopies have the advantage of providing additional structural information and monitoring vibrational energy flows and dissipation, as well as medium relaxation, that accompany ultrafast ET. We will discuss three cases of photoinduced ET involving the Re(I)(CO)3(N,N) moiety (N,N = polypyridine) that occur much faster than would be expected from ET theories. [Re(4-N-methylpyridinium-pyridine)(CO)3(N,N)](2+) represents a case of excited-state picosecond ET between two different ligands that remains ultrafast even in slow-relaxing solvents, beating the adiabatic limit. This is caused by vibrational/solvational excitation of the precursor state and participation of high-frequency quantum modes in barrier crossing. The case of Re-tryptophan assemblies demonstrates that excited-state Trp → *Re(II) ET is accelerated from nanoseconds to picoseconds when the Re(I)(CO)3(N,N) chromophore is appended to a protein, close to a tryptophan residue. TRIR in combination with DFT calculations and structural studies reveals an interaction between the N,N ligand and the tryptophan indole. It results in partial electronic delocalization in the precursor excited state and likely contributes to the ultrafast ET rate. Long-lived vibrational/solvational excitation of the protein Re(I)(CO)3(N,N)···Trp moiety, documented by dynamic IR band shifts, could be another accelerating factor. The last

  6. Doubly stochastic Poisson processes in EMARG with detection of. beta. particles and internal-conversion electrons emitted from a surface

    Energy Technology Data Exchange (ETDEWEB)

    Rusov, V.D.; Zelentsova, T.N.; Grechan, V.I.; Semenov, M.Y.; Kravchenko, S.N.

    1985-12-01

    The form of the counting statistics is determined for detection of ..beta.. particles and internal-conversion electrons by a nuclear emulsion. It is shown experimentally for the first time that photographic detection of ..beta.. particles and internal-conversion electrons obeys a Neyman type-A distribution, and not a Poisson distribution as was previously assumed.

  7. X-ray Absorption Spectroscopy Characterization of Electrochemical Processes in Renewable Energy Storage and Conversion Devices

    Energy Technology Data Exchange (ETDEWEB)

    Farmand, Maryam [George Washington Univ., Washington, DC (United States)

    2013-05-19

    The development of better energy conversion and storage devices, such as fuel cells and batteries, is crucial for reduction of our global carbon footprint and improving the quality of the air we breathe. However, both of these technologies face important challenges. The development of lower cost and better electrode materials, which are more durable and allow more control over the electrochemical reactions occurring at the electrode/electrolyte interface, is perhaps most important for meeting these challenges. Hence, full characterization of the electrochemical processes that occur at the electrodes is vital for intelligent design of more energy efficient electrodes. X-ray absorption spectroscopy (XAS) is a short-range order, element specific technique that can be utilized to probe the processes occurring at operating electrode surfaces, as well for studying the amorphous materials and nano-particles making up the electrodes. It has been increasingly used in recent years to study fuel cell catalysts through application of the and #916; and mgr; XANES technique, in combination with the more traditional X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) techniques. The and #916; and mgr; XANES data analysis technique, previously developed and applied to heterogeneous catalysts and fuel cell electrocatalysts by the GWU group, was extended in this work to provide for the first time space resolved adsorbate coverages on both electrodes of a direct methanol fuel cell. Even more importantly, the and #916; and mgr; technique was applied for the first time to battery relevant materials, where bulk properties such as the oxidation state and local geometry of a cathode are followed.

  8. Analysis of quantum semiconductor heterostructures by ballistic electron emission spectroscopy

    Science.gov (United States)

    Guthrie, Daniel K.

    1998-09-01

    The microelectronics industry is diligently working to achieve the goal of gigascale integration (GSI) by early in the 21st century. For the past twenty-five years, progress toward this goal has been made by continually scaling down device technology. Unfortunately, this trend cannot continue to the point of producing arbitrarily small device sizes. One possible solution to this problem that is currently under intensive study is the relatively new area of quantum devices. Quantum devices represent a new class of microelectronic devices that operate by utilizing the wave-like nature (reflection, refraction, and confinement) of electrons together with the laws of quantum mechanics to construct useful devices. One difficulty associated with these structures is the absence of measurement techniques that can fully characterize carrier transport in such devices. This thesis addresses this need by focusing on the study of carrier transport in quantum semiconductor heterostructures using a relatively new and versatile measurement technique known as ballistic electron emission spectroscopy (BEES). To achieve this goal, a systematic approach that encompasses a set of progressively more complex structures is utilized. First, the simplest BEES structure possible, the metal/semiconductor interface, is thoroughly investigated in order to provide a foundation for measurements on more the complex structures. By modifying the semiclassical model commonly used to describe the experimental BEES spectrum, a very complete and accurate description of the basic structure has been achieved. Next, a very simple semiconductor heterostructure, a Ga1-xAlxAs single-barrier structure, was measured and analyzed. Low-temperature measurements on this structure were used to investigate the band structure and electron-wave interference effects in the Ga1-xAlxAs single barrier structure. These measurements are extended to a simple quantum device by designing, measuring, and analyzing a set of

  9. Attosecond photoelectron spectroscopy of electron transport in solids

    Energy Technology Data Exchange (ETDEWEB)

    Magerl, Elisabeth

    2011-03-31

    Time-resolved photoelectron spectroscopy of condensed matter systems in the attosecond regime promises new insights into excitation mechanisms and transient dynamics of electrons in solids. This timescale became accessible directly only recently with the development of the attosecond streak camera and of laser systems providing few-cycle, phase-controlled laser pulses in the near-infrared, which are used to generate isolated, sub-femtosecond extreme-ultraviolet pulses with a well-defined timing with respect to the near-infrared pulse. Employing these pulses, the attosecond streak camera offers time resolutions as short as a few 10 attoseconds. In the framework of this thesis, a new, versatile experimental apparatus combining attosecond pulse generation in gases with state of the art surface science techniques is designed, constructed, and commissioned. Employing this novel infrastructure and the technique of the attosecond transient recorder, we investigate transport phenomena occurring after photoexcitation of electrons in tungsten and rhenium single crystals and show that attosecond streaking is a unique method for resolving extremely fast electronic phenomena in solids. It is demonstrated that electrons originating from different energy levels, i.e. from the conduction band and the 4f core level, are emitted from the crystal surface at different times. The origin of this time delay, which is below 150 attoseconds for all studied systems, is investigated by a systematic variation of several experimental parameters, in particular the photon energy of the employed attosecond pulses. These experimental studies are complemented by theoretical studies of the group velocity of highly-excited electrons based on ab initio calculations. While the streaking technique applied on single crystals can provide only information about the relative time delay between two types of photoelectrons, the absolute transport time remains inaccessible. We introduce a scheme of a reference

  10. Suborbital Soft X-Ray Spectroscopy with Gaseous Electron Multipliers

    Science.gov (United States)

    Rogers, Thomas D.

    This thesis consists of the design, fabrication, and launch of a sounding rocket payload to observe the spectrum of the soft X-ray emission (0.1-1 keV) from the Cygnus Loop supernova remnant. This instrument, designated the Off-plane Grating Rocket for Extended Source Spectroscopy (OGRESS), was launched from White Sands Missile Range on May 2nd, 2015. The X-ray spectrograph incorporated a wire-grid focuser feeding an array of gratings in the extreme off-plane mount which dispersed the spectrum onto Gaseous Electron Multiplier (GEM) detectors. The gain characteristics of OGRESS's GEM detectors were fully characterized with respect to applied voltage and internal gas pressure, allowing operational settings to be optimized. The GEMs were optimized to operate below laboratory atmospheric pressure, allowing lower applied voltages, thus reducing the risk of both electrical arcing and tearing of the thin detector windows. The instrument recorded 388 seconds of data and found highly uniform count distributions over both detector faces, in sharp contrast to the expected thermal line spectrum. This signal is attributed to X-ray fluorescence lines generated inside the spectrograph. The radiation is produced when thermal ionospheric particles are accelerated into the interior walls of the spectrograph by the high voltages of the detector windows. A fluorescence model was found to fit the flight data better than modeled supernova spectra. Post-flight testing and analysis revealed that electrons produce distinct signal on the detectors which can also be successfully modeled as fluorescence emission.

  11. Tetrachloridocuprates(II—Synthesis and Electron Paramagnetic Resonance (EPR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Peter Strauch

    2012-02-01

    Full Text Available Ionic liquids (ILs on the basis of metal containing anions and/or cations are of interest for a variety of technical applications e.g., synthesis of particles, magnetic or thermochromic materials. We present the synthesis and the results of electron paramagnetic resonance (EPR spectroscopic analyses of a series of some new potential ionic liquids based on tetrachloridocuprates(II, [CuCl4]2−, with different sterically demanding cations: hexadecyltrimethylammonium 1, tetradecyltrimethylammonium 2, tetrabutylammonium 3 and benzyltriethylammonium 4. The cations in the new compounds were used to achieve a reasonable separation of the paramagnetic Cu(II ions for EPR spectroscopy. The EPR hyperfine structure was not resolved. This is due to the exchange broadening, resulting from still incomplete separation of the paramagnetic Cu(II centers. Nevertheless, the principal values of the electron Zeemann tensor (g║ and g┴ of the complexes could be determined. Even though the solid substances show slightly different colors, the UV/Vis spectra are nearly identical, indicating structural changes of the tetrachloridocuprate moieties between solid state and solution. The complexes have a promising potential e.g., as high temperature ionic liquids, as precursors for the formation of copper chloride particles or as catalytic paramagnetic ionic liquids.

  12. Electron Momentum Spectroscopy of the Frontier Orbitals of Chlorodifiuoromethane

    Institute of Scientific and Technical Information of China (English)

    徐春凯; 陈向军; 贾昌春; 张虚怀; 尹晓峰; 单旭; 魏征; 徐克尊

    2002-01-01

    We report on the first measurement of the electron momentum distributions of the three outermost valence orbitals for chlorodifluoromethane (CHF2 Cl) by binary (e, 2e) electron momentum spectroscopy. The experimen-tal data are compared with Hartree Fock and density functional theory (DFT) calculations employing 6-31 G,6-311++G** and A UG-cc-p VQZ basis sets. For the summed momentum distribution of 8a' + 5a" + 7a' orbitals,the DFT/AUG-cc-pVQZ calculation gives the best fit. A very large and diffuse basis set, AUG-cc-pVQZ, isemployed in the calculations to approach the Hartree Fock limit of the basis set, but the improvement of the calculation quality is little in comparison with that calculated with the 6-311++G** basis set. This indicates that the 6-311++G** basis set is nearly saturated for the calculations of these three orbitals of CHF2Cl, and it is unnecessary to employ a larger basis set in the calculations.

  13. Electronic structure and electron energy-loss spectroscopy of ZrO2 zirconia

    Science.gov (United States)

    Dash, L. K.; Vast, Nathalie; Baranek, Philippe; Cheynet, Marie-Claude; Reining, Lucia

    2004-12-01

    The atomic and electronic structures of zirconia are calculated within density functional theory, and their evolution is analyzed as the crystal-field symmetry changes from tetrahedral [cubic (c-ZrO2) and tetragonal (t-ZrO2) phases] to octahedral (hypothetical rutile ZrO2 ), to a mixing of these symmetries (monoclinic phase, m-ZrO2 ). We find that the theoretical bulk modulus in c-ZrO2 is 30% larger than the experimental value, showing that the introduction of yttria in zirconia has a significant effect. Electronic structure fingerprints which characterize each phase from their electronic spectra are identified. We have carried out electron energy-loss spectroscopy experiments at low momentum transfer and compared these results to the theoretical spectra calculated within the random phase approximation. We show a dependence of the valence and 4p ( N2,3 edge) plasmons on the crystal structure, the dependence of the latter being brought into the spectra by local-field effects. Last, we attribute low energy excitations observed in EELS of m-ZrO2 to defect states 2eV above the top of the intrinsic valence band, and the EELS fundamental band gap value is reconciled with the 5.2 or 5.8eV gaps determined by vacuum ultraviolet spectroscopy.

  14. Two-Dimensional Electronic Spectroscopies for Probing Electronic Structure and Charge Transfer: Applications to Photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Ogilvie, Jennifer P. [Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics

    2016-11-22

    Photosystem II (PSII) is the only known natural enzyme that uses solar energy to split water, making the elucidation of its design principles critical for our fundamental understanding of photosynthesis and for our ability to mimic PSII’s remarkable properties. This report discusses progress towards addressing key open questions about the PSII RC. It describes new spectroscopic methods that were developed to answer these questions, and summarizes the outcomes of applying these methods to study the PSII RC. Using 2D electronic spectroscopy and 2D electronic Stark spectroscopy, models for the PSII RC were tested and refined. Work is ongoing to use the collected data to elucidate the charge separation mechanism in the PSII RC. Coherent dynamics were also observed in the PSII RC for the first time. Through extensive characterization and modeling we have assigned these coherences as vibronic in nature, and believe that they reflect resonances between key vibrational pigment modes and electronic energy gaps that may facilitate charge separation. Work is ongoing to definitively test the functional relevance of electronic-vibrational resonances.

  15. Carbon Nanotube Electron Sources: From Electron Beams to Energy Conversion and Optophononics

    OpenAIRE

    Alireza Nojeh

    2014-01-01

    Carbon nanotubes have a host of properties that make them excellent candidates for electron emitters. A significant amount of research has been conducted on nanotube-based field-emitters over the past two decades, and they have been investigated for devices ranging from flat-panel displays to vacuum tubes and electron microscopes. Other electron emission mechanisms from carbon nanotubes, such as photoemission, secondary emission, and thermionic emission, have also been studied, although to a ...

  16. Direct measurement of electron beam quality conversion factors using water calorimetry.

    Science.gov (United States)

    Renaud, James; Sarfehnia, Arman; Marchant, Kristin; McEwen, Malcolm; Ross, Carl; Seuntjens, Jan

    2015-11-01

    In this work, the authors describe an electron sealed water calorimeter (ESWcal) designed to directly measure absorbed dose to water in clinical electron beams and its use to derive electron beam quality conversion factors for two ionization chamber types. A functioning calorimeter prototype was constructed in-house and used to obtain reproducible measurements in clinical accelerator-based 6, 9, 12, 16, and 20 MeV electron beams. Corrections for the radiation field perturbation due to the presence of the glass calorimeter vessel were calculated using Monte Carlo (MC) simulations. The conductive heat transfer due to dose gradients and nonwater materials was also accounted for using a commercial finite element method software package. The relative combined standard uncertainty on the ESWcal dose was estimated to be 0.50% for the 9-20 MeV beams and 1.00% for the 6 MeV beam, demonstrating that the development of a water calorimeter-based standard for electron beams over such a wide range of clinically relevant energies is feasible. The largest contributor to the uncertainty was the positioning (Type A, 0.10%-0.40%) and its influence on the perturbation correction (Type B, 0.10%-0.60%). As a preliminary validation, measurements performed with the ESWcal in a 6 MV photon beam were directly compared to results derived from the National Research Council of Canada (NRC) photon beam standard water calorimeter. These two independent devices were shown to agree well within the 0.43% combined relative uncertainty of the ESWcal for this beam type and quality. Absorbed dose electron beam quality conversion factors were measured using the ESWcal for the Exradin A12 and PTW Roos ionization chambers. The photon-electron conversion factor, kecal, for the A12 was also experimentally determined. Nonstatistically significant differences of up to 0.7% were found when compared to the calculation-based factors listed in the AAPM's TG-51 protocol. General agreement between the relative

  17. Direct measurement of electron beam quality conversion factors using water calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Renaud, James, E-mail: james.renaud@mail.mcgill.ca; Seuntjens, Jan [Medical Physics Unit, McGill University, Montréal, Québec H3G 1A4 (Canada); Sarfehnia, Arman [Medical Physics Unit, McGill University, Montréal, Québec H3G 1A4, Canada and Department of Radiation Oncology, University of Toronto, Toronto, Ontario M5S 3E2 (Canada); Marchant, Kristin [Allan Blair Cancer Centre, Saskatchewan Cancer Agency, Regina, Saskatchewan S4T 7T1, Canada and Department of Oncology, University of Saskatchewan, Saskatoon, Saskatchewan S7N 5A1 (Canada); McEwen, Malcolm; Ross, Carl [Ionizing Radiation Standards, National Research Council of Canada, Ottawa, Ontario K1A 0R6 (Canada)

    2015-11-15

    Purpose: In this work, the authors describe an electron sealed water calorimeter (ESWcal) designed to directly measure absorbed dose to water in clinical electron beams and its use to derive electron beam quality conversion factors for two ionization chamber types. Methods: A functioning calorimeter prototype was constructed in-house and used to obtain reproducible measurements in clinical accelerator-based 6, 9, 12, 16, and 20 MeV electron beams. Corrections for the radiation field perturbation due to the presence of the glass calorimeter vessel were calculated using Monte Carlo (MC) simulations. The conductive heat transfer due to dose gradients and nonwater materials was also accounted for using a commercial finite element method software package. Results: The relative combined standard uncertainty on the ESWcal dose was estimated to be 0.50% for the 9–20 MeV beams and 1.00% for the 6 MeV beam, demonstrating that the development of a water calorimeter-based standard for electron beams over such a wide range of clinically relevant energies is feasible. The largest contributor to the uncertainty was the positioning (Type A, 0.10%–0.40%) and its influence on the perturbation correction (Type B, 0.10%–0.60%). As a preliminary validation, measurements performed with the ESWcal in a 6 MV photon beam were directly compared to results derived from the National Research Council of Canada (NRC) photon beam standard water calorimeter. These two independent devices were shown to agree well within the 0.43% combined relative uncertainty of the ESWcal for this beam type and quality. Absorbed dose electron beam quality conversion factors were measured using the ESWcal for the Exradin A12 and PTW Roos ionization chambers. The photon-electron conversion factor, k{sub ecal}, for the A12 was also experimentally determined. Nonstatistically significant differences of up to 0.7% were found when compared to the calculation-based factors listed in the AAPM’s TG-51 protocol

  18. From electron energy-loss spectroscopy to multi-dimensional and multi-signal electron microscopy.

    Science.gov (United States)

    Colliex, Christian

    2011-01-01

    This review intends to illustrate how electron energy-loss spectroscopy (EELS) techniques in the electron microscope column have evolved over the past 60 years. Beginning as a physicist tool to measure basic excitations in solid thin foils, EELS techniques have gradually become essential for analytical purposes, nowadays pushed to the identification of individual atoms and their bonding states. The intimate combination of highly performing techniques with quite efficient computational tools for data processing and ab initio modeling has opened the way to a broad range of novel imaging modes with potential impact on many different fields. The combination of Angström-level spatial resolution with an energy resolution down to a few tenths of an electron volt in the core-loss spectral domain has paved the way to atomic-resolved elemental and bonding maps across interfaces and nanostructures. In the low-energy range, improved energy resolution has been quite efficient in recording surface plasmon maps and from them electromagnetic maps across the visible electron microscopy (EM) domain, thus bringing a new view to nanophotonics studies. Recently, spectrum imaging of the emitted photons under the primary electron beam and the spectacular introduction of time-resolved techniques down to the femtosecond time domain, have become innovative keys for the development and use of a brand new multi-dimensional and multi-signal electron microscopy.

  19. A Direct Power Electronic Conversion Topology for Multi-Drive Applications

    DEFF Research Database (Denmark)

    Klumpner, Christian; Blaabjerg, Frede

    2002-01-01

    In this paper, a two-stage converter topology consisting of a three-phase to two-phase matrix converter directly linked to a Voltage Source Inverter (VSI) that provides Direct Power Electronic Conversion (DPEC) is analysed. A new topology for multi-drive applications is proposed where several VSI...... stages are directly linked to a rectification stage without using DC-link capacitors, providing similar performance as a matrix converter: sinusoidal input currents and bi-directional power flow....

  20. A Palladium-Binding Deltarhodopsin for Light-Activated Conversion of Protonic to Electronic Currents.

    Science.gov (United States)

    Soto-Rodríguez, Jessica; Hemmatian, Zahra; Josberger, Erik E; Rolandi, Marco; Baneyx, François

    2016-08-01

    Fusion of a palladium-binding peptide to an archaeal rhodopsin promotes intimate integration of the lipid-embedded membrane protein with a palladium hydride protonic contact. Devices fabricated with the palladium-binding deltarhodopsin enable light-activated conversion of protonic currents to electronic currents with on/off responses complete in seconds and a nearly tenfold increase in electrical signal relative to those made with the wild-type protein.

  1. Preparation of {sup 114m}In low energy conversion electron sources

    Energy Technology Data Exchange (ETDEWEB)

    Wrede, C., E-mail: wrede@uw.ed [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Filippone, B.W. [Kellogg Radiation Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Garcia, A.; Harper, G.C. [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Lassell, S. [Department of Nuclear Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Liu, J. [Kellogg Radiation Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Department of Physics, Shanghai Jiao Tong University, Shanghai 200240 (China); Mendenhall, M.P. [Kellogg Radiation Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Palmer, A.S.C. [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Pattie, R.W. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 (United States); Will, D.I. [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Young, A.R. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2011-05-15

    Highlights: {yields} Controlled ion implantation of In-113 into thin Al substrate. {yields} Production of In-114m (half life = 50 days) by neutron irradiation. {yields} Use of In-114m as a source of electron lines and continuum for calibrations. {yields} Source reactivation by short neutron irradiation. -- Abstract: The preparation of {sup 114m}In sources of conversion electrons in the energy range 162-190 keV and {beta} continuum with a 1989 keV endpoint via ion implantation of {sup 113}In into Al substrates and subsequent irradiation by thermal and epi-thermal neutrons in a nuclear reactor is described.

  2. Energy Conversion Mechanism for Electron Perpendicular Energy in High Guide-Field Reconnection

    Science.gov (United States)

    Guo, Xuehan; Horiuchi, Ritoku; Kaminou, Yasuhiro; Cheng, Frank; Ono, Yasushi

    2016-10-01

    The energy conversion mechanism for electron perpendicular energy, both the thermal and the kinetic energy, is investigated by means of two-dimensional, full-particle simulations in an open system. It is shown that electron perpendicular heating is mainly due to the breaking of magnetic moment conservation in separatrix region because the charge separation generates intense variation of electric field within the electron Larmor radius. Meanwhile, electron perpendicular acceleration takes place manly due to the polarization drift term as well as the curvature drift term of E . u⊥ in the downstream near the X-point. The enhanced electric field due to the charge separation there results in a significant effect of the polarization drift term on the dissipation of magnetic energy within the ion inertia length in the downstream. Japan Society for the Promotion of Science (JSPS) Fellows 15J03758.

  3. First-Principles Simulations of Inelastic Electron Tunneling Spectroscopy of Molecular Electronic Devices

    Science.gov (United States)

    Jiang, Jun; Kula, Mathias; Lu, Wei; Luo, Yi

    2005-08-01

    A generalized Green's function theory is developed to simulate the inelastic electron tunneling spectroscopy (IETS) of molecular junctions. It has been applied to a realistic molecular junction with an octanedithiolate embedded between two gold contacts in combination with the hybrid density functional theory calculations. The calculated spectra are in excellent agreement with recent experimental results. Strong temperature dependence of the experimental IETS spectra is also reproduced. It is shown that the IETS is extremely sensitive to the intra-molecular conformation and to the molecule-metal contact geometry.

  4. Electron energy-loss spectroscopy of coupled plasmonic systems: beyond the standard electron perspective

    Science.gov (United States)

    Bernasconi, G. D.; Flauraud, V.; Alexander, D. T. L.; Brugger, J.; Martin, O. J. F.; Butet, J.

    2016-09-01

    Electron energy-loss spectroscopy (EELS) has become an experimental method of choice for the investigation of localized surface plasmon resonances, allowing the simultaneous mapping of the associated field distributions and their resonant energies with a nanoscale spatial resolution. The experimental observations have been well-supported by numerical models based on the computation of the Lorentz force acting on the impinging electrons by the scattered field. However, in this framework, the influence of the intrinsic properties of the plasmonic nanostructures studied with the electron energy-loss (EEL) measurements is somehow hidden in the global response. To overcome this limitation, we propose to go beyond this standard, and well-established, electron perspective and instead to interpret the EELS data using directly the intrinsic properties of the nanostructures, without regard to the force acting on the electron. The proposed method is particularly well-suited for the description of coupled plasmonic systems, because the role played by each individual nanoparticle in the observed EEL spectrum can be clearly disentangled, enabling a more subtle understanding of the underlying physical processes. As examples, we consider different plasmonic geometries in order to emphasize the benefits of this new conceptual approach for interpreting experimental EELS data. In particular, we use it to describe results from samples made by traditional thin film patterning and by arranging colloidal nanostructures.

  5. Femtosecond spectroscopy of electron-electron and electron-phonon energy relaxation in Ag and Au

    Science.gov (United States)

    Groeneveld, Rogier H. M.; Sprik, Rudolf; Lagendijk, Ad

    1995-05-01

    We show experimentally that the electron distribution of a laser-heated metal is a nonthermal distribution on the time scale of the electron-phonon (e-ph) energy relaxation time τE. We measured τE in 45-nm Ag and 30-nm Au thin films as a function of lattice temperature (Ti=10-300 K) and laser-energy density (Ul=0.3-1.3 J cm-3), combining femtosecond optical transient-reflection techniques with the surface-plasmon polariton resonance. The experimental effective e-ph energy relaxation time decreased from 710-530 fs and 830-530 fs for Ag and Au, respectively, when temperature is lowered from 300 to 10 K. At various temperatures we varied Ul between 0.3-1.3 J cm-3 and observed that τE is independent from Ul within the given range. The results were first compared to theoretical predictions of the two-temperature model (TTM). The TTM is the generally accepted model for e-ph energy relaxation and is based on the assumption that electrons and lattice can be described by two different time-dependent temperatures Te and Ti, implying that the two subsystems each have a thermal distribution. The TTM predicts a quasiproportional relation between τE and Ti in the perturbative regime where τE is not affected by Ul. Hence, it is shown that the measured dependencies of τE on lattice temperature and energy density are incompatible with the TTM. It is proven that the TTM assumption of a thermal electron distribution does not hold especially under our experimental conditions of low laser power and lattice temperature. The electron distribution is a nonthermal distribution on the picosecond time scale of e-ph energy relaxation. We developed a new model, the nonthermal electron model (NEM), in which we account for the (finite) electron-electron (e-e) and electron-phonon dynamics simultaneously. It is demonstrated that incomplete electron thermalization yields a slower e-ph energy relaxation in comparison to the thermalized limit. With the NEM we are able to give a consistent

  6. Theory of Auger-electron and appearance-potential spectroscopy for interacting valence-band electrons

    Science.gov (United States)

    Nolting, W.; Geipel, G.; Ertl, K.

    1991-12-01

    A theory of Auger-electron spectroscopy (AES) and appearance-potential spectroscopy (APS) is presented for interacting electrons in a nondegenerate energy band, described within the framework of the Hubbard model. Both types of spectroscopy are based on the same two-particle spectral density. A diagrammatic vertex-correction method (Matsubara formalism) is used to express this function in terms of the one-particle spectral density. The latter is approximately determined for arbitrary temperature T, arbitrary coupling strength U/W (U, the intra-atomic Coulomb matrix element; W, the width of the ``free'' Bloch band), and arbitrary band occupations n (0QDOS) in relation to the Bloch density of states (BDOS), where, however, spontaneous magnetic order is excluded, irrespective of the band filling n. The AE (AP) spectra consist of only one structure a few eV wide (``bandlike'') which is strongly n dependent, but only slightly T dependent, being rather well approximated by a simple self-convolution of the occupied (unoccupied) QDOS. For strongly correlated electrons the Bloch band splits into two quasiparticle subbands. This leads for n1. For sufficiently strong correlations U/W additional satellites appear that refer to situations where the two excited quasiparticles (quasiholes) propagate as tightly bound pairs through the lattice without being scattered by other charge carriers. As soon as the satellite splits off from the bandlike part of the spectrum, it takes almost the full spectral weight, conveying the impression of an ``atomiclike'' AE (AP) line shape. The satellite has almost exactly the structure of the free BDOS. If the particle density n as well as the hole density 2-n exceed certain critical values determined by U/W and the BDOS ρ0(E), spontaneous ferromagnetism becomes possible in the strongly correlated electron band. The magnetic phase transition gives rise to a distinctive T dependence for the QDOS and hence also for the AE and AP line shapes

  7. Conversion electrons used to monitor the energy scale of electron spectrometer near tritium endpoint - a simulation study

    CERN Document Server

    Rysavy, M

    2006-01-01

    Measurements of the endpoint region of the tritium beta-decay spectrum provides good possibility to determine neutrino mass. This, however, needs a perfect monitoring of the spectrometer energy scale. A parallel measurement of electron line of known energy - in particular the 83mKr conversion K-line - may serve well to this purpose. The 83Rb decaying to 83mKr seems to be a very suitable radioactive source due to its halflife of 86.2 day. In this work, we determine the amount of 83Rb which is necessary for a successful monitoring.

  8. Femtosecond Soft X-ray Spectroscopy of Solvated Transition-Metal Complexes: Deciphering the Interplay of Electronic and Structural Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Huse, Nils; Cho, Hana; Hong, Kiryong; Jamula, Lindsey; de Groot, Frank M. F.; Kim, Tae Kyu; McCusker, James K.; Schoenlein, Robert W.

    2011-04-21

    We present the first implementation of femtosecond soft X-ray spectroscopy as an ultrafast direct probe of the excited-state valence orbitals in solution-phase molecules. This method is applied to photoinduced spin crossover of [Fe(tren(py)3)]2+, where the ultrafast spinstate conversion of the metal ion, initiated by metal-to-ligand charge-transfer excitation, is directly measured using the intrinsic spin-state selectivity of the soft X-ray L-edge transitions. Our results provide important experimental data concerning the mechanism of ultrafast spin-state conversion and subsequent electronic and structural dynamics, highlighting the potential of this technique to study ultrafast phenomena in the solution phase.

  9. Electron exchanges in nuclear spin conversion of hydrogen physisorbed on diamagnetic insulators

    Science.gov (United States)

    Ilisca, Ernest; Ghiglieno, Filippo

    2014-10-01

    Models are provided and discussed to interpret new experiments on the ortho-para conversion of hydrogen "physisorbed" on dielectric and diamagnetic surfaces. Electro-static and dynamical molecule-surface interactions complemented by hyperfine contacts are shown to be generally more effective than the magnetic ones. Coulomb repulsion induces exchanges of molecular and surface electrons and excites triplet spin states which are effective in the angular momenta transfers to the catalyst. The conversion time is obtained as the square of a ratio of two energies: the exchange and excitation ones. The main channel is found composed of triplet excitations of the order of the eV, induced by molecule-surface exchanges of about a hundred of meV. It explains the zinc and oxygen rates of about one minute observed on the MOF samples as well as the about ten times slower ones on the ASW. The same mechanism is also shown to occur in the transient regime, but faster. Finally it explains also the conversion of a few hours observed for interstitial hydrogen in silicium by transitions to the conduction band induced by about 10 meV electron exchanges. The molecule-surface orbital geometries of the MOF and ASW configurations are displayed and the quantum path when unfolded exhibits the successive broken symmetries.

  10. Muon conversion to electron in nuclei in type-I seesaw models

    CERN Document Server

    Alonso, Rodrigo; Gavela, M B; Hambye, Thomas

    2012-01-01

    We compute the muon to electron conversion in the type-I seesaw model, as a function of the right-handed neutrino mixings and masses. The results are compared with previous computations in the literature. We determine the definite predictions resulting for the ratios between the muon to electron conversion rate for a given nucleus and the rate of two other processes which also involve a mu-e flavour transition: mu -> e gamma and mu -> eee. For a quasi-degenerate mass spectrum of right-handed neutrino masses -which is the most natural scenario leading to observable rates- those ratios depend only on the seesaw mass scale, offering a quite interesting testing ground. In the case of sterile neutrinos heavier than the electroweak scale, these ratios vanish typically for a mass scale of order a few TeV. Furthermore, the analysis performed here is also valid down to very light masses. It turns out that planned mu -> e conversion experiments would be sensitive to masses as low as 2 MeV. Taking into account other exp...

  11. Influences of Uncaptured Electron on Energy Conversion of Photon Compton Scattering in High Power Laser-plasma

    Institute of Scientific and Technical Information of China (English)

    ZHENG Jing-hua; HAO Xiao-fei; HAO Dong-shan

    2004-01-01

    Using the single particle theory and the non-flexibility collision model of electron and photon, the influence of the uncaptured electrons on the energy conversion efficiency of multi-photon nonlinear Compton scattering in the extra stationary laser-plasma is investigated. It shows that in extra stationary laser-plasma,the uncaptured electrons make the Δω of the scattering frequency of the multi-photon Compton fall down with the increases of the incident radiation electron speed,the materials of the incident collision of electron and photon, and the number of the photons which work with the electrons at the same time. Under the modulation of the uncaptured electrons to the laser field, the energy conversion efficiency between electrons and photons will fall down with the increase of the electron incident radiation speed, using the low-power electrons for incident source, the loss can be efficiently reduced.

  12. Dose conversion coefficients for electron exposure of the human eye lens

    Energy Technology Data Exchange (ETDEWEB)

    Behrens, R [Physikalisch-Technische Bundesanstalt, Bundesallee 100, D-38116 Braunschweig (Germany); Dietze, G [Paracelsusstrasse 7, D-38116 Braunschweig (Germany); Zankl, M [Helmholtz Zentrum Muenchen, Ingolstaedter Landstrasse 1, D-85764 Neuherberg (Germany)], E-mail: rolf.behrens@ptb.de

    2009-07-07

    Recent epidemiological studies suggest a rather low dose threshold (below 0.5 Gy) for the induction of a cataract of the eye lens. Some other studies even assume that there is no threshold at all. Therefore, protection measures have to be optimized and current dose limits for the eye lens may be reduced in the future. Two questions arise from this situation: first, which dose quantity is related to the risk of developing a cataract, and second, which personal dose equivalent quantity is appropriate for monitoring this dose quantity. While the dose equivalent quantity H{sub p}(0.07) has often been seen as being sufficiently accurate for monitoring the dose to the lens of the eye, this would be questionable in the case when the dose limits were reduced and, thus, it may be necessary to generally use the dose equivalent quantity H{sub p}(3) for this purpose. The basis for a decision, however, must be the knowledge of accurate conversion coefficients from fluence to equivalent dose to the lens. This is especially important for low-penetrating radiation, for example, electrons. Formerly published values of conversion coefficients are based on quite simple models of the eye. In this paper, quite a sophisticated model of the eye including the inner structure of the lens was used for the calculations and precise conversion coefficients for electrons with energies between 0.2 MeV and 12 MeV, and for angles of radiation incidence between 0 deg. and 45 deg. are presented. Compared to the values adopted in 1996 by the International Commission on Radiological Protection (ICRP), the new values are up to 1000 times smaller for electron energies below 1 MeV, nearly equal at 1 MeV and above 4 MeV, and by a factor of 1.5 larger at about 1.5 MeV electron energy.

  13. Dose conversion coefficients for electron exposure of the human eye lens

    Science.gov (United States)

    Behrens, R.; Dietze, G.; Zankl, M.

    2009-07-01

    Recent epidemiological studies suggest a rather low dose threshold (below 0.5 Gy) for the induction of a cataract of the eye lens. Some other studies even assume that there is no threshold at all. Therefore, protection measures have to be optimized and current dose limits for the eye lens may be reduced in the future. Two questions arise from this situation: first, which dose quantity is related to the risk of developing a cataract, and second, which personal dose equivalent quantity is appropriate for monitoring this dose quantity. While the dose equivalent quantity Hp(0.07) has often been seen as being sufficiently accurate for monitoring the dose to the lens of the eye, this would be questionable in the case when the dose limits were reduced and, thus, it may be necessary to generally use the dose equivalent quantity Hp(3) for this purpose. The basis for a decision, however, must be the knowledge of accurate conversion coefficients from fluence to equivalent dose to the lens. This is especially important for low-penetrating radiation, for example, electrons. Formerly published values of conversion coefficients are based on quite simple models of the eye. In this paper, quite a sophisticated model of the eye including the inner structure of the lens was used for the calculations and precise conversion coefficients for electrons with energies between 0.2 MeV and 12 MeV, and for angles of radiation incidence between 0° and 45° are presented. Compared to the values adopted in 1996 by the International Commission on Radiological Protection (ICRP), the new values are up to 1000 times smaller for electron energies below 1 MeV, nearly equal at 1 MeV and above 4 MeV, and by a factor of 1.5 larger at about 1.5 MeV electron energy.

  14. Spectroscopy of hexafluorides with an odd number of electrons; Spectroscopie des hexafluorures a nombre impair d'electrons

    Energy Technology Data Exchange (ETDEWEB)

    Boudon, V

    1995-05-01

    From a theoretical point of view, a tensorial formalism adapted to the study of molecules or octahedral ions with a half-integer angular momentum has been developed for the first time. We have used here the method of projective representations, more consistent than that of double groups. A complete set of coupling coefficients and formulas, as well as the corresponding computing programs have been elaborated. This has firstly allowed us to write a simple model describing the vibronic structure of colored hexafluorides. Then, some applications of this formalism to the study of ro-vibronic couplings of XY{sub 6} molecules in a fourfold degenerate electronic state have been considered, especially concerning operators associated to dynamic Jahn-Teller effect. From an experimental point of view, we have considered IrF{sub 6}, for which we have mastered the synthesis, purification and conservation processes. A first study at low resolution (absorption and Raman scattering) has been performed for this molecule. We have then set up two high resolution spectroscopic devices in the visible region (saturated absorption - tested with an iodine cell- and simple absorption with multiple pass). These especially use a dye laser. They should now allow the spectroscopy of the visible band of IrF{sub 6} in order to resolve for the first time its fine rotational structure. (author)

  15. Conversion from Single Photon to Single Electron Spin Using Electrically Controllable Quantum Dots

    Science.gov (United States)

    Oiwa, Akira; Fujita, Takafumi; Kiyama, Haruki; Allison, Giles; Ludwig, Arne; Wieck, Andreas D.; Tarucha, Seigo

    2017-01-01

    Polarization is a fundamental property of light and could provide various solutions to the development of secure optical communications with high capacity and high speed. In particular, the coherent quantum state conversion between single photons and single electron spins is a prerequisite for long-distance quantum communications and distributed quantum computation. Electrically defined quantum dots have already been proven to be suitable for scalable solid state qubits by demonstrations of single-spin coherent manipulations and two-qubit gate operations. Thus, their capacity for quantum information technologies would be considerably extended by the achievement of entanglement between an electron spin in the quantum dots and a photon. In this review paper, we show the basic technologies for trapping single electrons generated by single photons in quantum dots and for detecting their spins using the Pauli effect with sensitive charge sensors.

  16. Low-energy internal conversion electrons spectrometry with a silicon diode

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Thiago R. [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Inst. de Fisica; Camargo, Fabio de; Goncalves, Josemary A.C. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)]. E-mail: fcamargo@ipen.br; josemary@ipen.br; ccbueno@ipen.br; Bueno, Carmen C. [Pontificia Universidade Catolica de Sao Paulo (PUC/SP), Sao Paulo, SP (Brazil). Dept. de Fisica; Fraga, Margarida R.F. [Universidade de Coimbra, Coimbra (Portugal). Dept. de Fisica. Lab. de Instrumentacao e Fisica Experimental de Particulas]. E-mail: margarida@lipc.fis.uc.pt

    2007-07-01

    In this paper the preliminary results obtained with a PIN photodiode (SFH00206) for the detection and spectrometry of internal results from {sup 57}Co, {sup 109}Cd and {sup 133}Ba radioactive sources are described. The effect of the reverse bias on the energy resolution was studied and has shown a value of 2.8 keV (FHWM) for the {sup 57}Co 129.36 keV electron emission, when the diode was biased with 20 V at a temperature of 22 degree C. The obtained energy resolution can be attributed to both the energy loss in the diode dead layer and in the Makrofol covering of the sources, besides the contribution of the preamplifier electronic noise. Nevertheless, the energy resolutions measured are sufficiently good to justify the use of the diode for detection and spectrometry of internal conversion electrons. (author)

  17. High-energy photoemission spectroscopy for investigating bulk electronic structures of strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Sekiyama, Akira, E-mail: sekiyama@mp.es.osaka-u.ac.jp [Division of Materials Physics, Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531, Osaka (Japan); SPring-8/RIKEN, Sayo 679-5148, Hyogo (Japan)

    2016-04-15

    Progress of high-energy photoemission spectroscopy for investigating the bulk electronic structures of strongly correlated electron systems is reviewed. High-resolution soft X-ray photoemission has opened the door for revealing the bulk strongly correlated spectral functions overcoming the surface contributions. More bulk-sensitive hard X-ray photoemission spectroscopy (HAXPES) enables us to study the electronic structure with negligible surface contribution. The recent development of the polarization-dependent HAXPES is also described in this short review.

  18. Importance and Challenges of Electrochemical in Situ Liquid Cell Electron Microscopy for Energy Conversion Research.

    Science.gov (United States)

    Hodnik, Nejc; Dehm, Gerhard; Mayrhofer, Karl J J

    2016-09-20

    The foreseeable worldwide energy and environmental challenges demand renewable alternative sources, energy conversion, and storage technologies. Therefore, electrochemical energy conversion devices like fuel cells, electrolyzes, and supercapacitors along with photoelectrochemical devices and batteries have high potential to become increasingly important in the near future. Catalytic performance in electrochemical energy conversion results from the tailored properties of complex nanometer-sized metal and metal oxide particles, as well as support nanostructures. Exposed facets, surface defects, and other structural and compositional features of the catalyst nanoparticles affect the electrocatalytic performance to varying degrees. The characterization of the nanometer-size and atomic regime of electrocatalysts and its evolution over time are therefore paramount for an improved understanding and significant optimization of such important technologies like electrolyzers or fuel cells. Transmission electron microscopy (TEM) and scanning transmission electron microscope (STEM) are to a great extent nondestructive characterization tools that provide structural, morphological, and compositional information with nanoscale or even atomic resolution. Due to recent marked advancement in electron microscopy equipment such as aberration corrections and monochromators, such insightful information is now accessible in many institutions around the world and provides huge benefit to everyone using electron microscopy characterization in general. Classical ex situ TEM characterization of random catalyst locations however suffers from two limitations regarding catalysis. First, the necessary low operation pressures in the range of 10(-6) to 10(-9) mbar for TEM are not in line with typical reaction conditions, especially considering electrocatalytic solid-liquid interfaces, so that the active state cannot be assessed. Second, and somewhat related, is the lack of time resolution for the

  19. Combined electron microscopy and vibrational spectroscopy study of corroded Magnox sludge from a legacy spent nuclear fuel storage pond

    Science.gov (United States)

    Gregson, Colin R.; Goddard, David T.; Sarsfield, Mark J.; Taylor, Robin J.

    2011-05-01

    Samples of filtered particulates and sludges, formed from corroding magnesium alloy clad uranium metal ("Magnox") fuel elements, collected from one of the legacy nuclear fuel storage ponds located at Sellafield (UK) were investigated by Environmental Scanning Electron Microscopy with Energy Dispersive X-Ray analysis (ESEM/EDX), micro-Raman spectroscopy and Fourier transform infra-red spectroscopy (FT-IR). ESEM imaging confirmed the dominant morphology to be clusters of interlocking platelets typical of brucite (Mg(OH) 2). EDX analysis was suggestive of some conversion to the related phase, hydrotalcite (Mg 6Al 2(CO 3)(OH) 16·4H 2O), due to elevated levels of Al associated with Mg. Other apparent morphologies were less commonly observed including flaky sheets, consistent with earlier stages of Magnox alloy corrosion. In a few specific cases, rods were also observed suggestive of some conversion to Mg-hydroxycarbonate phases. Discrete phases rich in U were also identified. Fluorescence in the Raman spectroscopy also indicated surface coatings of organic macromolecules and iron sulphide on hematite containing particles, attributed to microbial activity within the open air pond. Some specific differences in the solid phases between pond areas with differing conditions were apparent.

  20. Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nenov, Artur, E-mail: Artur.Nenov@unibo.it; Giussani, Angelo; Segarra-Martí, Javier; Jaiswal, Vishal K. [Dipartimento di Chimica “G. Ciamician,” Università di Bologna, Via Selmi 2, IT-40126 Bologna (Italy); Rivalta, Ivan [Université de Lyon, CNRS, Institut de Chimie de Lyon, École Normale Supérieure de Lyon, 46 Allée d’Italie, F-69364 Lyon Cedex 07 (France); Cerullo, Giulio [Dipartimento di Fisica, Politecnico di Milano, IFN-CNR, Piazza Leonardo Da Vinci 32, IT-20133 Milano (Italy); Mukamel, Shaul [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States); Garavelli, Marco, E-mail: marco.garavelli@unibo.it, E-mail: marco.garavelli@ens-lyon.fr [Dipartimento di Chimica “G. Ciamician,” Università di Bologna, Via Selmi 2, IT-40126 Bologna (Italy); Université de Lyon, CNRS, Institut de Chimie de Lyon, École Normale Supérieure de Lyon, 46 Allée d’Italie, F-69364 Lyon Cedex 07 (France)

    2015-06-07

    Pump-probe electronic spectroscopy using femtosecond laser pulses has evolved into a standard tool for tracking ultrafast excited state dynamics. Its two-dimensional (2D) counterpart is becoming an increasingly available and promising technique for resolving many of the limitations of pump-probe caused by spectral congestion. The ability to simulate pump-probe and 2D spectra from ab initio computations would allow one to link mechanistic observables like molecular motions and the making/breaking of chemical bonds to experimental observables like excited state lifetimes and quantum yields. From a theoretical standpoint, the characterization of the electronic transitions in the visible (Vis)/ultraviolet (UV), which are excited via the interaction of a molecular system with the incoming pump/probe pulses, translates into the determination of a computationally challenging number of excited states (going over 100) even for small/medium sized systems. A protocol is therefore required to evaluate the fluctuations of spectral properties like transition energies and dipole moments as a function of the computational parameters and to estimate the effect of these fluctuations on the transient spectral appearance. In the present contribution such a protocol is presented within the framework of complete and restricted active space self-consistent field theory and its second-order perturbation theory extensions. The electronic excited states of adenine have been carefully characterized through a previously presented computational recipe [Nenov et al., Comput. Theor. Chem. 1040–1041, 295-303 (2014)]. A wise reduction of the level of theory has then been performed in order to obtain a computationally less demanding approach that is still able to reproduce the characteristic features of the reference data. Foreseeing the potentiality of 2D electronic spectroscopy to track polynucleotide ground and excited state dynamics, and in particular its expected ability to provide

  1. Electronic and optical properties of Fe, Pd, and Ti studied by reflection electron energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tahir, Dahlang [Department of Physics, Hasanuddin University, Makassar 90245 (Indonesia); Kraaer, Jens; Tougaard, Sven [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, DK-5230 Odense M (Denmark)

    2014-06-28

    We have studied the electronic and optical properties of Fe, Pd, and Ti by reflection electron energy-loss spectroscopy (REELS). REELS spectra recorded for primary energies in the range from 300 eV to 10 keV were corrected for multiple inelastically scattered electrons to determine the effective inelastic-scattering cross section. The dielectric functions and optical properties were determined by comparing the experimental inelastic-electron scattering cross section with a simulated cross section calculated within the semi-classical dielectric response model in which the only input is Im(−1/ε) by using the QUEELS-ε(k,ω)-REELS software package. The complex dielectric functions ε(k,ω), in the 0–100 eV energy range, for Fe, Pd, and Ti were determined from the derived Im(−1/ε) by Kramers-Kronig transformation and then the refractive index n and extinction coefficient k. The validity of the applied model was previously tested and found to give consistent results when applied to REELS spectra at energies between 300 and 1000 eV taken at widely different experimental geometries. In the present paper, we provide, for the first time, a further test on its validity and find that the model also gives consistent results when applied to REELS spectra in the full range of primary electron energies from 300 eV to 10000 eV. This gives confidence in the validity of the applied method.

  2. Practical spatial resolution of electron energy loss spectroscopy in aberration corrected scanning transmission electron microscopy.

    Science.gov (United States)

    Shah, A B; Ramasse, Q M; Wen, J G; Bhattacharya, A; Zuo, J M

    2011-08-01

    The resolution of electron energy loss spectroscopy (EELS) is limited by delocalization of inelastic electron scattering rather than probe size in an aberration corrected scanning transmission electron microscope (STEM). In this study, we present an experimental quantification of EELS spatial resolution using chemically modulated 2×(LaMnO(3))/2×(SrTiO(3)) and 2×(SrVO(3))/2×(SrTiO(3)) superlattices by measuring the full width at half maxima (FWHM) of integrated Ti M(2,3), Ti L(2,3), V L(2,3), Mn L(2,3), La N(4,5), La N(2,3) La M(4,5) and Sr L(3) edges over the superlattices. The EELS signals recorded using large collection angles are peaked at atomic columns. The FWHM of the EELS profile, obtained by curve-fitting, reveals a systematic trend with the energy loss for the Ti, V, and Mn edges. However, the experimental FWHM of the Sr and La edges deviates significantly from the observed experimental tendency.

  3. Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira da Silva, F.; Lange, E. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Limão-Vieira, P., E-mail: plimaovieira@fct.unl.pt, E-mail: michael.brunger@flinders.edu.au, E-mail: maplima@ifi.unicamp.br [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Århus C (Denmark); Hubin-Franskin, M.-J.; Delwiche, J. [Départment de Chimie, Institut de Chimie-Bât. B6C, Université de Liège, B-4000 Liège 1 (Belgium); Brunger, M. J., E-mail: plimaovieira@fct.unl.pt, E-mail: michael.brunger@flinders.edu.au, E-mail: maplima@ifi.unicamp.br [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); and others

    2015-10-14

    The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5–10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.

  4. Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

    Science.gov (United States)

    Ferreira da Silva, F.; Lange, E.; Limão-Vieira, P.; Jones, N. C.; Hoffmann, S. V.; Hubin-Franskin, M.-J.; Delwiche, J.; Brunger, M. J.; Neves, R. F. C.; Lopes, M. C. A.; de Oliveira, E. M.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Blanco, F.; García, G.; Lima, M. A. P.; Jones, D. B.

    2015-10-01

    The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5-10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.

  5. Electronic spectroscopy and electronic structure of the smallest metal clusters: the diatomic 3D transition metal aluminides

    Science.gov (United States)

    Behm, Jane M.; Morse, Michael D.

    1994-06-01

    A systematic study of the electronic spectroscopy, electronic structure, and chemical bonding has been initiated for the 3d series of diatomic transition metal aluminides. This report provides a review of the progress to date, with specific emphasis on AlCa, AlV, AlCr, AlMn, AlCo, AlNi, AlCu, and AlZn.

  6. Mode conversion and electron heating near the upper hybrid resonance frequency

    Energy Technology Data Exchange (ETDEWEB)

    Smith, B.L.; Okuda, H.; Abe, H.

    1983-11-01

    Mode conversion near the upper hybrid resonance frequency and electron heating are studied using a one-dimensional electromagnetic relativistic particle code. It is found that for a sufficiently small pump field E/sub 0/, E/sub 0//sup 2//4..pi..nT/sub e/ less than or equal to 0.01, electron heating is localized in a region near the electron cyclotron layer where the pump frequency is equal to the local electron gyrofrequency. For stronger pump fields, electron heating takes place more or less uniformly across a region between the upper hybrid resonance layer and the cyclotron layer. In addition, a significant fraction of electromagnetic energy associated with the pump is found to be reflected back into the vacuum from a region in the plasma near the upper hybrid resonance layer for both strong (E/sub 0//sup 2//4..pi..nT/sub e/ approx. = 1) and weak pumps (E/sub 0//sup 2//4..pi..nT/sub e/ << 1).

  7. Conversion of stacking fault tetrahedra to voids in electron irradiated Fe-Cr-Ni

    Science.gov (United States)

    Kojima, S.; Sano, Y.; Yoshiie, T.; Yoshida, N.; Kiritani, M.

    1986-11-01

    Electron irradiations of the austenitic Fe-13Cr-14Ni alloy were performed with a high voltage electron microscope at temperatures between room temperature and 650 K. Formation of stacking fault tetrahedra, voids and dislocation loops was observed as vacancy clusters. At the lower temperatures, the dominant vacancy clusters were tetrahedra and at the higher temperatures, voids were dominant. In the temperature range at which both tetrahedra and voids were coexistent, conversion of tetrahedra to voids were observed. These results are interpreted as the preferable nucleation of voids at the site of tetrahedra. Local effects of dilatation field at the corner of tetrahedra and the segregation of solute atoms are considered to enhance the nucleation. Clustered defects which are considered to be stacking fault tetrahedra that are formed with D-T fusion neutrons in SUS 316 stainless steel are suggested as the preferable site for void nucleation.

  8. Electronic properties of Mn-phthalocyanine–C{sub 60} bulk heterojunctions: Combining photoemission and electron energy-loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Friedrich [Center for Free-Electron Laser Science/DESY, Notkestraße 85, D-22607 Hamburg (Germany); Herzig, Melanie; Knupfer, Martin [FW Dresden, P.O. Box 270116, D-01171 Dresden (Germany); Lupulescu, Cosmin [Institute of Optics and Atomic Physics, TU Berlin, Straße des 17. Juni 135, D-10623 Berlin (Germany); Darlatt, Erik; Gottwald, Alexander [Physikalisch-Technische Bundesanstalt (PTB), Abbestraße 2-12, D-10587 Berlin (Germany); Eberhardt, Wolfgang [Center for Free-Electron Laser Science/DESY, Notkestraße 85, D-22607 Hamburg (Germany); Institute of Optics and Atomic Physics, TU Berlin, Straße des 17. Juni 135, D-10623 Berlin (Germany)

    2015-11-14

    The electronic properties of co-evaporated mixtures (blends) of manganese phthalocyanine and the fullerene C{sub 60} (MnPc:C{sub 60}) have been studied as a function of the concentration of the two constituents using two supplementary electron spectroscopic methods, photoemission spectroscopy (PES) and electron energy-loss spectroscopy (EELS) in transmission. Our PES measurements provide a detailed picture of the electronic structure measured with different excitation energies as well as different mixing ratios between MnPc and C{sub 60}. Besides a relative energy shift, the occupied electronic states of the two materials remain essentially unchanged. The observed energy level alignment is different compared to that of the related CuPc:C{sub 60} bulk heterojunction. Moreover, the results from our EELS investigations show that, despite the rather small interface interaction, the MnPc related electronic excitation spectrum changes significantly by admixing C{sub 60} to MnPc thin films.

  9. Electronic properties of Mn-phthalocyanine-C60 bulk heterojunctions: Combining photoemission and electron energy-loss spectroscopy

    Science.gov (United States)

    Roth, Friedrich; Herzig, Melanie; Lupulescu, Cosmin; Darlatt, Erik; Gottwald, Alexander; Knupfer, Martin; Eberhardt, Wolfgang

    2015-11-01

    The electronic properties of co-evaporated mixtures (blends) of manganese phthalocyanine and the fullerene C60 (MnPc:C60) have been studied as a function of the concentration of the two constituents using two supplementary electron spectroscopic methods, photoemission spectroscopy (PES) and electron energy-loss spectroscopy (EELS) in transmission. Our PES measurements provide a detailed picture of the electronic structure measured with different excitation energies as well as different mixing ratios between MnPc and C60. Besides a relative energy shift, the occupied electronic states of the two materials remain essentially unchanged. The observed energy level alignment is different compared to that of the related CuPc:C60 bulk heterojunction. Moreover, the results from our EELS investigations show that, despite the rather small interface interaction, the MnPc related electronic excitation spectrum changes significantly by admixing C60 to MnPc thin films.

  10. Electron energy-loss and soft X-ray emission spectroscopy of electronic structure of MgB4

    Science.gov (United States)

    Sato, Yohei; Saito, Taiki; Tsuchiya, Kohei; Terauchi, Masami; Saito, Hiroki; Takeda, Masatoshi

    2017-09-01

    The electronic structure of MgB4, with the characteristic crystal structure comprising one-dimensional pentagonal B6 cluster chain, was investigated using electron energy-loss spectroscopy and soft X-ray emission spectroscopy based on transmission electron microscopy. The dielectric function and density of state of unoccupied and occupied states were clarified experimentally for the first time. Although theoretical calculations has predicted MgB4 to be a semiconductor, the electron energy-loss spectrum in this study show a plasmon peak at 0.4 eV, which might be due to carrier electrons. Theoretical calculations suggested that the electronic states near the Fermi energy are localized along the one dimensional B6 cluster chain. Therefore, one-dimensional electric conductivity is expected.

  11. Angle-Resolved Photoemission Spectroscopy on Electronic Structure and Electron-Phonon Coupling in Cuprate Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, X.J.

    2010-04-30

    In addition to the record high superconducting transition temperature (T{sub c}), high temperature cuprate superconductors are characterized by their unusual superconducting properties below T{sub c}, and anomalous normal state properties above T{sub c}. In the superconducting state, although it has long been realized that superconductivity still involves Cooper pairs, as in the traditional BCS theory, the experimentally determined d-wave pairing is different from the usual s-wave pairing found in conventional superconductors. The identification of the pairing mechanism in cuprate superconductors remains an outstanding issue. The normal state properties, particularly in the underdoped region, have been found to be at odd with conventional metals which is usually described by Fermi liquid theory; instead, the normal state at optimal doping fits better with the marginal Fermi liquid phenomenology. Most notable is the observation of the pseudogap state in the underdoped region above T{sub c}. As in other strongly correlated electrons systems, these unusual properties stem from the interplay between electronic, magnetic, lattice and orbital degrees of freedom. Understanding the microscopic process involved in these materials and the interaction of electrons with other entities is essential to understand the mechanism of high temperature superconductivity. Since the discovery of high-T{sub c} superconductivity in cuprates, angle-resolved photoemission spectroscopy (ARPES) has provided key experimental insights in revealing the electronic structure of high temperature superconductors. These include, among others, the earliest identification of dispersion and a large Fermi surface, an anisotropic superconducting gap suggestive of a d-wave order parameter, and an observation of the pseudogap in underdoped samples. In the mean time, this technique itself has experienced a dramatic improvement in its energy and momentum resolutions, leading to a series of new discoveries not

  12. Bandgap determination of P(VDF–TrFE) copolymer film by electron energy loss spectroscopy

    Indian Academy of Sciences (India)

    Dipankar Mandal; K Henkel; K Müller; D Schmeißer

    2010-08-01

    The ferroelectric of poly(vinylidene fluoride trifluoroethylene), P(VDF–TrFE) is confirmed for 100 nm thickness spin coated copolymer film. The homogeneous coverage of the copolymer film is investigated by the help of X-ray photoelectron spectroscopy (XPS). Most importantly, the existing bandgap in the crystalline phase of the copolymer is determined directly from the electron energy loss spectroscopy (EELS).

  13. Scanning electron microscopy and X-ray spectroscopy applied to mycelial phase of sporothrix schenckii

    Directory of Open Access Journals (Sweden)

    M. Thibaut

    1975-04-01

    Full Text Available Scanning electron microscopy applied to the mycelial phase of Sporothrix schenckii shows a matted mycelium with conidia of a regular pattern. X-Ray microanalysis applied in energy dispersive spectroscopy and also in wavelength dispersive spectroscopy reveals the presence of several elements of Mendeleef's classification.

  14. Ejected-electron spectroscopy of autoionizing resonances of helium excited by fast-electron impact

    Science.gov (United States)

    Zhang, Zhe; Shan, Xu; Wang, Enliang; Chen, Xiangjun

    2012-06-01

    The autoionizing resonances (2s2)1S, (2p2)1D, and (2s2p)1P of helium have been investigated employing ejected-electron spectroscopy by fast-electron impact at incident energies of 250-2000 eV and ejected angles of 26°-116°. Shore parameters of the line shapes for these three resonances have been obtained in such high incident energy regime except at 250 eV. Distinct discrepancies between the present results at 250 eV and those of McDonald and Crowe at 200 eV [D. G. McDonald and A. Crowe, J. Phys. BJPAMA40953-407510.1088/0953-4075/25/9/018 25, 2129 (1992); D. G. McDonald and A. Crowe, J. Phys. BJPAMA40953-407510.1088/0953-4075/25/20/024 25, 4313 (1992)] and Sise at 250 eV [O. Sise, M. Dogan, I. Okur, and A. Crowe, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.84.022705 84, 022705 (2011)], especially for 1D and 1P states, are also observed.

  15. The applications of in situ electron energy loss spectroscopy to the study of electron beam nanofabrication.

    Science.gov (United States)

    Chen, Shiahn J; Howitt, David G; Gierhart, Brian C; Smith, Rosemary L; Collins, Scott D

    2009-06-01

    An in situ electron energy loss spectroscopy (EELS) technique has been developed to investigate the dynamic processes associated with electron-beam nanofabrication on thin membranes. In this article, practical applications germane to e-beam nanofabrication are illustrated with a case study of the drilling of nanometer-sized pores in silicon nitride membranes. This technique involves successive acquisitions of the plasmon-loss and the core-level ionization-loss spectra in real time, both of which provide the information regarding the hole-drilling kinetics, including two respective rates for total mass loss, individual nitrogen and silicon element depletion, and the change of the atomic bonding environment. In addition, the in situ EELS also provides an alternative method for endpoint detection with a potentially higher time resolution than by imaging. On the basis of the time evolution of in situ EELS spectra, a qualitative working model combining knock-on sputtering, irradiation-induced mass transport, and phase separation can be proposed.

  16. A crystal detector for measuring beta and internal conversion electrons in flowing air containing fission gases

    Science.gov (United States)

    Schell, W. R.; Vives-Batlle, J.; Yoon, S. R.; Tobin, M. J.

    1999-02-01

    Low levels of radioactive gases are released from nuclear electric power generation, nuclear fuel reprocessing plants, nuclear weapons tests and from diagnostic medical uses of radioactive gas tracers. A prototype model of an inorganic scintillator - Crystal Gas Electron Detector (CGED) - was built for measurements of xenon isotopes in-line by detecting the beta and internal conversion (IC) electrons present in atmospheric samples. The detection and quantification of the radionuclide spectra are accomplished, during air flow, without complete purification of the fission gases. Initial operational tests and calibrations made permit the integration of the CGED into a portable Gas Analysis, Separation and Purification (GASP) system [1-3]. The CGED detector, Pulse Shaping and Timing (PSA) electronics, and mathematical treatment of the accumulated spectra are used to resolve the K and LMNO-IC electrons and beta continuum. These data are used, in-line, for dating the age of an air parcel containing fission gases released from nuclear reactors and/or from nuclear weapons tests, as part of the monitoring equipment required to enforce the Comprehensive Test Ban Treaty, CTBT. This report is one of a series of papers providing the design features, operational methods, calibration, and applications of radioactive gas analysis system to the International CTBT.

  17. Suprathermal electron production in laser-irradiated Cu targets characterized by combined methods of x-ray imaging and spectroscopy

    Science.gov (United States)

    Renner, O.; Šmíd, M.; Batani, D.; Antonelli, L.

    2016-07-01

    In a series of experiments performed with laser-irradiated planar targets at the PALS laser facility, the generation of suprathermal electrons has been studied at conditions relevant for the development of a shock ignition approach to inertial confinement fusion. A simultaneous application of high-collection-efficiency K-shell imaging with high resolution x-ray spectroscopy offers a novel approach to hot electron diagnosis at non-coated or moderately coated, medium-atomic-number targets, where the contribution of suprathermal-electron-generated, frequency-shifted Kα emission from highly ionized atoms cannot be neglected. Based on experimental data provided by these combined techniques and their interpretation via collisional-radiative atomic codes and Monte Carlo modeling of hot electron energy deposition in heated Cu targets, the fraction of the energy converted to hot electrons at laser intensities  ≈1016 W cm-2 was measured to be at the level of 0.1-0.8%. The higher values of conversion efficiency found for frequency tripled radiation support a theoretical conjecture of enhanced laser energy absorption by a resonance mechanism and its transport to a flow of fast electrons.

  18. Nanoscale triboelectric-effect-enabled energy conversion for sustainably powering portable electronics.

    Science.gov (United States)

    Wang, Sihong; Lin, Long; Wang, Zhong Lin

    2012-12-12

    Harvesting energy from our living environment is an effective approach for sustainable, maintenance-free, and green power source for wireless, portable, or implanted electronics. Mechanical energy scavenging based on triboelectric effect has been proven to be simple, cost-effective, and robust. However, its output is still insufficient for sustainably driving electronic devices/systems. Here, we demonstrated a rationally designed arch-shaped triboelectric nanogenerator (TENG) by utilizing the contact electrification between a polymer thin film and a metal thin foil. The working mechanism of the TENG was studied by finite element simulation. The output voltage, current density, and energy volume density reached 230 V, 15.5 μA/cm(2), and 128 mW/cm(3), respectively, and an energy conversion efficiency as high as 10-39% has been demonstrated. The TENG was systematically studied and demonstrated as a sustainable power source that can not only drive instantaneous operation of light-emitting diodes (LEDs) but also charge a lithium ion battery as a regulated power module for powering a wireless sensor system and a commercial cell phone, which is the first demonstration of the nanogenerator for driving personal mobile electronics, opening the chapter of impacting general people's life by nanogenerators.

  19. Dose-rate conversion factors for external exposure to photons and electrons

    Energy Technology Data Exchange (ETDEWEB)

    Kocher, D.C.

    1981-08-01

    Dose-rate conversion factors for external exposure to photons and electrons have been calculated for approximately 500 radionuclides of potential importance in environmental radiological assessments. The dose-rate factors were obtained using the DOSFACTER computer code. The results given in this report incorporate calculation of electron dose-rate factors for radiosensitive tissues of the skin, improved estimates of organ dose-rate factors for photons, based on organ doses for monoenergetic sources at the body surface of an exposed individual, and the spectra of scattered photons in air from monoenergetic sources in an infinite, uniformly contaminated atmospheric cloud, calculation of dose-rate factors for other radionuclides in addition to those of interest in the nuclear fuel cycle, and incorporation of updated radioactive decay data for all radionuclides. Dose-rate factors are calculated for three exposure modes - immersion in contaminated air, immersion in contaminated water, and exposure at a height of 1 m above a contaminated ground surface. The report presents the equations used to calculate the external dose-rate factors for photons and electrons, documentation of the revised DOSFACTER computer code, and a complete tabulation of the calculated dose-rate factors. 30 refs., 12 figs.

  20. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    Science.gov (United States)

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  1. Measurements of conversion electrons in the s-process branching point nucleus {sup 176}Lu

    Energy Technology Data Exchange (ETDEWEB)

    Battaglia, A.; Tan, W.; Avetisyan, R.; Casarella, C.; Gyurijinyan, A.; Manukyan, K.V.; Marley, S.T.; Nystrom, A.; Paul, N.; Siegl, K.; Smith, K.; Smith, M.K.; Strauss, S.Y.; Aprahamian, A. [University of Notre Dame, Department of Physics, Notre Dame, IN (United States)

    2016-05-15

    Conversion coefficients, gamma-gamma and gamma-electron coincidences were measured in the s-process branching point nucleus {sup 176}Lu. Our goal was to determine the multipolarities of the γ-ray transitions that connect the high and low K states of {sup 176}Lu. This {sup 176}Lu nucleus has a long-lived ground state (K=7{sup -}) of 37.6 Gy, a short-lived isomeric state (K=0{sup -}) at 122.8 keV with half-life of 3.6 h, as well as a 58 μs isomer at 1588 keV (K=14{sup +}). The excitation structure of this nucleus contains bands of intermediate spins of both positive and negative parities. The intermediate states can under certain stellar temperatures completely change the equilibrium between the isomer and ground state of {sup 176}Lu and change the abundance of this nucleus. We populated 37 previously known levels in this nucleus via the {sup 176}Yb(p,n) reaction and measured 42 conversion coefficients for γ-ray transitions including 17 of them for the first time. (orig.)

  2. Electronic communication in tetrathiafulvalene (TTF)/C60 systems: toward molecular solar energy conversion materials?

    Science.gov (United States)

    Martín, Nazario; Sánchez, Luis; Herranz, María Angeles; Illescas, Beatriz; Guldi, Dirk M

    2007-10-01

    The covalent connection of the electron acceptor C 60 to p-quinonoid pi-extended tetrathiafulvalenes (exTTFs) has allowed for the preparation of new photo- and electroactive conjugates able to act as artificial photosynthetic systems and active molecular materials in organic photovoltaics. The gain of aromaticity undergone by the pi-extended TTF unit in the oxidation process results in highly stabilized radical ion pairs, namely, C 60 (*-)/exTTF (*+). Lifetimes for such charge-separated states, ranging from a few nanoseconds to hundreds of microseconds, have been achieved by rationally modifying the nature of the chemical spacers. These long-lived radical pairs are called to play an important role for the conversion of sunlight into chemical or electrical power.

  3. Using the Fermilab proton source for a muon to electron conversion experiment

    Energy Technology Data Exchange (ETDEWEB)

    Ankenbrandt, C.; Bogert, D.; DeJongh, F.; Geer, S.; McGinnis, D.; Neuffer, D.; Popovic, M.; Prebys, E.; /Fermilab

    2006-11-01

    The Fermilab proton source is capable of providing 8 GeV protons for both the future long-baseline neutrino program (NuMI), and for a new program of low energy muon experiments. In particular, if the 8 GeV protons are rebunched and then slowly extracted into an external beamline, the resulting proton beam would be suitable for a muon-to-electron conversion experiment designed to improve on the existing sensitivity by three orders of magnitude. We describe a scheme for the required beam manipulations. The scheme uses the Accumulator for momentum stacking, and the Debuncher for bunching and slow extraction. This would permit simultaneous operation of the muon program with the future NuMI program, delivering 10{sup 20} protons per year at 8 GeV for the muon program at the cost of a modest ({approx}10%) reduction in the protons available to the neutrino program.

  4. One-dimensional ordinary-slow extraordinary-Bernstein mode conversion in the electron cyclotron range of frequencies

    Science.gov (United States)

    Guo, Xingyu; Gao, Zhe; Jia, Guozhang

    2017-08-01

    The ordinary-slow extraordinary-Bernstein (O-SX-B) mode conversion in the electron cyclotron range of frequencies (ECRF) is revisited in slab geometry. The analytical formula of the O-SX conversion efficiency by Mjølhus is upgraded to include the magnetic field gradient, and the analytical expression of the SX-B conversion efficiency by Ram and Schultz is generalized for the case of oblique injection. Therefore, the conversion efficiency and optimal parallel refractive index for the whole O-SX-B conversion are obtained analytically and a shift of optimal parallel refractive index due to SX-FX loss is found. Full wave calculations are also presented to be compared with the analytical results.

  5. Nanoscale mapping of optical band gaps using monochromated electron energy loss spectroscopy

    Science.gov (United States)

    Zhan, W.; Granerød, C. S.; Venkatachalapathy, V.; Johansen, K. M. H.; Jensen, I. J. T.; Kuznetsov, A. Yu; Prytz, Ø.

    2017-03-01

    Using monochromated electron energy loss spectroscopy in a probe-corrected scanning transmission electron microscope we demonstrate band gap mapping in ZnO/ZnCdO thin films with a spatial resolution below 10 nm and spectral precision of 20 meV.

  6. The Role of Electrochemical Impedance Spectroscopy in the Characterization of Electrodes and Devices for Energy Conversion and Storage

    Directory of Open Access Journals (Sweden)

    Magdić, K.

    2013-03-01

    Full Text Available This article describes the basic principles of the Electrochemical Impedance Spectroscopy, EIS, technique and its application in the characterization of electrode materials and electrochemical devices for energy conversion and storage. The concept of impedance and the necessary steps of impedance spectra analysis are explained. Basic relations for impedance of particular electro- chemical processes occurring in the system(s are derived. Electrical equivalent circuits as impedance analogues for single-cell units of electrochemical (supercapacitors, galvanic cells (batteries and fuel cells, as well as separate impedance components and parameters describing the system(s are presented and discussed. The advantages and problems in application of the EIS technique for evaluation of operating states and possible failures of these electrochemical devices are described.

  7. Unfolding the role of iron in Li-ion conversion electrode materials by {sup 57}Fe Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tirado, Jose L., E-mail: iq1ticoj@uco.es; Lavela, Pedro; Perez Vicente, Carlos; Leon, Bernardo; Vidal-Abarca, Candela [Universidad de Cordoba, Laboratorio de Quimica Inorganica (Spain)

    2012-03-15

    {sup 57}Fe Moessbauer spectroscopy is particularly useful in the study of oxide and oxalate conversion anode materials for Li-ion batteries. After reduction in lithium test cells, all these materials showed Moessbauer spectra ascribable to iron atoms in two different environments with superparamagnetic relaxation. The spectra recorded at 12 K revealed the ferromagnetic character in agreement with particle sizes of ca. 5 nm. The two types of iron can be ascribed then to surface and core atoms. Core iron atoms play an important role to retain high faradic capacity values for a large number of cycles. These atoms are preserved from irreversible reactions with the electrolyte and hence they promote a high reversibility and rate capability.

  8. Electron dynamics and intermolecular energy transfer in aqueous solutions studied by X-ray electron spectroscopy

    Science.gov (United States)

    Winter, Bernd

    2009-03-01

    X-ray photoelectron spectroscopy measurements from a vacuum liquid microjet are performed to investigate the electronic structure of aqueous solutions. Here, focus is on the excited-state dynamics of chloride and hydroxide anions in water, following core-level excitation. A series of Cl^-(aq) charge-transfer-to-solvent (CTTS) states, and their ultrafast relaxation, on the time scale of the core hole, is identified from the occurrence of spectator Auger decay. Resonant oxygen 1s excitation of aqueous hydroxide, in contrast, leads to non-local decay, involving energy transfer into a neighboring water molecule. This channel is argued to arise from the weak hydrogen donor bond of OH^-(aq), and thus identifies a special transient hydration configuration, which can explain hydroxide's unusual and fast transport in water. Analogous measurements from pure water point to a similar relaxation channel, which is concluded from a strong isotope effect. The characteristic resonance spectral features are considerably stronger for H2O(aq) than for D2O(aq). As for OH^-(aq) the results can be understood in terms of energy transfer from the excited water molecule to a neighbor water molecule.

  9. Ab initio electronic structure studies in molecular spectroscopy and chemical thermodynamics

    Science.gov (United States)

    Partridge, Harry; Bauschlicher, Charles W.; Langhoff, Stephen R.

    1994-01-01

    This article provides an overview of the principal computational approaches to the electronic structure of molecules and their applications in the areas of spectroscopy and thermodynamics. The emphasis is on techniques that include electron correlation to a high level with extended basis sets. Applications in spectroscopy include radiative lifetimes, electronic state separations, and identification of new band systems. Applications in thermodynamics are focused on C-H, O-H, metal-oxygen, and metal ion-rare-gas binding energies. Future developments of computational methods and methods of exploiting new computer hardware are expected to significantly extend the range of systems that can be treated reliably.

  10. The Electron-Phonon Interaction as Studied by Photoelectron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    D.W. Lynch

    2004-09-30

    With recent advances in energy and angle resolution, the effects of electron-phonon interactions are manifest in many valence-band photoelectron spectra (PES) for states near the Fermi level in metals.

  11. Nonlinear modeling of low-to-high-frequency noise up-conversion in microwave electron devices

    Science.gov (United States)

    Filicori, Fabio; Traverso, Pier A.; Florian, Corrado

    2003-05-01

    Measurement-based, circuit-oriented non-linear noise modeling of microwave electron devices is still an open field of research, since existing approaches are not always suitable for the accurate prediction of low-frequency noise up-conversion to RF, which represents an essential information for the non-linear circuit analyses performed in the CAD of low phase-noise oscillators. In this paper a technology-independent, empirical approach to the modeling of noise contributions at the ports of electron devices, operating under strongly non-linear conditions, is proposed. Details concerning the analytical formulation of the model, which is derived by considering randomly time-varying perturbations in the basic equations of an otherwise conventional charge-controlled non-linear model, are presented, along with a discussion about the measurement techniques devoted to its experimental characterization. An example of application of the proposed Charge-Controlled Non-linear Noise (CCNN) model is considered in the case of a HBT transistor. Techniques devoted to the implementation of the obtained model in the framework of commercial CAD tools for circuit analysis and design are provided as well.

  12. Combined in-beam electron and gamma-ray spectroscopy of (184,186)Hg

    CERN Document Server

    Scheck, M; Rahkila, P; Butler, P A; Larsen, A C; Sandzelius, M; Scholey, C; Carrol, R J; Papadakis, P; Jakobsson, U; Grahn, T; Joss, D T; Watkins, H V; Juutinen, S; Bree, N; Cox, D; Huyse, M; Uusitalo, J; Leino, M; Ruotsalainen, P; Nieminen, P; Srebrny, J; Van Duppen, P; Herzan, A; Greenlees, P T; Julin, R; Herzberg, R D; Hauschild, K; Pakarinen, J; Page, R D; Peura, P; Gaffney, L P; Kowalczyk, M; Rinta-Antila, S; Saren, J; Lopez-Martens, A; Sorri, J; Ketelhut, S

    2011-01-01

    By exploiting the SAGE spectrometer a simultaneous measurement of conversion electrons and gamma rays emitted in the de-excitation of excited levels in the neutron-deficient nuclei (184,186)Hg was performed. The light Hg isotopes under investigation were produced using the 4n channels of the fusion-evaporation reactions of (40)Ar and (148,150)Sm. The measured K- and L-conversion electron ratios confirmed the stretched E2 nature of several transitions of the yrast bands in (184,186)Hg. Additional information on the E0 component of the 2(2)(+) -> 2(1)(+) transition in (186)Hg was obtained.

  13. Silicidation in Ni/Si thin film system investigated by X-ray diffraction and Auger electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Abhaya, S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Amarendra, G. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India)]. E-mail: amar@igcar.gov.in; Kalavathi, S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Gopalan, Padma [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Kamruddin, M. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Tyagi, A.K. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Sastry, V.S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Sundar, C.S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India)

    2007-02-15

    Silicide formation induced by thermal annealing in Ni/Si thin film system has been investigated using glancing incidence X-ray diffraction (GIXRD) and Auger electron spectroscopy (AES). Silicide formation takes place at 870 K with Ni{sub 2}Si, NiSi and NiSi{sub 2} phases co-existing with Ni. Complete conversion of intermediate silicide phases to the final NiSi{sub 2} phase takes place at 1170 K. Atomic force microscopy measurements have revealed the coalescence of pillar-like structures to ridge-like structures upon silicidation. A comparison of the experimental results in terms of the evolution of various silicide phases is presented.

  14. Resolving molecular vibronic structure using high-sensitivity two-dimensional electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bizimana, Laurie A.; Brazard, Johanna; Carbery, William P.; Gellen, Tobias; Turner, Daniel B., E-mail: dturner@nyu.edu [Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003 (United States)

    2015-10-28

    Coherent multidimensional optical spectroscopy is an emerging technique for resolving structure and ultrafast dynamics of molecules, proteins, semiconductors, and other materials. A current challenge is the quality of kinetics that are examined as a function of waiting time. Inspired by noise-suppression methods of transient absorption, here we incorporate shot-by-shot acquisitions and balanced detection into coherent multidimensional optical spectroscopy. We demonstrate that implementing noise-suppression methods in two-dimensional electronic spectroscopy not only improves the quality of features in individual spectra but also increases the sensitivity to ultrafast time-dependent changes in the spectral features. Measurements on cresyl violet perchlorate are consistent with the vibronic pattern predicted by theoretical models of a highly displaced harmonic oscillator. The noise-suppression methods should benefit research into coherent electronic dynamics, and they can be adapted to multidimensional spectroscopies across the infrared and ultraviolet frequency ranges.

  15. Two-Dimensional Electronic Spectroscopy of a Model Dimer System

    Directory of Open Access Journals (Sweden)

    Prokhorenko V.I.

    2013-03-01

    Full Text Available Two-dimensional spectra of a dimer were measured to determine the timescale for electronic decoherence at room temperature. Anti-correlated beats in the crosspeaks were observed only during the period corresponding to the measured homogeneous lifetime.

  16. Electron beam imaging and spectroscopy of plasmonic nanoantenna resonances

    NARCIS (Netherlands)

    Vesseur, P.C.

    2011-01-01

    Nanoantennas are metal structures that provide strong optical coupling between a nanoscale volume and the far field. This coupling is mediated by surface plasmons, oscillations of the free electrons in the metal. Increasing the control over the resonant plasmonic field distribution opens up a wide r

  17. Cavity ring down spectroscopy with a free-electron laser

    NARCIS (Netherlands)

    Engeln, R.; van den Berg, E.; Meijer, G.; Lin, L.; Knippels, G.M.H.; van der Meer, A. F. G.

    1997-01-01

    A cavity ring down (CRD) absorption experiment is performed with a free-electron laser (FEL) operating in the 10-11 mu m region. A short infrared pulse of approximately 20 ns, sliced from the much longer FEL pulse, is used to measure CRD spectra of ethylene in two different ways. First, ''

  18. Theoretical studies on electronic structure and x-ray spectroscopies of 2D materials

    OpenAIRE

    2016-01-01

    Extraordinary chemical and physical properties have been discovered from the studies of two-dimensional (2D) materials, ever since the successful exfoliation of graphene, the first 2D material. Theoretical investigations of electronic structure and spectroscopies of these materials play a fundamental role in deep understanding the various properties. In particular, the band structure and near-edge x-ray absorption fine structure (NEXAFS) spectroscopy can provide critical information near the ...

  19. Migration to Intermediate XML for Electronic Data (MIXED: Repository of Durable File Format Conversions

    Directory of Open Access Journals (Sweden)

    René van Horik

    2011-10-01

    Full Text Available Data Archiving and Networked Services (DANS, the Dutch scientific data archive for the social sciences and humanities, is engaged in the Migration to Intermediate XML for Electronic Data (MIXED project to develop open source software that implements the smart migration strategy concerning the long-term archiving of file formats. Smart migration concerns the conversion upon ingest of specific kinds of data formats, such as spreadsheets and databases, to an intermediate XML formatted file. It is assumed that the long-term curation of the XML files is much less problematic than the migration of binary source files and that the intermediate XML file can be converted in an efficient way to file formats that are common in the future. The features of the intermediate XML files are stored in the so-called Standard Data Formats for Preservation (SDFP specification. This XML schema can be considered an umbrella as it contains existing formal descriptions of file formats developed by others. SDFP also contain schemata developed by DANS, for example, a schema for file-oriented databases. It can be used, for example, for the binary DataPerfect format, that was used on a large scale about twenty years ago, and for which no existing XML schema could be found. The software developed in the MIXED project has been set up as a generic framework, together with a number of plug-ins. It can be considered as a repository of durable file format conversions. This paper contains an overview of the results of the MIXED project.

  20. TOF Electron Energy Analyzer for Spin and Angular Resolved Photoemission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, Gennadi; Jozwiak, Chris; Andresen, Nord; Lanzara, Alessandra; Hussain, Zahid

    2008-07-09

    Current pulsed laser and synchrotron x-ray sources provide new opportunities for Time-Of- Flight (TOF) based photoemission spectroscopy to increase photoelectron energy resolution and efficiency compared to current standard techniques. The principals of photoelectron timing front formation, temporal aberration minimization, and optimization of electron beam transmission are presented. We have developed these concepts into a high resolution Electron Optical Scheme (EOS) of a TOF Electron Energy Analyzer (TOF-EEA) for photoemission spectroscopy. The EOS of the analyzer includes an electrostatic objective lens, three columns of transport lenses and a 90 degree energy band pass filter (BPF). The analyzer has two modes of operation: Spectrometer Mode (SM) with straight passage of electrons through the EOS undeflected by the BPF, allowing the entire spectrum to be measured, and Monochromator Mode (MM) in which the BPF defines a certain energy window inside the scope of the electron energy spectrum.

  1. Coincident Auger electron and recoil ion momentum spectroscopy for low-energy ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Laurent, G. E-mail: glaurent@ganil.fr; Tarisien, M.; Flechard, X.; Jardin, P.; Guillaume, L.; Sobocinski, P.; Adoui, L.; Bordenave-Montesquieu, A.; Bordenave-Montesquieu, D.; Chesnel, J.-Y.; Fremont, F.; Hennecart, D.; Lienard, E.; Maunoury, L.; Moretto-Capelle, P.; Cassimi, A

    2003-05-01

    The recoil ion momentum spectroscopy (RIMS) method combined with the detection of Auger electrons has been used successfully to analyse double electron capture following O{sup 6+} + He collisions at low impact velocities. Although RIMS and Auger spectroscopies are known to be efficient tools to obtain details on the primary processes occurring during the collision, the conjunction of both techniques provides new insights on the electron capture process. In the present experiment, triple coincidence detection of the scattered projectile, the target recoil ion and the Auger electron allows for a precise identification of the doubly excited states O{sup 4+} (1s{sup 2}nln{sup '}l{sup '}) populated after double electron-capture events.

  2. Electronic transitions in α-oligothiophene thin films. Comparison of ultraviolet/visible absorption spectroscopy and high resolution electron energy loss spectroscopy investigations

    Science.gov (United States)

    Oeter, D.; Egelhaaf, H.-J.; Ziegler, Ch.; Oelkrug, D.; Göpel, W.

    1994-10-01

    Vapor deposited thin films of a series of α-oligothiophenes are investigated comparatively with polarized ultraviolet/visible absorption spectroscopy (UV/VIS) and by high resolution electron energy loss spectroscopy (HREELS) in specular reflection geometry. The complementary selection rules of these methods allow an assignment of the observed absorption and loss bands according to a Hückel molecular orbital model. By plotting the transition energies of corresponding bands of different members of the homologous series vs the reciprocal of the number of rings, the development of the one-dimensional ``π-band-structure'' with an increasing number of rings could be followed. The extrapolation to infinite chain length leads to the electronic properties of an ideal (defect free) polythiophene. Furthermore, characteristic differences were observed in the results obtained from the two methods. The orientation of the molecules in thin films is only detectable with UV/VIS spectroscopy. It is most pronounced for α-quinquethiophene. On the other hand, HREELS gives information about the position of optical parity forbidden electronic transitions.

  3. Determination of saccharides and ethanol from biomass conversion using Raman spectroscopy: Effects of pretreatment and enzyme composition

    Energy Technology Data Exchange (ETDEWEB)

    Shih, Chien-Ju [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    This dissertation focuses on the development of facile and rapid quantitative Raman spectroscopy measurements for the determination of conversion products in producing bioethanol from corn stover. Raman spectroscopy was chosen to determine glucose, xylose and ethanol in complex hydrolysis and fermentation matrices. Chapter 1 describes the motives and main goals of this work, and includes an introduction to biomass, commonly used pretreatment methods, hydrolysis and fermentation reactions. The principles of Raman spectroscopy, its advantages and applications related to biomass analysis are also illustrated. Chapter 2 and 3 comprise two published or submitted manuscripts, and the thesis concludes with an appendix. In Chapter 2, a Raman spectroscopic protocol is described to study the efficiency of enzymatic hydrolysis of cellulose by measuring the main product in hydrolysate, glucose. Two commonly utilized pretreatment methods were investigated in order to understand their effect on glucose measurements by Raman spectroscopy. Second, a similar method was set up to determine the concentration of ethanol in fermentation broth. Both of these measurements are challenged by the presence of complex matrices. In Chapter 3, a quantitative comparison of pretreatment protocols and the effect of enzyme composition are studied using systematic methods. A multipeak fitting algorithm was developed to analyze spectra of hydrolysate containing two analytes: glucose and xylose. Chapter 4 concludes with a future perspective of this research area. An appendix describes a convenient, rapid spectrophotometric method developed to measure cadmium in water. This method requires relatively low cost instrumentation and can be used in microgravity, such as space shuttles or the International Space Station. This work was performed under the supervision of Professor Marc Porter while at Iowa State University. Research related to producing biofuel from bio-renewable resources, especially

  4. Determination of saccharides and ethanol from biomass conversion using Raman spectroscopy: Effects of pretreatment and enzyme composition

    Energy Technology Data Exchange (ETDEWEB)

    Shih, Chien-Ju [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    This dissertation focuses on the development of facile and rapid quantitative Raman spectroscopy measurements for the determination of conversion products in producing bioethanol from corn stover. Raman spectroscopy was chosen to determine glucose, xylose and ethanol in complex hydrolysis and fermentation matrices. Chapter 1 describes the motives and main goals of this work, and includes an introduction to biomass, commonly used pretreatment methods, hydrolysis and fermentation reactions. The principles of Raman spectroscopy, its advantages and applications related to biomass analysis are also illustrated. Chapter 2 and 3 comprise two published or submitted manuscripts, and the thesis concludes with an appendix. In Chapter 2, a Raman spectroscopic protocol is described to study the efficiency of enzymatic hydrolysis of cellulose by measuring the main product in hydrolysate, glucose. Two commonly utilized pretreatment methods were investigated in order to understand their effect on glucose measurements by Raman spectroscopy. Second, a similar method was set up to determine the concentration of ethanol in fermentation broth. Both of these measurements are challenged by the presence of complex matrices. In Chapter 3, a quantitative comparison of pretreatment protocols and the effect of enzyme composition are studied using systematic methods. A multipeak fitting algorithm was developed to analyze spectra of hydrolysate containing two analytes: glucose and xylose. Chapter 4 concludes with a future perspective of this research area. An appendix describes a convenient, rapid spectrophotometric method developed to measure cadmium in water. This method requires relatively low cost instrumentation and can be used in microgravity, such as space shuttles or the International Space Station. This work was performed under the supervision of Professor Marc Porter while at Iowa State University. Research related to producing biofuel from bio-renewable resources, especially

  5. Discrimination between washed Arabica, natural Arabica and Robusta coffees by using near infrared spectroscopy, electronic nose and electronic tongue analysis.

    Science.gov (United States)

    Buratti, Susanna; Sinelli, Nicoletta; Bertone, Elisa; Venturello, Alberto; Casiraghi, Ernestina; Geobaldo, Francesco

    2015-08-30

    The aim of this study is to investigate the feasibility of a 'holistic' approach, using near infrared (NIR) spectroscopy and electronic devices (electronic nose and electronic tongue), as instrumental tools for the classification of different coffee varieties. Analyses were performed on green coffee, on ground roasted coffee and on coffee beverage. Principal component analysis was applied on spectral and sensory data to uncover correlations between samples and variables. After variable selection, linear discriminant analysis was used to classify the samples on the basis of the three coffee classes: Robusta, natural Arabica and washed Arabica. Linear discriminant analysis demonstrates the practicability of this approach: the external test set validation performed with NIR data showed 100% of correctly classified samples. Moreover, a satisfying percentage of correct classification in cross-validation was obtained for the electronic devices: the average values of correctly classified samples were 81.83% and 78.76% for electronic nose and electronic tongue, respectively. NIR spectroscopy was shown to be a very reliable and useful tool to classify coffee samples in a fast, clean and inexpensive way compared to classical analysis, while the electronic devices could assume the role of investigating techniques to depict the aroma and taste of coffee samples. © 2014 Society of Chemical Industry.

  6. Probing Nanoscale Electronic and Magnetic Interaction with Scanning Tunneling Spectroscopy

    DEFF Research Database (Denmark)

    Bork, Jakob

    coverage the silver preferably nucleates on top of the bilayer high cobalt islands compared to directly on the Cu(111) substrate. Furthermore, the silver forms a combination of a reconstruction and a Moire pattern which is investigated with low-energy electron diraction and spectroscopic STM mapping at 6....... The heterostructure is found to have very interesting electronic properties. The d-related state from the now buried cobalt island is visible through the silver capping layer, but the silver Moire pattern modulates the spin-polarized cobalt d-related state in amplitude, energy position and width. This is related......, but the Fano line ii shape changes continuously from a dip to a peak. In the antiferromagnetic regime, inelastic spin-ip excitations reveal a splitting with a continuous increase in energy levels when pushing the atoms further together. This is supported by numerical renormalization group calculations...

  7. Photo-Induced Spin-State Conversion in Solvated Transition Metal Complexes Probed via Time-Resolved Soft X-ray Spectroscopy

    NARCIS (Netherlands)

    Huse, Nils; Kim, Tae Kyu; Jamula, Lindsey; McCusker, James K.; de Groot, Frank M. F.; Schoenlein, Robert W.

    2010-01-01

    Solution-phase photoinduced low-spin to high-spin conversion in the Fe-II polypyridyl complex [Fe(tren(py)(3))](2+) (where tren(py)3 is tris(2-pyridylmethyliminoethyl)amine) has been studied via picosecond soft X-ray spectroscopy. Following (1)A(1) -> (MLCT)-M-1 (metal-to-ligand charge transfer) exc

  8. Conversion electron measurements of 195Au using ICEBall for Nuclear Structure and Astrophysics at the University of Notre Dame

    Science.gov (United States)

    Battaglia, Anthony; Tan, Wanpeng; Aprahamian, Ani; Bauder, William; Casarella, Clark; Gurdal, Gulhan; Long, Alexander; Nystrom, Andrew; Siegl, Kevin; Smith, Karl; Smith, Mallory

    2013-10-01

    The Internal Conversion Electron Ball Array (ICEBall) consists of six Si(Li) detectors and it was recently re-comissioned at the University of Notre Dame Nuclear Science Laboratory for spectroscopic studies of heavy nuclei. For the commissioning experiment, a 16 MeV bunched proton beam was used from the FN Tandem for a (p,2n) reaction to populate low spin states of 195Au. Both conversion electrons and gamma-rays were detected in coincidence between ICEBall and a single high-purity germanium detector. A total of 14 conversion coeffcients were measured. The results will be presented and compared to previous results. This work was supported by the National Science Foundation under contract number NSF PHY-1068192. M.P. Metlay, J.X. Saladin, I.Y. Lee, and O. Dietzsch, Nucl. Instrum. Meth. A, 336, 162 (1993).

  9. Auger electron spectroscopy, secondary ion mass spectroscopy and optical characterization of a-C-H and BN films

    Science.gov (United States)

    Pouch, J. J.; Alterovitz, S. A.; Warner, J. D.

    1986-01-01

    The amorphous dielectrics a-C:H and BN were deposited on III-V semiconductors. Optical band gaps as high as 3 eV were measured for a-C:H generated by C4H10 plasmas; a comparison was made with bad gaps obtained from films prepared by CH4 glow discharges. The ion beam deposited BN films exhibited amorphous behavior with band gaps on the order of 5 eV. Film compositions were studied by Auger electron spectroscopy (AES), x-ray photoelectron spectroscopy (XPS) and secondary ion mass spectrometry (SIMS). The optical properties were characterized by ellipsometry, UV/VIS absorption, and IR reflection and transmission. Etching rates of a-C:H subjected to O2 dicharges were determined.

  10. A New Cost-Effective Multi-Drive Solution based on a Two-Stage Direct Power Electronic Conversion Topology

    DEFF Research Database (Denmark)

    Klumpner, Christian; Blaabjerg, Frede

    2002-01-01

    of a protection circuit involving twelve diodes with full voltage/current ratings used only during faulty situations, makes this topology not so attractive. Lately, two stage Direct Power Electronic Conversion (DPEC) topologies have been proposed, providing similar functionality as a matrix converter but allowing...

  11. Strong electronic correlation effects in coherent multidimensional nonlinear optical spectroscopy.

    Science.gov (United States)

    Karadimitriou, M E; Kavousanaki, E G; Dani, K M; Fromer, N A; Perakis, I E

    2011-05-12

    We discuss a many-body theory of the coherent ultrafast nonlinear optical response of systems with a strongly correlated electronic ground state that responds unadiabatically to photoexcitation. We introduce a truncation of quantum kinetic density matrix equations of motion that does not rely on an expansion in terms of the interactions and thus applies to strongly correlated systems. For this we expand in terms of the optical field, separate out contributions to the time-evolved many-body state due to correlated and uncorrelated multiple optical transitions, and use "Hubbard operator" density matrices to describe the exact dynamics of the individual contributions within a subspace of strongly coupled states, including "pure dephasing". Our purpose is to develop a quantum mechanical tool capable of exploring how, by coherently photoexciting selected modes, one can trigger nonlinear dynamics of strongly coupled degrees of freedom. Such dynamics could lead to photoinduced phase transitions. We apply our theory to the nonlinear response of a two-dimensional electron gas (2DEG) in a magnetic field. We coherently photoexcite the two lowest Landau level (LL) excitations using three time-delayed optical pulses. We identify some striking temporal and spectral features due to dynamical coupling of the two LLs facilitated by inter-Landau-level magnetoplasmon and magnetoroton excitations and compare to three-pulse four-wave-mixing (FWM) experiments. We show that these features depend sensitively on the dynamics of four-particle correlations between an electron-hole pair and a magnetoplasmon/magnetoroton, reminiscent of exciton-exciton correlations in undoped semiconductors. Our results shed light into unexplored coherent dynamics and relaxation of the quantum Hall system (QHS) and can provide new insight into non-equilibrium co-operative phenomena in strongly correlated systems.

  12. X-ray and photoelectron spectroscopy of the structure, reactivity, and electronic structure of semiconductor nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Hamad, Kimberly Sue [Univ. of California, Berkeley, CA (United States)

    2000-01-01

    Semiconductor nanocrystals are a system which has been the focus of interest due to their size dependent properties and their possible use in technological applications. Many chemical and physical properties vary systematically with the size of the nanocrystal and thus their study enables the investigation of scaling laws. Due to the increasing surface to volume ratio as size is decreased, the surfaces of nanocrystals are expected to have a large influence on their electronic, thermodynamic, and chemical behavior. In spite of their importance, nanocrystal surfaces are still relatively uncharacterized in terms of their structure, electronic properties, bonding, and reactivity. Investigation of nanocrystal surfaces is currently limited by what techniques to use, and which methods are suitable for nanocrystals is still being determined. This work presents experiments using x-ray and electronic spectroscopies to explore the structure, reactivity, and electronic properties of semiconductor (CdSe, InAs) nanocrystals and how they vary with size. Specifically, x-ray absorption near edge spectroscopy (XANES) in conjunction with multiple scattering simulations affords information about the structural disorder present at the surface of the nanocrystal. X-ray photoelectron spectroscopy (XPS) and ultra-violet photoelectron spectroscopy (UPS) probe the electronic structure in terms of hole screening, and also give information about band lineups when the nanocrystal is placed in electric contact with a substrate. XPS of the core levels of the nanocrystal as a function of photo-oxidation time yields kinetic data on the oxidation reaction occurring at the surface of the nanocrystal.

  13. X-ray and photoelectron spectroscopy of the structure, reactivity, and electronic structure of semiconductor nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Hamad, K.S.

    2000-05-01

    Semiconductor nanocrystals are a system which has been the focus of interest due to their size dependent properties and their possible use in technological applications. Many chemical and physical properties vary systematically with the size of the nanocrystal and thus their study enables the investigation of scaling laws. Due to the increasing surface to volume ratio as size is decreased, the surfaces of nanocrystals are expected to have a large influence on their electronic, thermodynamic, and chemical behavior. In spite of their importance, nanocrystal surfaces are still relatively uncharacterized in terms of their structure, electronic properties, bonding, and reactivity. Investigation of nanocrystal surfaces is currently limited by what techniques to use, and which methods are suitable for nanocrystals is still being determined. This work presents experiments using x-ray and electronic spectroscopies to explore the structure, reactivity, and electronic properties of semiconductor (CdSe, InAs) nanocrystals and how they vary with size. Specifically, x-ray absorption near edge spectroscopy (XANES) in conjunction with multiple scattering simulations affords information about the structural disorder present at the surface of the nanocrystal. X-ray photoelectron spectroscopy (XPS) and ultra-violet photoelectron spectroscopy (UPS) probe the electronic structure in terms of hole screening, and also give information about band lineups when the nanocrystal is placed in electric contact with a substrate. XPS of the core levels of the nanocrystal as a function of photo-oxidation time yields kinetic data on the oxidation reaction occurring at the surface of the nanocrystal.

  14. Electronic structure of EuN: Growth, spectroscopy, and theory

    DEFF Research Database (Denmark)

    Richter, J. H.; Ruck, B.J.; Simpson, M.

    2011-01-01

    and XES) at the nitrogen K edge are compared to several different theoretical models, namely, local spin density functional theory with Hubbard U corrections (LSDA+U), dynamic mean field theory (DMFT) in the Hubbard-I approximation, and quasiparticle self-consistent GW (QSGW) calculations. The DMFT...... close to the metal-insulator boundary, where the close proximity to the Fermi level of an empty Eu 4f multiplet raises the possibility of tuning both the magnetic and electronic states in this system....

  15. Electron Paramagnetic Resonance Imaging and Spectroscopy of Polydopamine Radicals.

    Science.gov (United States)

    Mrówczyński, Radosław; Coy, L Emerson; Scheibe, Błażej; Czechowski, Tomasz; Augustyniak-Jabłokow, Maria; Jurga, Stefan; Tadyszak, Krzysztof

    2015-08-13

    A thorough investigation of biomimetic polydopamine (PDA) by Electron Paramagnetic Resonance (EPR) is shown. In addition, temperature dependent spectroscopic EPR data are presented in the range 3.8-300 K. Small discrepancies in magnetic susceptibility behavior are observed between previously reported melanin samples. These variations were attributed to thermally acitivated processes. More importantly, EPR spatial-spatial 2D imaging of polydopamine radicals on a phantom is presented for the first time. In consequence, a new possible application of polydopamine as EPR imagining marker is addressed.

  16. Electronic spectroscopy of lumiflavin in superfluid helium nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Vdovin, Alexander [Institut für Physikalische and Theoretische Chemie, Universität Regensburg, 93053 Regensburg (Germany); Philips Research, High Tech Campus 34, 5656 Eindhoven (Netherlands); Slenczka, Alkwin [Institut für Physikalische and Theoretische Chemie, Universität Regensburg, 93053 Regensburg (Germany); Dick, Bernhard, E-mail: bernhard.dick@chemie.uni-regensburg.de [Institut für Physikalische and Theoretische Chemie, Universität Regensburg, 93053 Regensburg (Germany)

    2013-08-30

    Highlights: ► We present the first electronic spectra of a flavin compound in a molecular beam. ► The low temperature of He-droplets (370 mK) permits high vibrational resolution. ► Vibrational frequencies of S{sub 0} and S{sub 1} agree well with quantum chemical calculations. ► These data can serve as reference for simulations on flavin containing enzymes. - Abstract: We present the fluorescence excitation and dispersed emission spectra of lumiflavin doped into superfluid He nanodroplets. Both spectra show well resolved vibrational structure. The electronic origin transition at 21511 cm{sup −1} is the strongest line in both spectra. Quantum chemical calculations with DFT and CASSCF methods support the assignment of S{sub 1} to a ππ{sup ∗} excited state. We obtain vibrational frequencies in the ground and lowest excited singlet state that can serve to test the validity of quantum chemical calculations. Multidimensional Franck–Condon factors are in good agreement with the intensities within the vibrational structure for S{sub 0} and S{sub 1}. The strongest progression forming mode has a frequency of 164 cm{sup −1} in both states and is assigned to an in-plane bending mode of the whole flavin chromophore with a large amplitude on the two methyl groups at ring I.

  17. Imaging electron dynamics with time- and angle-resolved photoelectron spectroscopy

    CERN Document Server

    Popova-Gorelova, Daria; Santra, Robin

    2016-01-01

    We theoretically study how time- and angle-resolved photoemission spectroscopy can be applied for imaging coherent electron dynamics in molecules. We consider a process in which a pump pulse triggers coherent electronic dynamics in a molecule by creating a valence electron hole. An ultrashort extreme ultraviolet (XUV) probe pulse creates a second electron hole in the molecule. Information about the electron dynamics is accessed by analyzing angular distributions of photoemission probabilities at a fixed photoelectron energy. We demonstrate that a rigorous theoretical analysis, which takes into account the indistinguishability of transitions induced by the ultrashort, broadband probe pulse and electron hole correlation effects, is necessary for the interpretation of time- and angle-resolved photoelectron spectra. We show how a Fourier analysis of time- and angle-resolved photoelectron spectra from a molecule can be applied to follow its electron dynamics by considering photoelectron distributions from an indol...

  18. Electronic spectroscopy of lumiflavin in superfluid helium nanodroplets

    Science.gov (United States)

    Vdovin, Alexander; Slenczka, Alkwin; Dick, Bernhard

    2013-08-01

    We present the fluorescence excitation and dispersed emission spectra of lumiflavin doped into superfluid He nanodroplets. Both spectra show well resolved vibrational structure. The electronic origin transition at 21511 cm-1 is the strongest line in both spectra. Quantum chemical calculations with DFT and CASSCF methods support the assignment of S1 to a ππ∗ excited state. We obtain vibrational frequencies in the ground and lowest excited singlet state that can serve to test the validity of quantum chemical calculations. Multidimensional Franck-Condon factors are in good agreement with the intensities within the vibrational structure for S0 and S1. The strongest progression forming mode has a frequency of 164 cm-1 in both states and is assigned to an in-plane bending mode of the whole flavin chromophore with a large amplitude on the two methyl groups at ring I.

  19. Anisotropic plasmons, excitons, and electron energy loss spectroscopy of phosphorene

    Science.gov (United States)

    Ghosh, Barun; Kumar, Piyush; Thakur, Anmol; Chauhan, Yogesh Singh; Bhowmick, Somnath; Agarwal, Amit

    2017-07-01

    In this article, we explore the anisotropic electron energy loss spectrum (EELS) in monolayer phosphorene based on ab initio time-dependent density-functional-theory calculations. Similarly to black phosphorus, the EELS of undoped monolayer phosphorene is characterized by anisotropic excitonic peaks for energies in the vicinity of the band gap and by interband plasmon peaks for higher energies. On doping, an additional intraband plasmon peak also appears for energies within the band gap. Similarly to other two-dimensional systems, the intraband plasmon peak disperses as ωpl∝√{q } in both the zigzag and armchair directions in the long-wavelength limit and deviates for larger wave vectors. The anisotropy of the long-wavelength plasmon intraband dispersion is found to be inversely proportional to the square root of the ratio of the effective masses: ωpl(q y ̂) /ωpl(q x ̂) =√{mx/my } .

  20. 48-Channel electron detector for photoemission spectroscopy and microscopy

    Science.gov (United States)

    Gregoratti, L.; Barinov, A.; Benfatto, E.; Cautero, G.; Fava, C.; Lacovig, P.; Lonza, D.; Kiskinova, M.; Tommasini, R.; Mähl, S.; Heichler, W.

    2004-01-01

    We show that it is possible to use a multichannel electron detector in a zone plate based photoemission spectromicroscopy in a snap shot mode to reduce the total acquisition time for a given counting time by 50% relative to the standard scanning mode while preserving the feature of the spectra. We describe the result of tests performed at Elettra using its microbeam (150 nm) together with a 48-channel detector designed for the PHOIBOS 100 analyzer optimized for extremely small x-ray sources. We also give a short summary of the technical features of the detector and describe one possible calibration procedure for its use in the snap shot mode. We show initial results from using this device to perform chemical maps of surfaces at a resolution of 150 nm.

  1. 'Shake-off' account of effects from a Beta-decay at determination of internal conversion coefficients due to secondary electron radiation

    CERN Document Server

    Mitrokhovich, N F

    2002-01-01

    By means of selection coincidence of gamma-quantum with the secondary electrons (e sub o -electrons) and beta-particles (gamma beta e sub 0 -coincidences) and special geometry of measurements the formation of e sub o -electrons from electrons of 'shake-off' accompanying beta-decay is chosen and its output is determined. Influence of this additional source of e sub o -electrons formation on the accuracy of the internal conversion coefficient determination is estimated, when the output of e sub o -electrons from electrons of conversion is defined on the output of e sub o -electrons from beta-particles.

  2. Elucidating energy and electron transfer dynamics within molecular assemblies for solar energy conversion

    Science.gov (United States)

    Morseth, Zachary Aaron

    The use of sunlight to make chemical fuels (i.e. solar fuels) is an attractive approach in the quest to develop sustainable energy sources. Using nature as a guide, assemblies for artificial photosynthesis will need to perform multiple functions. They will need to be able to harvest light across a broad region of the solar spectrum, transport excited-state energy to charge-separation sites, and then transport and store redox equivalents for use in the catalytic reactions that produce chemical fuels. This multifunctional behavior will require the assimilation of multiple components into a single macromolecular system. A wide variety of different architectures including porphyrin arrays, peptides, dendrimers, and polymers have been explored, with each design posing unique challenges. Polymer assemblies are attractive due to their relative ease of production and facile synthetic modification. However, their disordered nature gives rise to stochastic dynamics not present in more ordered assemblies. The rational design of assemblies requires a detailed understanding of the energy and electron transfer events that follow light absorption, which can occur on timescales ranging from femtoseconds to hundreds of microseconds, necessitating the use of sophisticated techniques. We have used a combination of time-resolved absorption and emission spectroscopies with observation times that span nine orders of magnitude to follow the excited-state evolution within single-site and polymer-based molecular assemblies. We complement experimental observations with electronic structure calculations, molecular dynamics simulations, and kinetic modeling to develop a microscopic view of these dynamics. This thesis provides an overview of work on single-site molecular assemblies and polymers decorated with pendant chromophores, both in solution and on surfaces. This work was made possible through extensive collaboration with Dr. Kirk Schanze's and Dr. John Reynolds' research groups who

  3. Using Electron Paramagnetic Resonance Spectroscopy To Facilitate Problem Solving in Pharmaceutical Research and Development.

    Science.gov (United States)

    Mangion, Ian; Liu, Yizhou; Reibarkh, Mikhail; Williamson, R Thomas; Welch, Christopher J

    2016-08-19

    As new chemical methodologies driven by single-electron chemistry emerge, process and analytical chemists must develop approaches to rapidly solve problems in this nontraditional arena. Electron paramagnetic resonance spectroscopy has been long known as a preferred technique for the study of paramagnetic species. However, it is only recently finding application in contemporary pharmaceutical development, both to study reactions and to track the presence of undesired impurities. Several case studies are presented here to illustrate its utility in modern pharmaceutical development efforts.

  4. Electronic states of Myricetin. UV-Vis polarization spectroscopy and quantum chemical calculations

    Science.gov (United States)

    Vojta, Danijela; Karlsen, Eva Marie; Spanget-Larsen, Jens

    2017-02-01

    Myricetin (3,3‧,4‧,5,5‧,7‧-hexahydroxyflavone) was investigated by linear dichroism spectroscopy on molecular samples partially aligned in stretched poly(vinyl alcohol) (PVA). At least five electronic transitions in the range 40,000-20,000 cm- 1 were characterized with respect to their wavenumbers, relative intensities, and transition moment directions. The observed bands were assigned to electronic transitions predicted with TD-B3LYP/6-31 + G(d,p).

  5. Electron transfer dynamics of triphenylamine dyes bound to TiO2 nanoparticles from femtosecond stimulated Raman spectroscopy

    KAUST Repository

    Hoffman, David P.

    2013-04-11

    Interfacial electron transfer between sensitizers and semiconducting nanoparticles is a crucial yet poorly understood process. To address this problem, we have used transient absorption (TA) and femtosecond stimulated Raman spectroscopy (FSRS) to investigate the photoexcited dynamics of a series of triphenylamine-coumarin dye/TiO2 conjugates. The TA decay is multiexponential, spanning time scales from 100 fs to 100 ps, while the characteristic transient Raman spectrum of the radical cation decays biexponentially with a dominant ∼3 ps component. To explain these observations, we propose a model in which the decay of the TA is due to hot electrons migrating from surface trap states to the conduction band of TiO 2 while the decay of the Raman signature is due to internal conversion of the dye molecule. Furthermore, the S1 Raman spectrum of TPAC3, a dye wherein a vinyl group separates the triphenylamine and coumarin moieties, is similar to the S1 Raman spectrum of trans-stilbene; we conclude that their S1 potential energy surfaces and reactivity are also similar. This correlation suggests that dyes containing vinyl linkers undergo photoisomerization that competes with electron injection. © 2013 American Chemical Society.

  6. Integration of [(Co(bpy)₃]²⁺ electron mediator with heterogeneous photocatalysts for CO₂ conversion.

    Science.gov (United States)

    Lin, Jinliang; Hou, Yidong; Zheng, Yun; Wang, Xinchen

    2014-09-01

    An efficient chemical system for electron generation and transfer is constructed by the integration of an electron mediator ([Co(bpy)3](2+); bpy=2,2'-bipyridine) with semiconductor photocatalysts. The introduction of [Co(bpy)3](2+) remarkably enhances the photocatalytic activity of pristine semiconductor photocatalysts for heterogeneous CO2 conversion; this is attributable to the acceleration of charge separation. Of particular interest is that the excellent photocatalytic activity of heterogeneous catalysts can be developed as a universal photocatalytic CO2 reduction system. The present findings clearly demonstrate that the integration of an electron mediator with semiconductors is a feasible process for the design and development of efficient photochemical systems for CO2 conversion.

  7. Structural conversion and intramolecular electron transfer in ferrocenylanthraquinones triggered by Keggin type of heteropoly acid serving as proton source

    Institute of Scientific and Technical Information of China (English)

    LIU Shuxia; LI Dehui; SU Zhongmin; WANG Enbo

    2004-01-01

    Intramolecular electron transfer triggered by proton and the mechanism of structural conversion in a ethynylene-bridged ferrocene-anthraquinone organic electron donor(D)-acceptor(A) g-conjugated system (1-FcAq) in the presence of a Keggin type heteropoly acid as proton source are discussed. Heteropoly acids can stabilize the protonated ethynylene-bridged ferrocene-anthraquinone conjugated complex, and the stable protonated complex has been isolated in air and characterized by elemental analyses, IR,1H NMR, and CV. Upon the inducement of proton, electron transfer from ferrocene moiety (Fc) to anthraquinone moiety (Aq) causes the rearrangement of the conjugated system to create a fulvene-cumulene structuere.

  8. The role of X-ray spectroscopy in understanding the geometric and electronic structure of nitrogenase.

    Science.gov (United States)

    Kowalska, Joanna; DeBeer, Serena

    2015-06-01

    X-ray absorption (XAS) and X-ray emission spectroscopy (XES) provide element specific probes of the geometric and electronic structures of metalloprotein active sites. As such, these methods have played an integral role in nitrogenase research beginning with the first EXAFS studies on nitrogenase in the late 1970s. Herein, we briefly explain the information that can be extracted from XAS and XES. We then highlight the recent applications of these methods in nitrogenase research. The influence of X-ray spectroscopy on our current understanding of the atomic structure and electronic structure of iron molybdenum cofactor (FeMoco) is emphasized. Contributions of X-ray spectroscopy to understanding substrate interactions and cluster biosynthesis are also discussed. This article is part of a Special Issue entitled: Fe/S proteins: Analysis, structure, function, biogenesis and diseases.

  9. Monte-Carlo simulation of backscattered electrons in Auger electron spectroscopy. Part 1: Backscattering factor calculation

    Energy Technology Data Exchange (ETDEWEB)

    Tholomier, M.; Vicario, E.; Doghmane, N.

    1987-10-01

    The contribution of backscattered electrons to Auger electrons yield was studied with a multiple scattering Monte-Carlo simulation. The Auger backscattering factor has been calculated in the 5 keV-60 keV energy range. The dependence of the Auger backscattering factor on the primary energy and the beam incidence angle were determined. Spatial distributions of backscattered electrons and Auger electrons are presented for a point incident beam. Correlations between these distributions are briefly investigated.

  10. Segregation Study of the β phase on the Al-Li Alloy Surface using Auger Electron Spectroscopy

    Science.gov (United States)

    Belkhiat, S.; Keraghel, F.

    2009-11-01

    Auger Electron spectroscopy (AES) has been used to study lithium segregation on Al-3.49wt%-Li alloy surface. In this work, the surface atomic composition as a function of temperature was followed. In our previous works, the activation energy of Li segregation has been determined experimentally being in agreement with the resulted theoretical value. In this paper, one showed that the segregation energy of Li on the surface depends of the crystalline structure and of the Li content in the Al-Li alloy matrix. β-AlLi phase on the alloy surface, used in the power sources for the propulsion of electrical vehicles and for stocking energy, is obtained by progressive heating. We showed that the segregated lithium on the alloy surface is reversible as a function of decreasing temperature and consequently β-AlLi phase is converted in α-AlLi phase. On the other hand, the brutal heating of the sample drives to the conversion of the α-AlLi phase to β-AlLi phase and stabilizes the surface towards other segregation; therefore the conversion of β-AlLi phase to α-AlLi phase is irreversible.

  11. New approach for correction of distortions in spectral line profiles in Auger electron spectroscopy

    NARCIS (Netherlands)

    Sasse, A.G.B.M.; Wormeester, H.; Silfhout, van A.

    1988-01-01

    A new deconvolution method for Auger electron spectroscopy is presented. This method is based on a non-linear least squares minimizing routine (Levenberg-Marquardt) and global approximation using splines, solving many of the drawbacks inherent to the Van Cittert and Fourier transform based deconvolu

  12. Continuum probe two-dimensional electronic spectroscopy of the photosystem II reaction center

    Directory of Open Access Journals (Sweden)

    Ogilvie J. P.

    2013-03-01

    Full Text Available We report two-dimensional electronic spectroscopy of the photosystem II reaction center, collected in the pump-probe geometry employing a continuum probe. This enables observation of ion bands that report on intermediates in the charge separation process.

  13. Mapping boron in silicon solar cells using electron energy-loss spectroscopy

    DEFF Research Database (Denmark)

    Duchamp, Martial; Boothroyd, Chris; Kovács, András

    2011-01-01

    Electron energy-loss spectroscopy (EELS) is used to study the B distribution in a p-i-n layered solar cell structure. The boron concentration in the p-doped Si layer is expected to be ~1021 cm−3 and should not exceed 1017 cm−3 in the neighbouring intrinsic layer. We show that B concentrations...

  14. Identification of irradiated cashew nut by electron paramagnetic resonance spectroscopy.

    Science.gov (United States)

    Sanyal, Bhaskar; Sajilata, M G; Chatterjee, Suchandra; Singhal, Rekha S; Variyar, Prasad S; Kamat, M Y; Sharma, Arun

    2008-10-01

    Cashew nut samples were irradiated at gamma-radiation doses of 0.25, 0.5, 0.75, and 1 kGy, the permissible dose range for insect disinfestation of food commodities. A weak and short-lived triplet (g = 2.004 and hfcc = 30 G) along with an anisotropic signal (g perpendicular = 2.0069 and g parallel = 2.000) were produced immediately after irradiation. These signals were assigned to that of cellulose and CO 2 (-) radicals. However, the irradiated samples showed a dose-dependent increase of the central line (g = 2.0045 +/- 0.0002). The nature of the free radicals formed during conventional processing such as thermal treatment was investigated and showed an increase in intensity of the central line (g = 2.0045) similar to that of irradiation. Characteristics of the free radicals were studied by their relaxation and thermal behaviors. The present work explores the possibility to identify irradiated cashew nuts from nonirradiated ones by the thermal behaviors of the radicals beyond the period, when the characteristic electron paramagnetic resonance spectral lines of the cellulose free radicals have essentially disappeared. In addition, this study for the first time reports that relaxation behavior of the radicals could be a useful tool to distinguish between roasted and irradiated cashew nuts.

  15. Is localized infrared spectroscopy now possible in the electron microscope?

    Science.gov (United States)

    Rez, Peter

    2014-06-01

    The recently developed in-column monochromators make it possible to record energy-c spectra with resolutions better than 30 meV from nanometer-sized regions. It should therefore in principle be possible to detect localized vibrational excitations. The scattering geometry in the electron microscope means that bond stretching in the specimen plane or longitudinal optic phonons dominate the scattering. Most promising for initial studies are vibrations with energies between 300 and 400 meV from hydrogen bonded to other atoms. Estimates of the scattering cross-sections on the basis of a simple model show that they are about the same as inner shell scattering cross-sections. Cross-sections also increase with charge transfer between the atoms, and theory incorporating realistic charge distributions shows that signal/noise is the only limitation to high-resolution imaging. Given the magnitude of the scattering cross-sections, minimizing the tail of the zero-loss peak is just as important as achieving a small-width at half-maximum. Improvements in both resolution and controlling the zero-loss tail will be necessary before it is practical to detect optic phonons in solids between 40 and 60 meV.

  16. Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy

    Science.gov (United States)

    Jobst, Johannes; van der Torren, Alexander J. H.; Krasovskii, Eugene E.; Balgley, Jesse; Dean, Cory R.; Tromp, Rudolf M.; van der Molen, Sense Jan

    2016-11-01

    High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the `chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of.

  17. Iron implantation in gadolinium gallium garnet studied by conversion-electron Moessbauer spectroscopy

    CERN Document Server

    Szucs, I; Fetzer, C; Langouche, G

    1998-01-01

    Gadolinium gallium garnet single crystals were implanted with doses of sup 5 sup 7 Fe ions in the range 8x10 sup 1 sup 5 - 6x10 sup 1 sup 6 atoms cm sup - sup 2. Depending on the dose, iron with Fe sup 2 sup + or Fe sup 3 sup + charge states was found to have formed after the implantation. After a subsequent annealing in air, the iron oxidized to Fe sup 3 sup +. The Moessbauer and channelling measurements showed lattice recrystallization taking place at 600 deg. C. After recrystallization, the iron was found to have substituted for gallium ions both at the octahedral and at the tetrahedral positions. The relative concentration of the two types of iron at the two sites shifted towards the equilibrium distribution upon high-temperature annealing. (author)

  18. In situ analysis of gas composition by electron energy-loss spectroscopy for environmental transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Crozier, Peter A., E-mail: crozier@asu.edu [School for Engineering of Matter, Transport and Energy, Arizona State University Tempe, AZ 85287-6106 (United States); Chenna, Santhosh [School for Engineering of Matter, Transport and Energy, Arizona State University Tempe, AZ 85287-6106 (United States)

    2011-02-15

    We have developed methods for using in situ electron energy-loss spectroscopy (EELS) to perform quantitative analysis of gas in an environmental transmission electron microscope. Inner-shell EELS was able to successfully determine the composition of gas mixtures with an accuracy of about 15% or better provided that some precautions are taken during the acquisition to account for the extended gas path lengths associated with the reaction cell. The unique valence-loss spectrum associated with many gases allowed simple methodologies to be developed to determine gas composition from the low-loss region of the spectrum from a gas mixture. The advantage of the valence loss approach is that it allows hydrogen to be detected and quantified. EELS allows real-time analysis of the volume of gas inside the reaction cell and can be performed rapidly with typical acquisition times of a few seconds or less. This in situ gas analysis can also be useful for revealing mass transport issues associated with the differential gas diffusion through the system. -- Research Highlights: {yields} In situ electron energy-loss spectroscopy for gas analysis in ETEM. {yields} Compositional accuracy of about 15% or better. {yields} Can use core-loss or valence loss spectroscopy. {yields} Can detect mass transport property of gas handling system.

  19. Femtosecond Spectroscopy of Electron-Lattice Coupling in LuMnO3

    Science.gov (United States)

    Lou, Shitao

    2005-03-01

    Hexagonal manganite LuMnO3 is a ferroelectric (Tc 900 K) and strongly frustrated antiferromagnetic (TN 90 K) crystal. Strong coupling between lattice, electronic, and magnetic degrees of freedom make it a promissing electronic material. We have used femtosecond pump-probe spectroscopy to observe the interaction of electron excitation and lattice vibration in real time. Optical excitation at a sharp absorption peak at 800 nm corresponding to a Mn d(x^2-y^2),(xy)->d(3z^2-r^2)transition served as the primary excitation step. Reflectivity changes as a function of delay time reveal electronic relaxation and coherent oscillations of several optical phonon modes. Electron and phonon excitation and relaxation dynamics were studied using different polarization geometries and symmetry analysis. The interaction mechanisms of photons, electrons, and coherent phonons are discussed.

  20. Monitoring of alcoholic fermentation using near infrared and mid infrared spectroscopies combined with electronic nose and electronic tongue

    Energy Technology Data Exchange (ETDEWEB)

    Buratti, S., E-mail: susanna.buratti@unimi.it [Department of Food Science and Technology, Universita degli Studi di Milano, Via Celoria 2, 20133 Milano (Italy); Ballabio, D. [Department of Environmental Sciences, University of Milano-Bicocca, Piazza della Scienza 1, 20126 Milano (Italy); Giovanelli, G. [Department of Food Science and Technology, Universita degli Studi di Milano, Via Celoria 2, 20133 Milano (Italy); Dominguez, C.M. Zuluanga [Instituto de Ciencia y Tecnologia de Alimentos, Universidad Nacional de Colombia, Ciudad Universitaria, Bogota (Colombia); Moles, A.; Benedetti, S.; Sinelli, N. [Department of Food Science and Technology, Universita degli Studi di Milano, Via Celoria 2, 20133 Milano (Italy)

    2011-07-04

    Graphical abstract: Application of non destructive methods for the monitoring of red wine fermentation in correlation with the evolution of chemical parameters. Highlights: > We monitored time-related changes in red wine fermentation process. > NIR and MIR spectroscopies, electronic nose and tongue were applied. > Data were kinetically modelled to identify critical points during fermentation. > NIR, MIR electronic nose and tongue were able to follow the fermentation process. > The models agreed with the evolution of chemical parameters. - Abstract: Effective fermentation monitoring is a growing need due to the rapid pace of change in the wine industry, which calls for fast methods providing real time information in order to assure the quality of the final product. The objective of this work is to investigate the potential of non-destructive techniques associated with chemometric data analysis, to monitor time-related changes that occur during red wine fermentation. Eight micro-fermentation trials conducted in the Valtellina region (Northern Italy) during the 2009 vintage, were monitored by a FT-NIR and a FT-IR spectrometer and by an electronic nose and tongue. The spectroscopic technique was used to investigate molecular changes, while electronic nose and electronic tongue evaluated the evolution of the aroma and taste profile during the must-wine fermentation. Must-wine samples were also analysed by traditional chemical methods in order to determine sugars (glucose and fructose) consumption and alcohol (ethanol and glycerol) production. Principal Component Analysis was applied to spectral, electronic nose and electronic tongue data, as an exploratory tool, to uncover molecular, aroma and taste modifications during the fermentation process. Furthermore, the chemical data and the PC1 scores from spectral, electronic nose and electronic tongue data were modelled as a function of time to identify critical points during fermentation. The results showed that NIR and MIR

  1. Optimization of Monochromated TEM for Ultimate Resolution Imaging and Ultrahigh Resolution Electron Energy Loss Spectroscopy

    KAUST Repository

    Lopatin, Sergei

    2017-09-01

    The performance of a monochromated transmission electron microscope with Wien type monochromator is optimized to achieve an extremely narrow energy spread of electron beam and an ultrahigh energy resolution with spectroscopy. The energy spread in the beam is improved by almost an order of magnitude as compared to specified values. The optimization involves both the monochromator and the electron energy loss detection system. We demonstrate boosted capability of optimized systems with respect to ultra-low loss EELS and sub-angstrom resolution imaging (in a combination with spherical aberration correction).

  2. Dose conversion coefficients for monoenergetic electrons incident on a realistic human eye model with different lens cell populations

    Energy Technology Data Exchange (ETDEWEB)

    Nogueira, P; Vaz, P [Technological and Nuclear Institute, Estrada Nacional No 10, 2686-953 Sacavem (Portugal); Zankl, M; Schlattl, H, E-mail: pedro.nogueira@helmholtz-muenchen.de [Helmholtz Zentrum Muenchen-German Research Center for Environmental Health, Research Unit Medical Radiation Physics and Diagnostics, Ingolstaedter Landstrasse 1, D-85764 Neuherberg (Germany)

    2011-11-07

    The radiation-induced posterior subcapsular cataract has long been generally accepted to be a deterministic effect that does not occur at doses below a threshold of at least 2 Gy. Recent epidemiological studies indicate that the threshold for cataract induction may be much lower or that there may be no threshold at all. A thorough study of this subject requires more accurate dose estimates for the eye lens than those available in ICRP Publication 74. Eye lens absorbed dose per unit fluence conversion coefficients for electron irradiation were calculated using a geometrical model of the eye that takes into account different cell populations of the lens epithelium, together with the MCNPX Monte Carlo radiation transport code package. For the cell population most sensitive to ionizing radiation-the germinative cells-absorbed dose per unit fluence conversion coefficients were determined that are up to a factor of 4.8 higher than the mean eye lens absorbed dose conversion coefficients for electron energies below 2 MeV. Comparison of the results with previously published values for a slightly different eye model showed generally good agreement for all electron energies. Finally, the influence of individual anatomical variability was quantified by positioning the lens at various depths below the cornea. A depth difference of 2 mm between the shallowest and the deepest location of the germinative zone can lead to a difference between the resulting absorbed doses of up to nearly a factor of 5000 for electron energy of 0.7 MeV.

  3. High-harmonic transient grating spectroscopy of NO2 electronic relaxation

    CERN Document Server

    Ruf, H; Ferré, A; Thiré, N; Bertrand, J B; Bonnet, L; Cireasa, R; Constant, E; Corkum, P B; Descamps, D; Fabre, B; Larregaray, P; Mével, E; Petit, S; Pons, B; Staedter, D; Wörner, H J; Villeneuve, D M; Mairesse, Y; Halvick, P; Blanchet, V

    2012-01-01

    We study theoretically and experimentally the electronic relaxation of NO2 molecules excited by absorption of one ~400 nm pump photon. Semi-classical simulations based on trajectory surface hopping calculations are performed. They predict fast oscillations of the electronic character around the intersection of the ground and first excited diabatic states. An experiment based on high-order harmonic transient grating spectroscopy reveals dynamics occuring on the same timescale. A systematic study of the detected transient is conducted to investigate the possible influence of the pump intensity, pump wavelength, and rotational temperature of the molecules. The quantitative agreement between measured and predicted dynamics shows that, in NO2, high harmonic transient grating spectroscopy encodes vibrational dynamics underlying the electronic relaxation.

  4. Photoelectron and electron momentum spectroscopy of tetrahydrofuran from a molecular dynamical perspective.

    Science.gov (United States)

    Shojaei, S H Reza; Morini, Filippo; Deleuze, Michael S

    2013-03-07

    The results of experimental studies of the valence electronic structure of tetrahydrofuran employing He I photoelectron spectroscopy as well as Electron Momentum Spectroscopy (EMS) have been reinterpreted on the basis of Molecular Dynamical simulations employing the classical MM3 force field and large-scale quantum mechanical simulations employing Born-Oppenheimer Molecular Dynamics in conjunction with the dispersion corrected ωB97XD exchange-correlation functional. Analysis of the produced atomic trajectories demonstrates the importance of thermal deviations from the lowest energy path for pseudorotation, in the form of considerable variations of the ring-puckering amplitude. These deviations are found to have a significant influence on several outer-valence electron momentum distributions, as well as on the He I photoelectron spectrum.

  5. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

    This booklet discusses spectroscopy, the study of absorption of radiation by matter, including X-ray, gamma-ray, microwave, mass spectroscopy, as well as others. Spectroscopy has produced more fundamental information to the study of the detailed structure of matter than any other tools.

  6. Scanning electron microscopy and X-ray spectroscopy applied to mycelial phase of sporothrix schenckii

    Directory of Open Access Journals (Sweden)

    M. Thibaut

    1975-04-01

    Full Text Available Scanning electron microscopy applied to the mycelial phase of Sporothrix schenckii shows a matted mycelium with conidia of a regular pattern. X-Ray microanalysis applied in energy dispersive spectroscopy and also in wavelength dispersive spectroscopy reveals the presence of several elements of Mendeleef's classification.Sporothrix schenckii foi estudado em microscopia eletrônica. Foram observados caracteres das hífas e dos esporos, vários elementos da classificação periódica foram postos em evidência graças à micro-análise a raios X.

  7. Bremsstrahlung and K(alpha) fluorescence measurements for inferring conversion efficiencies into fast ignition relevant hot electrons

    Energy Technology Data Exchange (ETDEWEB)

    Chen, C D; Patel, P K; Hey, D S; Mackinnon, A J; Key, M H; Akli, K U; Bartal, T; Beg, F N; Chawla, S; Chen, H; Freeman, R R; Higginson, D P; Link, A; Ma, T Y; MacPhee, A G; Stephens, R B; Van Woerkom, L D; Westover, B; Porkolab, M

    2009-07-24

    The Bremsstrahlung and K-shell emission from 1 mm x 1 mm x 1 mm planar targets irradiated by a short-pulse 3 x 10{sup 18}-8 x 10{sup 19} W/cm{sup 2} laser were measured. The Bremsstrahlung was measured using a filter stack spectrometer with spectral discrimination up to 500 keV. K-shell emission was measured using a single photon counting charge coupled device (CCD). From Monte Carlo modeling of the target emission, conversion efficiencies into 1-3 MeV electrons of 3-12%, representing 20-40% total conversion efficiencies were inferred for intensities up to 8 x 10{sup 19} W/cm{sup 2}. Comparisons to scaling laws using synthetic energy spectra generated from the intensity distribution of the focal spot imply slope temperatures less than the ponderomotive potential of the laser. Resistive transport effects may result in potentials of a few hundred kV in the first few tens of microns in the target. This would lead to higher total conversion efficiencies than inferred from Monte Carlo modeling but lower conversion efficiencies into 1-3 MeV electrons.

  8. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

    The three volumes of Spectroscopy constitute the one comprehensive text available on the principles, practice and applications of spectroscopy. By giving full accounts of those spectroscopic techniques only recently introduced into student courses - such as Mössbauer spectroscopy and photoelectron spectroscopy - in addition to those techniques long recognised as being essential in chemistry teaching - sucha as e.s.r. and infrared spectroscopy - the book caters for the complete requirements of undergraduate students and at the same time provides a sound introduction to special topics for graduate students.

  9. Identification of a millisecond isomeric state in Cd81129 via the detection of internal conversion and Compton electrons

    Directory of Open Access Journals (Sweden)

    J. Taprogge

    2014-11-01

    Full Text Available The decay of an isomeric state in the neutron-rich nucleus 129Cd has been observed via the detection of internal conversion and Compton electrons providing first experimental information on excited states in this nucleus. The isomer was populated in the projectile fission of a 238U beam at the Radioactive Isotope Beam Factory at RIKEN. From the measured yields of γ-rays and internal conversion electrons, a multipolarity of E3 was tentatively assigned to the isomeric transition. A half-life of T1/2=3.6(2 ms was determined for the new state which was assigned a spin of (21/2+, based on a comparison to shell model calculations performed using state-of-the-art realistic effective interactions.

  10. Identification of a millisecond isomeric state in 129Cd81via the detection of internal conversion and Compton electrons

    Energy Technology Data Exchange (ETDEWEB)

    Taprogge, J.; Jungclaus, A.; Grawe, H.; Nishimura, S.; Xu, Z. Y.; Doornenbal, P.; Lorusso, G.; Nacher, E.; Simpson, G. S.; Soderstrom, P. A.; Sumikama, T.; Kondev, F. G.

    2014-11-10

    The decay of an isomeric state in the neutron-rich nucleus 129Cd has been observed via the detection of internal conversion and Compton electrons providing first experimental information on excited states in this nucleus. The isomer was populated in the projectile fission of a 238U beam at the Radioactive Isotope Beam Factory at RIKEN. From the measured yields of γ-rays and internal conversion electrons, a multipolarity of E 3 was tentatively assigned to the isomeric transition. A half-life of T1/2=3.6(2) msT1/2=3.6(2) ms was determined for the new state which was assigned a spin of (21/2+)(21/2+), based on a comparison to shell model calculations performed using state-of-the-art realistic effective interactions.

  11. Real-Time Probing of Electron Dynamics Using Attosecond Time-Resolved Spectroscopy

    Science.gov (United States)

    Ramasesha, Krupa; Leone, Stephen R.; Neumark, Daniel M.

    2016-05-01

    Attosecond science has paved the way for direct probing of electron dynamics in gases and solids. This review provides an overview of recent attosecond measurements, focusing on the wealth of knowledge obtained by the application of isolated attosecond pulses in studying dynamics in gases and solid-state systems. Attosecond photoelectron and photoion measurements in atoms reveal strong-field tunneling ionization and a delay in the photoemission from different electronic states. These measurements applied to molecules have shed light on ultrafast intramolecular charge migration. Similar approaches are used to understand photoemission processes from core and delocalized electronic states in metal surfaces. Attosecond transient absorption spectroscopy is used to follow the real-time motion of valence electrons and to measure the lifetimes of autoionizing channels in atoms. In solids, it provides the first measurements of bulk electron dynamics, revealing important phenomena such as the timescales governing the switching from an insulator to a metallic state and carrier-carrier interactions.

  12. Investigation of nanoparticulate silicon as printed layers using scanning electron microscopy, transmission electron microscopy, X-ray absorption spectroscopy and X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Unuigbe, David M.; Harting, Margit; Jonah, Emmanuel O.; Britton, David T.; Nordlund, Dennis

    2017-08-21

    The presence of native oxide on the surface of silicon nanoparticles is known to inhibit charge transport on the surfaces. Scanning electron microscopy (SEM) studies reveal that the particles in the printed silicon network have a wide range of sizes and shapes. High-resolution transmission electron microscopy reveals that the particle surfaces have mainly the (111)- and (100)-oriented planes which stabilizes against further oxidation of the particles. X-ray absorption spectroscopy (XANES) and X-ray photoelectron spectroscopy (XPS) measurements at the O 1s-edge have been utilized to study the oxidation and local atomic structure of printed layers of silicon nanoparticles which were milled for different times. XANES results reveal the presence of the +4 (SiO2) oxidation state which tends towards the +2 (SiO) state for higher milling times. Si 2pXPS results indicate that the surfaces of the silicon nanoparticles in the printed layers are only partially oxidized and that all three sub-oxide, +1 (Si2O), +2 (SiO) and +3 (Si2O3), states are present. The analysis of the change in the sub-oxide peaks of the silicon nanoparticles shows the dominance of the +4 state only for lower milling times.

  13. Communication: Coherences observed in vivo in photosynthetic bacteria using two-dimensional electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dahlberg, Peter D. [Graduate Program in the Biophysical Sciences, Institute for Biophysical Dynamics, and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Norris, Graham J.; Wang, Cheng; Viswanathan, Subha; Singh, Ved P.; Engel, Gregory S., E-mail: gsengel@uchicago.edu [Department of Chemistry, Institute for Biophysical Dynamics, and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States)

    2015-09-14

    Energy transfer through large disordered antenna networks in photosynthetic organisms can occur with a quantum efficiency of nearly 100%. This energy transfer is facilitated by the electronic structure of the photosynthetic antennae as well as interactions between electronic states and the surrounding environment. Coherences in time-domain spectroscopy provide a fine probe of how a system interacts with its surroundings. In two-dimensional electronic spectroscopy, coherences can appear on both the ground and excited state surfaces revealing detailed information regarding electronic structure, system-bath coupling, energy transfer, and energetic coupling in complex chemical systems. Numerous studies have revealed coherences in isolated photosynthetic pigment-protein complexes, but these coherences have not been observed in vivo due to the small amplitude of these signals and the intense scatter from whole cells. Here, we present data acquired using ultrafast video-acquisition gradient-assisted photon echo spectroscopy to observe quantum beating signals from coherences in vivo. Experiments were conducted on isolated light harvesting complex II (LH2) from Rhodobacter sphaeroides, whole cells of R. sphaeroides, and whole cells of R. sphaeroides grown in 30% deuterated media. A vibronic coherence was observed following laser excitation at ambient temperature between the B850 and the B850{sup ∗} states of LH2 in each of the 3 samples with a lifetime of ∼40-60 fs.

  14. Communication: Coherences observed in vivo in photosynthetic bacteria using two-dimensional electronic spectroscopy

    Science.gov (United States)

    Dahlberg, Peter D.; Norris, Graham J.; Wang, Cheng; Viswanathan, Subha; Singh, Ved P.; Engel, Gregory S.

    2015-01-01

    Energy transfer through large disordered antenna networks in photosynthetic organisms can occur with a quantum efficiency of nearly 100%. This energy transfer is facilitated by the electronic structure of the photosynthetic antennae as well as interactions between electronic states and the surrounding environment. Coherences in time-domain spectroscopy provide a fine probe of how a system interacts with its surroundings. In two-dimensional electronic spectroscopy, coherences can appear on both the ground and excited state surfaces revealing detailed information regarding electronic structure, system-bath coupling, energy transfer, and energetic coupling in complex chemical systems. Numerous studies have revealed coherences in isolated photosynthetic pigment-protein complexes, but these coherences have not been observed in vivo due to the small amplitude of these signals and the intense scatter from whole cells. Here, we present data acquired using ultrafast video-acquisition gradient-assisted photon echo spectroscopy to observe quantum beating signals from coherences in vivo. Experiments were conducted on isolated light harvesting complex II (LH2) from Rhodobacter sphaeroides, whole cells of R. sphaeroides, and whole cells of R. sphaeroides grown in 30% deuterated media. A vibronic coherence was observed following laser excitation at ambient temperature between the B850 and the B850∗ states of LH2 in each of the 3 samples with a lifetime of ∼40-60 fs. PMID:26373989

  15. Two-dimensional electronic spectroscopy and photosynthesis: Fundamentals and applications to photosynthetic light-harvesting

    Energy Technology Data Exchange (ETDEWEB)

    Schlau-Cohen, Gabriela S.; Ishizaki, Akihito [Department of Chemistry, University of California, Berkeley, CA 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, CA 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

    2011-07-28

    Graphical abstract: 2D electronic spectroscopy, when combined with theoretical approaches, can investigate structure-function relationships in photosynthetic complexes by probing electronic energy transfer and excited state orientations. Display Omitted Highlights: {yields} We review theoretical principles and experimental implementation of 2D spectroscopy. {yields} 2DES monitors energy transfer, observes coherence, determines excited state geometry, and compares to homology models. {yields} 2DES reveals structure-function relationships in the Photosystem II supercomplex. - Abstract: In natural light harvesting systems, pigment-protein complexes are able to harvest sunlight with near unity quantum efficiency. These complexes exhibit emergent properties that cannot be simply extrapolated from knowledge of their component parts. In this perspective, we focus on how two-dimensional electronic spectroscopy (2DES) can provide an incisive tool to probe the electronic, energetic, and spatial landscapes that must be understood to describe photosynthetic light-harvesting. We review the theoretical and experimental principles of 2DES, and demonstrate its application to the study of the Photosystem II supercomplex of green plants. We illustrate several capabilities of 2DES, including monitoring energy transfer pathways, observing excitonic coherence, determining excitonic geometry, and informing on the atomic structure.

  16. Electron stimulated carbon adsorption in ultra high vacuum monitored by Auger Electron Spectroscopy (AES)

    CERN Document Server

    Scheuerlein, C

    2001-01-01

    Electron stimulated carbon adsorption at room temperature (RT) has been studied in the context of radiation induced surface modifications in the vacuum system of particle accelerators. The stimulated carbon adsorption was monitored by AES during continuous irradiation by 2.5 keV electrons and simultaneous exposure of the sample surface to CO, CO2 or CH4. The amount of adsorbed carbon was estimated by measuring the carbon Auger peak intensity as a function of the electron irradiation time. Investigated substrate materials are technical OFE copper and TiZrV non-evaporable getter (NEG) thin film coatings, which are saturated either in air or by CO exposure inside the Auger electron spectrometer. On the copper substrate electron induced carbon adsorption from gas phase CO and CO2 is below the detection limit of AES. During electron irradiation of the non-activated TiZrV getter thin films, electron stimulated carbon adsorption from gas phase molecules is detected when either CO or CO2 is injected, whereas the CH4 ...

  17. A Complete Overhaul of the Electron Energy-Loss Spectroscopy and X-Ray Absorption Spectroscopy Database: eelsdb.eu.

    Science.gov (United States)

    Ewels, Philip; Sikora, Thierry; Serin, Virginie; Ewels, Chris P; Lajaunie, Luc

    2016-06-01

    The electron energy-loss spectroscopy (EELS) and X-ray absorption spectroscopy (XAS) database has been completely rewritten, with an improved design, user interface, and a number of new tools. The database is accessible at https://eelsdb.eu/ and can now be used without registration. The submission process has been streamlined to encourage spectrum submissions and the new design gives greater emphasis on contributors' original work by highlighting their papers. With numerous new filters and a powerful search function, it is now simple to explore the database of several hundred EELS and XAS spectra. Interactive plots allow spectra to be overlaid, facilitating online comparison. An application-programming interface has been created, allowing external tools and software to easily access the information held within the database. In addition to the database itself, users can post and manage job adverts and read the latest news and events regarding the EELS and XAS communities. In accordance with the ongoing drive toward open access data increasingly demanded by funding bodies, the database will facilitate open access data sharing of EELS and XAS spectra.

  18. High-Frequency Electron Paramagnetic Resonance Spectroscopy of Nitroxide-Functionalized Nanodiamonds in Aqueous Solution.

    Science.gov (United States)

    Akiel, R D; Stepanov, V; Takahashi, S

    2016-06-21

    Nanodiamond (ND) is an attractive class of nanomaterial for fluorescent labeling, magnetic sensing of biological molecules, and targeted drug delivery. Many of those applications require tethering of target biological molecules on the ND surface. Even though many approaches have been developed to attach macromolecules to the ND surface, it remains challenging to characterize dynamics of tethered molecule. Here, we show high-frequency electron paramagnetic resonance (HF EPR) spectroscopy of nitroxide-functionalized NDs. Nitroxide radical is a commonly used spin label to investigate dynamics of biological molecules. In the investigation, we developed a sample holder to overcome water absorption of HF microwave. Then, we demonstrated HF EPR spectroscopy of nitroxide-functionalized NDs in aqueous solution and showed clear spectral distinction of ND and nitroxide EPR signals. Moreover, through EPR spectral analysis, we investigate dynamics of nitroxide radicals on the ND surface. The demonstration sheds light on the use of HF EPR spectroscopy to investigate biological molecule-functionalized nanoparticles.

  19. Simultaneous in-line monitoring of the conversion and the coating thickness in UV-cured acrylate coatings by near-infrared reflection spectroscopy.

    Science.gov (United States)

    Mirschel, Gabriele; Heymann, Katja; Scherzer, Tom

    2010-10-01

    Near-infrared (NIR) reflection spectroscopy was used for in-line analysis of the conversion and the coating thickness (5-20 μm) of UV-cured clear and pigmented acrylate coatings. The quantitative evaluation of the recorded spectra was carried out by partial least-squares (PLS) regression, in particular with the PLS2 algorithm, which allows simultaneous prediction of both parameters. The efficiency of this method was investigated in roll coating experiments at line speeds up to 100 m min(-1). It was shown that the method is able to compensate for the effect of accidental variations of the coating thickness, which inevitably occur upon changes of the line speed, on the prediction of the conversion. Accordingly, the conversion could be determined with a precision of ±2...3%, whereas the error in the measurement of the thickness was found to be about 0.5-1 μm.

  20. High-resolution electron collision spectroscopy with multicharged ions in merged beams

    Energy Technology Data Exchange (ETDEWEB)

    Lestinsky, M.

    2007-04-18

    The Heidelberg ion storage ring Tsr is currently the only ring equipped with two independent devices for the collinear merging of a cold electron beam with stored ions. This greatly improves the potential of electron-ion collision experiments, as the ion beam can be cooled with one electron beam, while the other one is used as a dedicated target for energy-resolved electron collision processes, such as recombination. The work describes the implementation of this system for rst electron collision spectroscopy experiments. A detection system has been realized including an ion detector and specroscopic beam-control software and instrumentation. Moreover, in order to improve the spectroscopic resolution systematical studies of intrinsic relaxation processes in the electron beam have been carried out. These include the dependence on the electron beam density, the magnetic guiding eld strength, and the acceleration geometry. The recombination measurements on low-lying resonances in lithiumlike Sc{sup 18+} yield a high-precision measurement of the 2s-2p{sub 3/2} transition energy in this system. Operation of the two-electron-beam setup at high collision energy ({approx}1000 eV) is established using resonances of hydrogenlike Mg{sup 11+}, while the unique possibility of modifying the beam-merging geometry con rms its importance for the electron-ion recombination rate at lowest relative energy, as demonstrated on F{sup 6+}. (orig.)

  1. Development of gamma spectroscopy employing NaI(Tl) detector 3 inch x 3 inch and readout electronic of flash-ADC/FPGA-based technology

    Energy Technology Data Exchange (ETDEWEB)

    Hai, Vo Hong [HCMC-National Univ., Hochiminh City (Viet Nam). Inst. of Nuclear Physics; Ton Duc Thang Univ., Ho Chi Minh City (Viet Nam). Div. of Nuclear Physics; Hung, Nguyen Quoc [HCMC-National Univ., Hochiminh City (Viet Nam). Inst. of Nuclear Physics; Khai, Bui Tuan [Osaka Univ. (Japan). Dept. of Physics

    2015-05-15

    n this article the development of a gamma spectroscopy system is described using a scintillation detector NaI(Tl) of 3 inch x 3 inch. The readout electronic for the spectroscopy is built from the fast analog-digital conversion of Flash Analog-Digital Converter (Flash-ADC) 250 MHz - 8 bits resolution, and the embedded Field-Programmable Gate Array (FPGA) technology. The embedded VHSIC Hardware Description Language (VHDL) code for FPGA is built in such a way that it works as a multi channel analyser (MCA) with 4096 Digital Charge Integration (DCI) channels. A pulse generator with frequency varying from Hz up to 12 kHz is used to evaluate the time response of the system. Two standard radioisotope sources of {sup 133}Ba and {sup 152}Eu with multi gamma energies ranging from several tens keV to MeV are used to evaluate the linearity and energy resolution of the system.

  2. Single-molecule spectroscopy for plastic electronics: materials analysis from the bottom-up.

    Science.gov (United States)

    Lupton, John M

    2010-04-18

    pi-conjugated polymers find a range of applications in electronic devices. These materials are generally highly disordered in terms of chain length and chain conformation, besides being influenced by a variety of chemical and physical defects. Although this characteristic can be of benefit in certain device applications, disorder severely complicates materials analysis. Accurate analytical techniques are, however, crucial to optimising synthetic procedures and assessing overall material purity. Fortunately, single-molecule spectroscopic techniques have emerged as an unlikely but uniquely powerful approach to unraveling intrinsic material properties from the bottom up. Building on the success of such techniques in the life sciences, single-molecule spectroscopy is finding increasing applicability in materials science, effectively enabling the dissection of the bulk down to the level of the individual molecular constituent. This article reviews recent progress in single molecule spectroscopy of conjugated polymers as used in organic electronics.

  3. Signatures of Herzberg-Teller coupling in three-dimensional electronic spectroscopy

    Science.gov (United States)

    Bizimana, Laurie A.; Carbery, William P.; Gellen, Tobias A.; Turner, Daniel B.

    2017-02-01

    The coupling between electronic and nuclear variables is a key consideration in molecular dynamics and spectroscopy. However, simulations that include detailed vibronic coupling terms are challenging to perform, and thus a variety of approximations can be used to model and interpret experimental results. Recent work shows that these simplified models can be inadequate. It is therefore important to understand spectroscopic signals that can identify failures of those approximations. Here we use an extended response-function method to simulate coherent three-dimensional electronic spectroscopy (3D ES) and study the sensitivity of this method to the breakdown of the Franck-Condon approximation. The simulations include a coordinate-dependent transition dipole operator that produces nodes, phase shifts, and peak patterns in 3D ES that can be used to identify Herzberg-Teller coupling. Guided by the simulation results, we interpret measurements on a molecular aggregate.

  4. Direct observation of multistep energy transfer in LHCII with fifth-order 3D electronic spectroscopy

    Science.gov (United States)

    Zhang, Zhengyang; Lambrev, Petar H.; Wells, Kym L.; Garab, Győző; Tan, Howe-Siang

    2015-07-01

    During photosynthesis, sunlight is efficiently captured by light-harvesting complexes, and the excitation energy is then funneled towards the reaction centre. These photosynthetic excitation energy transfer (EET) pathways are complex and proceed in a multistep fashion. Ultrafast two-dimensional electronic spectroscopy (2DES) is an important tool to study EET processes in photosynthetic complexes. However, the multistep EET processes can only be indirectly inferred by correlating different cross peaks from a series of 2DES spectra. Here we directly observe multistep EET processes in LHCII using ultrafast fifth-order three-dimensional electronic spectroscopy (3DES). We measure cross peaks in 3DES spectra of LHCII that directly indicate energy transfer from excitons in the chlorophyll b (Chl b) manifold to the low-energy level chlorophyll a (Chl a) via mid-level Chl a energy states. This new spectroscopic technique allows scientists to move a step towards mapping the complete complex EET processes in photosynthetic systems.

  5. Application of electron paramagnetic resonance (EPR) spectroscopy and imaging in drug delivery research - chances and challenges.

    Science.gov (United States)

    Kempe, Sabine; Metz, Hendrik; Mäder, Karsten

    2010-01-01

    Electron Paramagnetic Resonance (EPR) spectroscopy is a powerful technique to study chemical species with unpaired electrons. Since its discovery in 1944, it has been widely used in a number of research fields such as physics, chemistry, biology and material and food science. This review is focused on its application in drug delivery research. EPR permits the direct measurement of microviscosity and micropolarity inside drug delivery systems (DDS), the detection of microacidity, phase transitions and the characterization of colloidal drug carriers. Additional information about the spatial distribution can be obtained by EPR imaging. The chances and also the challenges of in vitro and in vivo EPR spectroscopy and imaging in the field of drug delivery are discussed.

  6. Determination of electronic properties of nanostructures using reflection electron energy loss spectroscopy: Nano-metalized polymer as case study

    Energy Technology Data Exchange (ETDEWEB)

    Deris, Jamileh [Department of Physics, Yasouj University, Yasouj 75918-74831 (Iran, Islamic Republic of); Hajati, Shaaker, E-mail: Hajati@mail.yu.ac.ir [Department of Physics, Yasouj University, Yasouj 75918-74831 (Iran, Islamic Republic of); Tougaard, Sven [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, 5230 Odense M (Denmark); Zaporojtchenko, Vladimir [Lehrstuhl fur Materialverbunde, Technische Fakultat der CAU, Kaiserstr 2, D-24143 Kiel (Germany)

    2016-07-30

    Highlights: • Application of reflection electron energy loss spectroscopy. • Determination of electron inelastic cross section of Nano-metalized Polymer. • Determination of energy loss function of Nano-metalized Polymer. • Determination of electron inelastic mean free path of Nano-metalized Polymer. • Determination of surface excitation parameters of Nano-metalized Polymer. - Abstract: In this work, Au was deposited with nominal effective thickness of 0.8 nm on polystyrene (PS) at room temperature. According to previous study, using XPS peak shape analysis [S. Hajati, V. Zaporojtchenko, F. Faupel, S. Tougaard, Surf. Sci. 601 (2007) 3261–3267], Au nanoparticles (Au-NPs) of sizes 5.5 nm were formed corresponding to such effective thickness (0.8 nm). Then the sample was annealed to 200 °C, which is far above the glass transition of PS. At this temperature, the Au-NPs were diffused within the depth 0.5 nm–6.5 nm as found using nondestructive XPS peak shape analysis. Electrons with primary energy 500 eV were used because the electronic properties will then be probed in utmost surface (∼1 IMFP range of depths that is 1.8 nm for PS). By using QUEELS software, theoretical and experimental electron inelastic cross section, energy loss function, electron inelastic mean free path and surface excitation parameters were obtained for the sample. The information obtained here, does not rely on any previously known information on the sample. This means that the method, applied here, is suitable for the determination of the electronic properties of new and unknown composite nanostructures.

  7. Principles of ESCA and applications to metal corrosion, coating and lubrication. [Electron Spectroscopy for Chemical Analysis

    Science.gov (United States)

    Wheeler, D. R.

    1978-01-01

    The principles of ESCA (electron spectroscopy for chemical analysis) are described by comparison with other spectroscopic techniques. The advantages and disadvantages of ESCA as compared to other surface sensitive analytical techniques are evaluated. The use of ESCA is illustrated by actual applications to oxidation of steel and Rene 41, the chemistry of lubricant additives on steel, and the composition of sputter deposited hard coatings. Finally, a bibliography of material that is useful for further study of ESCA is presented and commented upon.

  8. Broadband Velocity Modulation Spectroscopy of Molecular Ions for Use in the Jila Electron Edm Experiment

    Science.gov (United States)

    Gresh, Daniel N.; Cossel, Kevin C.; Cornell, Eric A.; Ye, Jun

    2013-06-01

    The JILA electron electric dipole moment (eEDM) experiment will use a low-lying, metastable ^3Δ_1 state in trapped molecular ions of HfF^+ or ThF^+. Prior to this work, the low-lying states of these molecules had been investigated by PFI-ZEKE spectroscopy. However, there were no detailed studies of the electronic structure. The recently developed technique of frequency comb velocity modulation spectroscopy (VMS) provides broad-bandwidth, high-resolution, ion-sensitive spectroscopy, allowing the acquisition of 150 cm^{-1} of continuous spectra in 30 minutes over 1500 simultaneous channels. By supplementing this technique with cw-laser VMS, we have investigated the electronic structure of HfF^+ in the frequency range of 9950 to 14600 cm^{-1}, accurately fitting and assigning 16 rovibronic transitions involving 8 different electronic states including the X^1Σ^+ and a^3Δ_1 states. In addition, an observed ^3Π_{0+} state with coupling to both the X and a states has been used in the actual eEDM experiment to coherently transfer population from the rovibronic ground state of HfF^+ to the eEDM science state. Furthermore, we report on current efforts of applying frequency comb VMS at 700 - 900 nm to the study of ThF^+, which has a lower energy ^3Δ_1 state and a greater effective electric field, and will provide increased sensitivity for a measurement of the eEDM. A. E. Leanhardt et. al., Journal of Molecular Spectroscopy 270, 1-25 (2011). B. J. Barker, I. O. Antonov, M. C. Heaven, K. A. Peterson, Journal of Chemical Physics 136, 104305 (2012). L. C. Sinclair, K. C. Cossel, T. Coffey, J. Ye, E. A. Cornell, Physical Review Letters 107, 093002 (2011). K.C. Cossel et. al., Chemical Physics Letters 546, 1-11 (2012).

  9. On the linear and non-linear electronic spectroscopy of chlorophylls: a computational study.

    Science.gov (United States)

    Graczyk, Alicja; Żurek, Justyna M; Paterson, Martin J

    2014-01-01

    A theoretical analysis of linear and non-linear (two-photon absorption) electronic spectroscopy of all known porphyrinic pigments has been performed using linear and quadratic density functional response theory, with the long-range corrected CAM-B3LYP functional. We found that higher Soret transitions often contain non-Gouterman contributions and that each chlorophyll has the possibility for resonance enhanced TPA in the Soret region, although there is also significant TPA in the Q region.

  10. Nonlinear spectroscopy of photon-dressed Dirac electrons in a quantum dot

    Science.gov (United States)

    Roslyak, O.; Gumbs, Godfrey; Mukamel, S.

    2013-01-01

    We study the localization of dressed Dirac electrons in a cylindrical quantum dot (QD) formed on monolayer and bilayer graphene by spatially different potential profiles. Short-lived excitonic states which are too broad to be resolved in linear spectroscopy are revealed by cross-peaks in the photon-echo nonlinear technique. Signatures of the dynamic gap in the two-dimensional photon-echo spectra are discussed.

  11. In vivo imaging of a stable paramagnetic probe by pulsed-radiofrequency electron paramagnetic resonance spectroscopy

    DEFF Research Database (Denmark)

    Murugesan; Cook; Devasahayam

    1997-01-01

    Imaging of free radicals by electron paramagnetic resonance (EPR) spectroscopy using time domain acquisition as in nuclear magnetic resonance (NMR) has not been attempted because of the short spin-spin relaxation times, typically under 1 μs, of most biologically relevant paramagnetic species...... to minimize motional artifacts from cardiac and lung motion that cause significant problems in frequency-domain spectral acquisition, such as in continuous wave (cw) EPR techniques...

  12. Transformation optics: a time- and frequency-domain analysis of electron-energy loss spectroscopy

    CERN Document Server

    Kraft, Matthias; Pendry, J B

    2016-01-01

    Electron energy loss spectroscopy (EELS) and Cathodoluminescence (CL) play a pivotal role in many of the cutting edge experiments in plasmonics. EELS and CL experiments are usually supported by numerical simulations, which, whilst accurate, may not provide as much physical insight as analytical calculations do. Fully analytical solutions to EELS and CL systems in plasmonics are rare and difficult to obtain. This paper aims to narrow this gap by introducing a new method based on Transformation optics that allows to calculate the quasi-static frequency and time-domain response of plasmonic particles under electron beam excitation.

  13. Probing flexible conformations in molecular junctions by inelastic electron tunneling spectroscopy

    Directory of Open Access Journals (Sweden)

    Mingsen Deng

    2015-01-01

    Full Text Available The probe of flexible molecular conformation is crucial for the electric application of molecular systems. We have developed a theoretical procedure to analyze the couplings of molecular local vibrations with the electron transportation process, which enables us to evaluate the structural fingerprints of some vibrational modes in the inelastic electron tunneling spectroscopy (IETS. Based on a model molecule of Bis-(4-mercaptophenyl-ether with a flexible center angle, we have revealed and validated a simple mathematical relationship between IETS signals and molecular angles. Our results might open a route to quantitatively measure key geometrical parameters of molecular junctions, which helps to achieve precise control of molecular devices.

  14. Electronic states of Myricetin. UV-Vis polarization spectroscopy and quantum chemical calculations.

    Science.gov (United States)

    Vojta, Danijela; Karlsen, Eva Marie; Spanget-Larsen, Jens

    2017-02-15

    Myricetin (3,3',4',5,5',7'-hexahydroxyflavone) was investigated by linear dichroism spectroscopy on molecular samples partially aligned in stretched poly(vinyl alcohol) (PVA). At least five electronic transitions in the range 40,000-20,000cm(-1) were characterized with respect to their wavenumbers, relative intensities, and transition moment directions. The observed bands were assigned to electronic transitions predicted with TD-B3LYP/6-31+G(d,p). Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Quantification of the boron speciation in alkali borosilicate glasses by electron energy loss spectroscopy

    DEFF Research Database (Denmark)

    Cheng, Shaodong; Yang, Guang; Zhao, Yanqi;

    2015-01-01

    developed a method based on electron energy loss spectroscopy (EELS) data acquisition and analyses, which enables determination of the boron speciation in a series of ternary alkali borosilicate glasses with constant molar ratios. A script for the fast acquisition of EELS has been designed, from which...... fraction in glasses. In addition, the boron speciation of a CeO2 doped potassium borosilicate glass has been analyzed by using the time-resolved EELS spectra. The results clearly demonstrate that the BO4 to BO3 transformation induced by the electron beamirradiation can be efficiently suppressed by doping...

  16. Sliding of poly(vinyl chloride) on metals studied by Auger electron spectroscopy

    Science.gov (United States)

    Pepper, S. V.

    1974-01-01

    The sliding of polyvinyl chloride on nickel, iron and S-Monel has been studied by Auger electron spectroscopy. Polymer was not transferred to the metals, rather shear appeared to take place at the interface. The metal was progressively chlorinated as the polymer made multiple passes on the surface. The thickness of this chlorine film was the order of one atomic layer. Electron-induced desorption studies indicate that the chlorine is chemisorbed to the metal. These results are interpreted as evidence for mechanically induced and/or thermal degradation of the polymer during sliding. Degradation products of HCl and Cl2 which chemisorb to the metal are evolved near the interface.

  17. Employing NMR Spectroscopy To Evaluate Transmission of Electronic Effects in 4-Substituted Chalcones

    Science.gov (United States)

    Wachter-Jurcsak, Nanette; Zamani, Hossein

    1999-05-01

    Described is an organic synthesis experiment that demonstrates the electronic transmission by substituents. The effect of substitution at the para-position of the styryl ring of 1,3-diphenyl-2-propenones (chalcones) by typical electron-donating or -accepting groups can be observed by proton and carbon-13 NMR spectroscopy. A linear correlation is observed when the differences in chemical shift measurements for H are plotted against the corresponding Hammett substituent constant values. Good correlation between carbon-13 chemical shifts of the alpha carbon are also observed. The syntheses of the 4-substituted chalcones is presented as well as a brief discussion of the theory.

  18. Ambient-Pressure X-ray Photoelectron Spectroscopy through Electron Transparent Graphene Membranes

    CERN Document Server

    Kraus, Jurgen; Gunther, Sebastian; Gregoratti, Luca; Amati, Matteo; Kiskinova, Maya; Yulaev, Alexander; Vlassiouk, Ivan; Kolmakov, Andrei

    2014-01-01

    Photoelectron spectroscopy (PES) and microscopy are highly demanded for exploring morphologically complex solid-gas and solid-liquid interfaces under realistic conditions, but the very small electron mean free path inside the dense media imposes serious experimental challenges. Currently, near ambient pressure PES is conducted using sophisticated and expensive electron energy analyzers coupled with differentially pumped electron lenses. An alternative economical approach proposed in this report uses ultrathin graphene membranes to isolate the ambient sample environment from the PES detection system. We demonstrate that the graphene membrane separating windows are both mechanically robust and sufficiently transparent for electrons in a wide energy range to allow PES of liquid and gaseous water. The reported proof-of-principle experiments also open a principal possibility to probe vacuum-incompatible toxic or reactive samples enclosed inside the hermetic environmental cells.

  19. High resolution electron energy loss spectroscopy of narrow gap III-V semiconductor surfaces and interfaces

    CERN Document Server

    Veal, T D

    2002-01-01

    The electronic properties of n-type narrow gap III-V semiconductor surfaces and interfaces are investigated using high-resolution electron-energy-loss spectroscopy (HREELS). Changing the incident electron energy, alters the wave-vector transfer parallel to the surface, allowing the probing depth to be varied over typical space-charge layer widths (100 - 2000 A). Semi-classical dielectric theory simulations of the HREEL spectra are performed to extract quantitative information from the probing energy-dependence of the surface plasmon and phonon peaks. The plasma frequency used in the simulations is related to the electron concentration and effective mass using the Kane model of the non-parabolic conduction band. Space-charge layer parameters are obtained by comparing calculated smooth charge profiles with the histogram profiles that are used in the simulations. Complementary experimental techniques are employed to correlate the reconstruction, chemical composition and morphology of the surface with the electro...

  20. Electronic topological transition in zinc under pressure: An x-ray absorption spectroscopy study

    Science.gov (United States)

    Aquilanti, G.; Trapananti, A.; Minicucci, M.; Liscio, F.; Twaróg, A.; Principi, E.; Pascarelli, S.

    2007-10-01

    Zinc metal has been studied at high pressure using x-ray absorption spectroscopy. In order to investigate the role of the different degrees of hydrostaticity on the occurrence of structural anomalies following the electronic topological transition, two pressure transmitting media have been used. Results show that the electronic topological transition, if it exists, does not induce an anomaly in the local environment of compressed Zn as a function of hydrostatic pressure and any anomaly must be related to a loss of hydrostaticity of the pressure transmitting medium. The near-edge structures of the spectra, sensitive to variations in the electronic density of states above the Fermi level, do not show any evidence of electronic transition whatever pressure transmitting medium is used.

  1. Fine-structure-resolved laser-photodetachment electron spectroscopy of In{sup {minus}}

    Energy Technology Data Exchange (ETDEWEB)

    Williams, W.W.; Carpenter, D.L.; Covington, A.M.; Thompson, J.S. [Department of Physics and Chemical Physics Program, University of Nevada, Reno, Nevada, 89557-0058 (United States); Kvale, T.J. [Department of Physics and Astronomy, University of Toledo, Toledo, Ohio, 43606-3390 (United States); Seely, D.G. [Department of Physics, Albion College, Albion, Michigan, 49224 (United States)

    1998-11-01

    The electron affinity of indium has been measured using the laser-photodetachment electron spectroscopy technique. Fine-structure-resolved photoelectron kinetic energy spectra of In{sup {minus}} were analyzed and the electron affinity of In({sup 2}P{sub 1/2}) was determined to be 0.404{plus_minus}0.009 eV. The fine-structure splittings in the ground state of In{sup {minus}}({sup 3}P{sub 0,1,2}) were determined to be 0.076{plus_minus}0.009 eV (J=0{r_arrow}J=1) and 0.175{plus_minus}0.009 eV (J=0{r_arrow}J=2). This measurement is compared to several recent calculations of the electron affinity of indium. {copyright} {ital 1998} {ital The American Physical Society}

  2. Development of holmium-163 electron-capture spectroscopy with transition-edge sensors

    CERN Document Server

    Croce, M P; Mocko, V; Kunde, G J; Birnbaum, E R; Bond, E M; Engle, J W; Hoover, A S; Nortier, F M; Pollington, A D; Taylor, W A; Weisse-Bernstein, N R; Wolfsberg, L E; Hays-Wehle, J P; Schmidt, D R; Swetz, D S; Ullom, J N; Barnhart, T E; Nickles, R J

    2015-01-01

    Calorimetric decay energy spectroscopy of electron-capture-decaying isotopes is a promising method to achieve the sensitivity required for electron neutrino mass measurement. The very low total nuclear decay energy (QEC < 3 keV) and short half-life (4570 y) of 163Ho make it attractive for high-precision electron capture spectroscopy (ECS) near the kinematic endpoint, where the neutrino momentum goes to zero. In the ECS approach, an electron-capture-decaying isotope is embedded inside a microcalorimeter designed to capture and measure the energy of all the decay radiation except that of the escaping neutrino. We have developed a complete process for proton-irradiation-based isotope production, isolation, and purification of 163Ho. We have developed transition-edge sensors for this measurement and methods for incorporating 163Ho into high-resolution microcalorimeters, and have measured the electron-capture spectrum of 163Ho. We present our work in these areas and discuss the measured spectrum and its compari...

  3. High-Resolution Two-Dimensional Optical Spectroscopy of Electron Spins

    Science.gov (United States)

    Salewski, M.; Poltavtsev, S. V.; Yugova, I. A.; Karczewski, G.; Wiater, M.; Wojtowicz, T.; Yakovlev, D. R.; Akimov, I. A.; Meier, T.; Bayer, M.

    2017-07-01

    Multidimensional coherent optical spectroscopy is one of the most powerful tools for investigating complex quantum mechanical systems. While it was conceived decades ago in magnetic resonance spectroscopy using microwaves and radio waves, it has recently been extended into the visible and UV spectral range. However, resolving MHz energy splittings with ultrashort laser pulses still remains a challenge. Here, we analyze two-dimensional Fourier spectra for resonant optical excitation of resident electrons to localized trions or donor-bound excitons in semiconductor nanostructures subject to a transverse magnetic field. Particular attention is devoted to Raman coherence spectra, which allow one to accurately evaluate tiny splittings of the electron ground state and to determine the relaxation times in the electron spin ensemble. A stimulated steplike Raman process induced by a sequence of two laser pulses creates a coherent superposition of the ground-state doublet which can be retrieved only optically because of selective excitation of the same subensemble with a third pulse. This provides the unique opportunity to distinguish between different complexes that are closely spaced in energy in an ensemble. The related experimental demonstration is based on photon-echo measurements in an n -type CdTe /(Cd ,Mg )Te quantum-well structure detected by a heterodyne technique. The difference in the sub-μ eV range between the Zeeman splittings of donor-bound electrons and electrons localized at potential fluctuations can be resolved even though the homogeneous linewidth of the optical transitions is larger by 2 orders of magnitude.

  4. An improved approach to identify irradiated spices using electronic nose, FTIR, and EPR spectroscopy.

    Science.gov (United States)

    Sanyal, Bhaskar; Ahn, Jae-Jun; Maeng, Jeong-Hwan; Kyung, Hyun-Kyu; Lim, Ha-Kyeong; Sharma, Arun; Kwon, Joong-Ho

    2014-09-01

    Changes in cumin and chili powder from India resulting from electron-beam irradiation were investigated using 3 analytical methods: electronic nose (E-nose), Fourier transform infrared (FTIR) spectroscopy, and electron paramagnetic resonance (EPR) spectroscopy. The spices had been exposed to 6 to 14 kGy doses recommended for microbial decontamination. E-nose measured a clear difference in flavor patterns of the irradiated spices in comparison with the nonirradiated samples. Principal component analysis further showed a dose-dependent variation. FTIR spectra of the samples showed strong absorption bands at 3425, 3007 to 2854, and 1746 cm(-1). However, both nonirradiated and irradiated spice samples had comparable patterns without any noteworthy changes in functional groups. EPR spectroscopy of the irradiated samples showed a radiation-specific triplet signal at g = 2.006 with a hyper-fine coupling constant of 3 mT confirming the results obtained with the E-nose technique. Thus, E-nose was found to be a potential tool to identify irradiated spices.

  5. Electronic states of neutral and ionized tetrahydrofuran studied by VUV spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Giuliani, A. [Synchrotron Soleil, DISCO beamline, L' Orme des Merisiers, 91 - Gif-sur-Yvette (France); Giuliani, A. [Cepia, Institut National de la Recherche Agronomique (INRA), 44 - Nantes (France); Limiao-Vieira, P. [Lisboa Univ. Nova, Lab. de Colisoes Atomicas e Moleculares, CEFITEC, Dept. de Fysica, Caparica (Portugal); Limao-Vieira, P.; Mason, N. [Open Univ., Centre of Molecular and Optical Sciences, Dept. of Physics and Astronomy, Milton Keynes, MK (United Kingdom); Duflot, D. [Lille Univ. des Sciences et Technologies, Lab. de Physique des Lasers, Atomes et Molecules (PhLAM), UMR CNRS 8523, Centre d' Etudes et de Recherches Lasers et Applications, CERLA, FR CNRS 2416, 59 - Villeneuve d' Ascq (France); Milosavljevic, A.R.; Marinkovic, B.P. [Laboratory for atomic collision processes, Institute of Physics, Belgrade, Serbia (Yugoslavia); Hoffmann, S.V. [Aarhus Univ., Institute for Storage Ring Facilities (Denmark); Delwiche, J.; Hubin-Franskin, M.J. [Liege Univ., Laboratoire de Spectroscopie d' Electrons Diffuses, Institut de Chimie (Belgium)

    2009-01-15

    The electronic spectroscopy of isolated tetrahydrofuran (THF) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 5.8 - 10.6 eV with absolute cross-section measurements derived. In addition, an electron energy loss spectrum was recorded at 100 eV and 10 degrees over the 5 - 11.4 eV range. The He(I) photoelectron spectrum was also collected to quantify ionisation energies in the 9 - 16.1 eV spectral region. These experiments are supported by the first high-level ab initio calculations performed on the excited states of the neutral molecule and on the ground state of the positive ion. The excellent agreement between the theoretical results and the measurements allows us to solve several discrepancies concerning the electronic state spectroscopy of THF. The present work reconsiders the question of the lowest energy conformers of the molecule and its population distribution at room temperature. (authors)

  6. Pulsed electron-electron double resonance (PELDOR) as EPR spectroscopy in nanometre range

    Energy Technology Data Exchange (ETDEWEB)

    Tsvetkov, Yu D; Milov, A D; Maryasov, A G [Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences, Novosibirsk (Russian Federation)

    2008-06-30

    The results of development of pulsed electron-electron double resonance (PELDOR) method and its applications in structural studies are generalised and described systematically. The foundations of the theory of the method are outlined, some methodological features and applications are considered, in particular, determination of the distances between spin labels in the nanometre range for iminoxyl biradicals, spin-labelled biomacromolecules, radical ion pairs and peptide-membrane complexes. The attention is focussed on radical systems that form upon self-assembly of nanosized complexes (in particular, peptide complexes), spatial effects, and radical pairs in photolysis and photosynthesis. The position of PELDOR among other structural EPR techniques is analysed.

  7. Thermodynamic Basis of Electron Transfer in Dihydroorotate Dehydrogenase B from Lactococcus lactis:  Analysis by Potentiometry, EPR Spectroscopy, and ENDOR Spectroscopy

    DEFF Research Database (Denmark)

    Mohnsen, Al-Walid A.; Rigby, Stephen E. J.; Jensen, Kaj Frank

    2004-01-01

    Dihydroorotate dehydrogenase B (DHODB) is a complex iron-sulfur flavoprotein that catalyzes the conversion of dihydroorotate to orotate and the reduction of NAD+. The enzyme is a dimer of heterodimers containing an FMN, an FAD, and a 2Fe-2S center. UV-visible, EPR, and ENDOR spectroscopies have...... similar to those recorded for the blue semiquinone of free flavins in aqueous solution, thus confirming the presence of this species in DHODB. Spectral features observed during EPR spectroscopy of dithionite-reduced DHODB are consistent with the midpoint reduction potentials determined using UV-visible...

  8. Ultrafast XUV spectroscopy: Unveiling the nature of electronic couplings in molecular dynamics

    Science.gov (United States)

    Timmers, Henry Robert

    Molecules are traditionally treated quantum mechanically using the Born-Oppenheimer formalism. In this formalism, different electronic states of the molecule are treated independently. However, most photo-initiated phenomena occurring in nature are driven by the couplings between different electronic states in both isolated molecules and molecular aggregates, and therefore occur beyond the Born-Oppenheimer formalism. These couplings are relevant in reactions relating to the perception of vision in the human eye, the oxidative damage and repair of DNA, the harvesting of light in photosynthesis, and the transfer of charge across large chains of molecules. While these reaction dynamics have traditionally been studied with visible and ultraviolet spectroscopy, attosecond XUV pulses formed through the process of high harmonic generation form a perfect tool for probing coupled electronic dynamics in molecules. In this thesis, I will present our work in using ultrafast, XUV spectroscopy to study these dynamics in molecules of increasing complexity. We begin by probing the relaxation dynamics of superexcited states in diatomic O 2. These states can relax via two types of electronic couplings, either through autoionization or neutral dissociation. We find that our pump-probe scheme can disentangle the two relaxation mechanisms and independently measure their contributing lifetimes. Next, we present our work in observing a coherent electron hole wavepacket initiated by the ionization of polyatomic CO 2 near a conical intersection. The electron-nuclear couplings near the conical intersection drive the electron hole between different orbital configurations. We find that we can not only measure the lifetime of quantum coherence in the electron hole wavepacket, but also control its evolution with a strong, infrared probing field. Finally, we propose an experiment to observe the migration of an electron hole across iodobenzene on the few-femtosecond timescale. We present

  9. Atomic and Molecular Photoelectron and Auger Electron SpectroscopyStudies Using Synchrotron Radiation

    Energy Technology Data Exchange (ETDEWEB)

    Southworth, Stephen H.

    1982-01-01

    Electron spectroscopy, combined with synchrotron radiation, was used to measure the angular distributions of photoelectrons and Auger electrons from atoms and molecules as functions of photon energy. The branching ratios and partial cross sections were a 130 measured in certain cases. By comparison with theoretical calculations, the experimental results are interpreted in terms of the characteristic electronic structure and ionization dynamics of the atomic or molecular sample. The time structure of the synchrotron radiation source was used to record time-of-flight (TOF) spectra o f the ejected electrons. The ''a double-angle-TOF'' method for the measurement of photoelectron angular distributions is discussed. This technique offers the advantages of increased electron collect ion efficiency and the elimination of certain systematic errors. Several results were obtained for Xe using photon energies in the range hv {approx_equal} 60-190 eV, where excitation and ionization of the inner-subshell 4d electrons dominates. The 4d asymmetry parameter {beta} exhibits strong oscillations with energy, in agreement with several theoretical calculations. As predicted, the 5p asymmetry parameter was observed to deviate strongly from that calculated using the independent-electron model, due to intershell correlation with the 4d electrons.

  10. Electronic spectroscopy of molecules in superfluid helium nanodroplets: an excellent sensor for intramolecular charge redistribution.

    Science.gov (United States)

    Pentlehner, D; Riechers, R; Vdovin, A; Pötzl, G M; Slenczka, A

    2011-06-30

    Electronic spectra of molecules doped into superfluid (4)He nanodroplets reveal important details of the microsolvation in superfluid helium. The vibrational fine structure in the electronic spectra of phthalocyanine derivatives and pyrromethene dye molecules doped into superfluid helium droplets have been investigated. Together with previous studies on anthracene derivatives [J. Chem. Phys.2010, 133, 114505] and 3-hydroxyflavone [J. Chem. Phys.2009, 131, 194307], the line shapes vary between two limiting cases, namely, sharp Lorentzians and nonresolved vibrational fine structure. All different spectral signatures are initiated by the same effect, namely, the change of the electron density distribution initiated by the electronic excitation. This change can be quantified by the difference of the electrostatic moments of the molecule in the electronic ground state and the corresponding Franck-Condon point in the excited state. According to the experimental data, electronic spectroscopy suffers from drastic line broadening when accompanied by significant changes of the charge distribution, in particular, changes of the dipole moment. Vice versa, the vibrational fine structure in electronic spectra of molecules doped into helium droplets is highly sensitive to changes of the electron density distribution.

  11. Conductivity of solvated electrons in hexane investigated with terahertz time-domain spectroscopy.

    Science.gov (United States)

    Knoesel, Ernst; Bonn, Mischa; Shan, Jie; Wang, Feng; Heinz, Tony F

    2004-07-01

    We present investigations of the transient photoconductivity and recombination dynamics of quasifree electrons in liquid n-hexane and cyclohexane performed using terahertz time-domain spectroscopy (THz-TDS). Quasifree electrons are generated by two-photon photoionization of the liquid using a femtosecond ultraviolet pulse, and the resulting changes in the complex conductivity are probed by a THz electromagnetic pulse at a variable delay. The detection of time-domain wave forms of the THz electric field permits the direct determination of both the real and the imaginary part of the conductivity of the electrons over a wide frequency range. The change in conductivity can be described by the Drude model, thus yielding the quasifree electron density and scattering time. The electron density is found to decay on a time scale of a few hundred picoseconds, which becomes shorter with increasing excitation density. The dynamics can be described by a model that assumes nongeminate recombination between electrons and positive ions. In addition, a strong dependence of the quasifree electron density on temperature is observed, in agreement with a two-state model in which the electron may exist in either a quasifree or a bound state.

  12. A conceptual design of the set-up for solid state spectroscopy with free electron laser and insertion device radiation

    CERN Document Server

    Makhov, V N

    2001-01-01

    The set-up for complex solid state spectroscopy with the use of enhanced properties of radiation from insertion devices and free electron lasers is proposed. Very high flux and pulsed properties of radiation from insertion devices and free electron lasers offer the possibility for the use of such powerful techniques as electron paramagnetic resonance (EPR) and optically detected magnetic resonance (ODMR) for the studies of excited states of electronic excitations or defects in solids. The power density of radiation can become high enough for one more method of exited-state spectroscopy: transient optical absorption spectroscopy. The set-up is supposed to combine the EPR/ODMR spectrometer, i.e. cryostat supplied with superconducting magnet and microwave system, and the optical channels for excitation (by radiation from insertion devices or free electron laser) and detection of luminescence (i.e. primary and secondary monochromators). The set-up can be used both for 'conventional' spectroscopy of solids (reflec...

  13. Element-specific characterization of transient electronic structure of solvated Fe(II) complexes with time-resolved soft X-ray absorption spectroscopy.

    Science.gov (United States)

    Hong, Kiryong; Cho, Hana; Schoenlein, Robert W; Kim, Tae Kyu; Huse, Nils

    2015-11-17

    Polypyridyl transition-metal complexes are an intriguing class of compounds due to the relatively facile chemical designs and variations in ligand-field strengths that allow for spin-state changes and hence electronic configurations in response to external perturbations such as pressure and light. Light-activated spin-conversion complexes have possible applications in a variety of molecular-based devices, and ultrafast excited-state evolution in these complexes is of fundamental interest for understanding of the origins of spin-state conversion in metal complexes. Knowledge of the interplay of structure and valence charge distributions is important to understand which degrees of freedom drive spin-conversion and which respond in a favorable (or unfavorable) manner. To track the response of the constituent components, various types of time-resolved X-ray probe methods have been utilized for a broad range of chemical and biological systems relevant to catalysis, solar energy conversions, and functional molecular devices. In particular, transient soft X-ray spectroscopy of solvated molecules can offer complementary information on the detailed electronic structures and valence charge distributions of photoinduced intermediate species: First-row transition-metal L-edges consist of 2p-3d transitions, which directly probe the unoccupied valence density of states and feature lifetime broadening in the range of 100 meV, making them sensitive spectral probes of metal-ligand interactions. In this Account, we present some of our recent progress in employing picosecond and femtosecond soft X-ray pulses from synchrotron sources to investigate element specific valence charge distributions and spin-state evolutions in Fe(II) polypyridyl complexes via core-level transitions. Our results on transient L-edge spectroscopy of Fe(II) complexes clearly show that the reduction in σ-donation is compensated by significant attenuation of π-backbonding upon spin-crossover. This underscores

  14. The spectroscopy of singlets and triplets excites electronic states, spatial and electronic structure of hydrocarbons and quantum classifications in chemmotology

    Science.gov (United States)

    Obukhov, A. E.

    2016-12-01

    In this work we demonstrate the physical foundations of the spectroscopy of the grounds states: E- and X-ray, (RR) Raman scattering the NMR 1H and 13C and IR-, EPR- absorption and the singlets and triplets electronic excited states in the multinuclear hydrocarbons in chemmotology. The parameters of UV-absorption, RR-Raman scattering of light, the fluorescence and the phosphorescence and day-lasers at the pumping laser and lamp, OLEDs and OTETs- are measurements. The spectral-energy properties are briefly studied. The quantum-chemical LCAO-MO SCF expanded-CI PPP/S and INDO/S methods in the electronic and spatial structure hidrocarbons are considered.

  15. Understanding Power Electronics and Electrical Machines in Multidisciplinary Wind Energy Conversion System Courses

    Science.gov (United States)

    Duran, M. J.; Barrero, F.; Pozo-Ruz, A.; Guzman, F.; Fernandez, J.; Guzman, H.

    2013-01-01

    Wind energy conversion systems (WECS) nowadays offer an extremely wide range of topologies, including various different types of electrical generators and power converters. Wind energy is also an application of great interest to students and with a huge potential for engineering employment. Making WECS the main center of interest when teaching…

  16. Understanding Power Electronics and Electrical Machines in Multidisciplinary Wind Energy Conversion System Courses

    Science.gov (United States)

    Duran, M. J.; Barrero, F.; Pozo-Ruz, A.; Guzman, F.; Fernandez, J.; Guzman, H.

    2013-01-01

    Wind energy conversion systems (WECS) nowadays offer an extremely wide range of topologies, including various different types of electrical generators and power converters. Wind energy is also an application of great interest to students and with a huge potential for engineering employment. Making WECS the main center of interest when teaching…

  17. Recent progress of probing correlated electron states by point contact spectroscopy

    Science.gov (United States)

    Lee, Wei-Cheng; Greene, Laura H.

    2016-09-01

    We review recent progress in point contact spectroscopy (PCS) to extract spectroscopic information out of correlated electron materials, with the emphasis on non-superconducting states. PCS has been used to detect bosonic excitations in normal metals, where signatures (e.g. phonons) are usually less than 1% of the measured conductance. In the superconducting state, point contact Andreev reflection (PCAR) has been widely used to study properties of the superconducting gap in various superconductors. It has been well-recognized that the corresponding conductance can be accurately fitted by the Blonder-Tinkham-Klapwijk (BTK) theory in which the AR occurring near the point contact junction is modeled by three parameters; the superconducting gap, the quasiparticle scattering rate, and a dimensionless parameter, Z, describing the strength of the potential barrier at the junction. AR can be as large as 100% of the background conductance, and only arises in the case of superconductors. In the last decade, there have been more and more experimental results suggesting that the point contact conductance could reveal new features associated with the unusual single electron dynamics in non-superconducting states, shedding a new light on exploring the nature of the competing phases in correlated materials. To correctly interpret these new features, it is crucial to re-examine the modeling of the point contact junctions, the formalism used to describe the single electron dynamics particularly in point contact spectroscopy, and the physical quantity that should be computed to understand the conductance. We will summarize the theories for point contact spectroscopy developed from different approaches and highlight these conceptual differences distinguishing point contact spectroscopy from tunneling-based probes. Moreover, we will show how the Schwinger-Kadanoff-Baym-Keldysh (SKBK) formalism together with the appropriate modeling of the nano-scale point contacts randomly distributed

  18. Primary events in the blue light sensor plant cryptochrome: intraprotein electron and proton transfer revealed by femtosecond spectroscopy.

    Science.gov (United States)

    Immeln, Dominik; Weigel, Alexander; Kottke, Tilman; Pérez Lustres, J Luis

    2012-08-01

    Photoreceptors are chromoproteins that undergo fast conversion from dark to signaling states upon light absorption by the chromophore. The signaling state starts signal transduction in vivo and elicits a biological response. Therefore, photoreceptors are ideally suited for analysis of protein activation by time-resolved spectroscopy. We focus on plant cryptochromes which are blue light sensors regulating the development and daily rhythm of plants. The signaling state of these flavoproteins is the neutral radical of the flavin chromophore. It forms on the microsecond time scale after light absorption by the oxidized state. We apply here femtosecond broad-band transient absorption to early stages of signaling-state formation in a plant cryptochrome from the green alga Chlamydomonas reinhardtii. Transient spectra show (i) subpicosecond decay of flavin-stimulated emission and (ii) further decay of signal until 100 ps delay with nearly constant spectral shape. The first decay (i) monitors electron transfer from a nearby tryptophan to the flavin and occurs with a time constant of τ(ET) = 0.4 ps. The second decay (ii) is analyzed by spectral decomposition and occurs with a characteristic time constant τ(1) = 31 ps. We reason that hole transport through a tryptophan triad to the protein surface and partial deprotonation of tryptophan cation radical hide behind τ(1). These processes are probably governed by vibrational cooling. Spectral decomposition is used together with anisotropy to obtain the relative orientation of flavin and the final electron donor. This narrows the number of possible electron donors down to two tryptophans. Structural analysis suggests that a set of histidines surrounding the terminal tryptophan may act as proton acceptor and thereby stabilize the radical pair on a 100 ps time scale.

  19. Recent Progress in Piezoelectric Conversion and Energy Harvesting Using Nonlinear Electronic Interfaces and Issues in Small Scale Implementation

    Directory of Open Access Journals (Sweden)

    Daniel Guyomar

    2011-06-01

    Full Text Available This paper aims at providing an up-to-date review of nonlinear electronic interfaces for energy harvesting from mechanical vibrations using piezoelectric coupling. The basic principles and the direct application to energy harvesting of nonlinear treatment of the output voltage of the transducers for conversion enhancement will be recalled, and extensions of this approach presented. Latest advances in this field will be exposed, such as the use of intermediate energy tanks for decoupling or initial energy injection for conversion magnification. A comparative analysis of each of these techniques will be performed, highlighting the advantages and drawbacks of the methods, in terms of efficiency, performance under several excitation conditions, complexity of implementation and so on. Finally, a special focus of their implementation in the case of low voltage output transducers (as in the case of microsystems will be presented.

  20. Superatom spectroscopy and the electronic state correlation between elements and isoelectronic molecular counterparts.

    Science.gov (United States)

    Peppernick, Samuel J; Gunaratne, K D Dasitha; Castleman, A W

    2010-01-19

    Detailed in the present investigation are results pertaining to the photoelectron spectroscopy of negatively charged atomic ions and their isoelectronic molecular counterparts. Experiments utilizing the photoelectron imaging technique are performed on the negative ions of the group 10 noble metal block (i.e. Ni-, Pd-, and Pt-) of the periodic table at a photon energy of 2.33 eV (532 nm). The accessible electronic transitions, term energies, and orbital angular momentum components of the bound electronic states in the atom are then compared with photoelectron images collected for isoelectronic early transition metal heterogeneous diatomic molecules, M-X- (M = Ti,Zr,W; X = O or C). A superposition principle connecting the spectroscopy between the atomic and molecular species is observed, wherein the electronic structure of the diatomic is observed to mimic that present in the isoelectronic atom. The molecular ions studied in this work, TiO-, ZrO-, and WC- can then be interpreted as possessing superatomic electronic structures reminiscent of the isoelectronic elements appearing on the periodic table, thereby quantifying the superatom concept.

  1. Nature of Electronically Excited States of Organic Compounds and Processes of Nonradiative Conversion

    Science.gov (United States)

    Mayer, G. V.; Plotnikov, V. G.; Artyukhov, V. Ya.

    2016-08-01

    Models of quantum-chemical calculation of rate constants for internal processes and intersystem crossing in polyatomic molecules are considered. The influence of the nature of electronically excited states in organic compounds is investigated. It is shown that the explicit allowance for the nature of wave functions of electronic states for estimation of electronic matrix elements of nonadiabaticity operators and spin-orbit interaction allows photophysical processes in organic compounds to be considered in detail.

  2. Dose conversion coefficients for electron exposure of the human eye lens: calculations including a whole body phantom.

    Science.gov (United States)

    Behrens, R

    2013-07-01

    In this work, conversion coefficients from electron fluence to absorbed dose to the eye lens were calculated using Monte Carlo simulations based on a detailed stylised eye model and a very simple but whole body phantom. These data supersede and complement data published earlier based on the simulation of only a single stylised eye. The new data differ from the old ones by not more than 3, 4, 7 and 16 % for angles of radiation incidence of α=0°, 15°, 30° and 45°, respectively, due to the inclusion of the whole body phantom. The data presented in the present work also complement those of a recent report of the International Commission on Radiological Protection (ICRP) (ICRP Publication 116), where conversion coefficients from electron fluence to absorbed dose to the lens of the eye are shown for solely 0°, 180° and isotropic radiation incidence (but for a much broader range of energies). In this article, values are provided for angles of incidence of 0° up to 180° in steps of 15° and for rotational geometry; no systematic deviation was observed from the values given in ICRP Publication 116 for 0° (based on the application of a bare eye) and 180° (based on the application of a voxel whole body phantom). Data are given for monoenergetic electrons from 0.1 up to 10 MeV and for a broad parallel beam geometry in vacuum.

  3. Electron mean free path from angle-dependent photoelectron spectroscopy of aerosol particles

    CERN Document Server

    Goldmann, Maximilian; West, Adam H C; Yoder, Bruce L; Signorell, Ruth

    2015-01-01

    We propose angle-resolved photoelectron spectroscopy of aerosol particles as an alternative way to determine the electron mean free path of low energy electrons in solid and liquid materials. The mean free path is obtained from fits of simulated photoemission images to experimental ones over a broad range of different aerosol particle sizes. The principal advantage of the aerosol approach is twofold. Firstly, aerosol photoemission studies can be performed for many different materials, including liquids. Secondly, the size-dependent anisotropy of the photoelectrons can be exploited in addition to size-dependent changes in their kinetic energy. These finite size effects depend in different ways on the mean free path and thus provide more information on the mean free path than corresponding liquid jet, thin film, or bulk data. The present contribution is a proof of principle employing a simple model for the photoemission of electrons and preliminary experimental data for potassium chloride aerosol particles.

  4. Density measurement of thin layers by electron energy loss spectroscopy (EELS).

    Science.gov (United States)

    Thomas, Jürgen; Ramm, Jürgen; Gemming, Thomas

    2013-07-01

    A method to measure the density of thin layers is presented which utilizes electron energy loss spectroscopy (EELS) techniques within a transmission electron microscope. The method is based on the acquisition of energy filtered images in the low loss region as well as of an element distribution map using core loss edges. After correction of multiple inelastic scattering effects, the intensity of the element distribution map is proportional to density and thickness. The dependence of the intensities of images with low energy loss electrons on the density is different from that. This difference allows the calculation of the relative density pixel by pixel and to determine lateral density gradients or fluctuations in thin films without relying on a constant specimen thickness. The method is demonstrated at thin carbon layers produced with density gradients.

  5. Probing electronic properties of molecular engineered zinc oxide nanowires with photoelectron spectroscopy.

    Science.gov (United States)

    Aguilar, Carlos A; Haight, Richard; Mavrokefalos, Anastassios; Korgel, Brian A; Chen, Shaochen

    2009-10-27

    ZnO nanowires (NWs) are emerging as key elements for new lasing, photovoltaic and sensing applications but elucidation of their fundamental electronic properties has been hampered by a dearth of characterization tools capable of probing single nanowires. Herein, ZnO NWs were synthesized in solution and integrated into a low energy photoelectron spectroscopy system, where quantitative optical measurements of the NW work function and Fermi level location within the band gap were collected. Next, the NWs were decorated with several dipolar self-assembled monolayers (SAMs) and control over the electronic properties is demonstrated, yielding a completely tunable hybrid electronic material. Using this new metrology approach, a host of other extraordinary interfacial phenomena could be explored on nanowires such as spatial dopant profiling or heterostructures.

  6. Note: Deep UV-pump THz-probe spectroscopy of the excess electron in water

    Science.gov (United States)

    Berger, Arian; Savolainen, Janne; Shalit, Andrey; Hamm, Peter

    2017-06-01

    In the work of Savolainen et al. [Nat. Chem. 6, 697 (2014)], we studied the excess (hydrated) electron in water with the help of transient THz spectroscopy, which is a sensitive probe of its delocalization length. In that work, we used laser pulses at 800 nm, 400 nm, and 267 nm for photoionization. While the detachment mechanism for 400 nm and 267 nm is complicated and requires a concerted nuclear rearrangement, we provided evidence that 800 nm pumping excites the excess electron directly and vertically into the conduction band, despite a highly nonlinear field-ionization process. In the present note, we extend that work to 200 nm pumping, which provides a much cleaner way to reach the conduction band. We show that the detachment pathways upon 200 nm and 800 nm pumping are in essence the same, as indicated by the same initial size of the electron wavefunction and the same time scales for the collapse of the wavefunction and geminate recombination.

  7. Inelastic electron tunneling spectroscopy: A route to the identification of the tip-apex structure

    Science.gov (United States)

    Vitali, Lucia; Borisova, Svetlana D.; Rusina, Galina G.; Chulkov, Evgueni V.; Kern, Klaus

    2010-04-01

    The vibrational spectrum of a tunneling junction on a clean Cu(111) surface has been characterized by vibrational density of states calculations and inelastic electron tunneling spectroscopy technique. We demonstrate that the achieved spectrum consists not only of vibrational modes excited by the tunneling electrons on the clean surface but also of modes characteristic of the structure of the tip apex. This allows to identify unequivocally the atomic structure of the tip, which is still the largest unknown parameter in a scanning tunneling microscope. This opens a new perspective in the interpretation of the measurements of vibrational modes with a scanning tunneling microscope. Additionally, it might have implications in the measurements of electron conductance through single atom or molecules contacted by the tip of scanning tunneling microscope.

  8. Complete momentum and energy resolved TOF electron spectrometerfor time-resolved photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Zahid; Lebedev, G.; Tremsin, A.; Siegmund, O.; Chen, Y.; Shen, Z.X.; Hussain, Z.

    2007-08-12

    Over the last decade, high-resolution Angle-Resolved Photoemission Spectroscopy (ARPES) has emerged as a tool of choice for studying the electronic structure of solids, in particular, strongly correlated complex materials such as cuprate superconductors. In this paper we present the design of a novel time-of-flight based electron analyzer with capability of 2D in momentum space (kx and ky) and all energies (calculated from time of flight) in the third dimension. This analyzer will utilize an improved version of a 2D delay linedetector capable of imaging with<35 mm (700x700 pixels) spatial resolution and better than 120 ps FWHM timing resolution. Electron optics concepts and optimization procedure are considered for achieving an energy resolution less than 1 meV and an angular resolution better than 0.11.

  9. Bremsstrahlung and Line Spectroscopy of Warm Dense Aluminum Plasma Generated by EUV Free Electron Laser

    Energy Technology Data Exchange (ETDEWEB)

    Zastrau, U; Fortmann, C; Faustlin, R; Bornath, T; Cao, L F; Doppner, T; Dusterer, S; Forster, E; Glenzer, S H; Gregori, G; Holl, A; Laarmann, T; Lee, H; Meiwes-Broer, K; Przystawik, A; Radcliffe, P; Redmer, R; Reinholz, H; Ropke, G; Tiggesbaumker, J; Thiele, R; Truong, N X; Uschmann, I; Toleikis, S; Tschentscher, T; Wierling, A

    2008-03-07

    We report on the novel creation of a solid density aluminum plasma using free electron laser radiation at 13.5 nm wavelength. Ultrashort pulses of 30 fs duration and 47 {micro}J pulse energy were focused on a spot of 25 {micro}m diameter, yielding an intensity of 3 x 10{sup 14} W/cm{sup 2} on the bulk Al-target. The radiation emitted from the plasma was measured using a high resolution, high throughput EUV spectrometer. The analysis of both bremsstrahlung and line spectra results in an estimated electron temperature of (30 {+-} 10) eV, which is in very good agreement with radiation hydrodynamics simulations of the laser-target-interaction. This demonstrates the feasibility of exciting plasmas at warm dense matter conditions using EUV free electron lasers and their accurate characterization by EUV spectroscopy.

  10. Subcellular localization of Cd in the root cells of Allium sativum by electron energy loss spectroscopy

    Indian Academy of Sciences (India)

    Donghua Liu; Ingrid Kottke

    2003-06-01

    The ultrastructural investigation of the root cells of Allium sativum L. exposed to three different concentrations of Cd (100 M, 1 mM and 10 mM) for 9 days was carried out. The results showed that Cd induced several significant ultrastructural changes – high vacuolization in cytoplasm, deposition of electron-dense material in vacuoles and nucleoli and increment of disintegrated organelles. Data from electron energy loss spectroscopy (EELS) revealed that Cd was localized in the electron-dense precipitates in the root cells treated with 10 mM Cd. High amounts of Cd were mainly accumulated in the vacuoles and nucleoli of cortical cells in differentiating and mature root tissues. The mechanisms of detoxification and tolerance of Cd are briefly explained.

  11. High resolution EUV spectroscopy of xenon ions with a compact electron beam ion trap

    Science.gov (United States)

    Ali, Safdar; Nakamura, Nobuyuki

    2017-09-01

    We performed high resolution extreme ultraviolet (EUV) spectroscopy measurements of highly charged xenon ions with a compact electron beam ion trap. The spectra were recorded with a flat-field grazing incidence spectrometer while varying the electron beam energy between 200 and 890 eV. We measured the wavelengths for several lines of Rh-like Xe9+ - Cd-like Xe6+ and Cu-like Xe25+- Se-like Xe20+ in the range of 150-200 Å with an uncertainty of 0.05 Å. Previously, most of these lines have been reported from EBITs with a wavelength uncertainty of 0.2 Å. Additionally, based on the electron beam energy dependence of the observed spectra we tentatively identified three new lines, which were reported as unidentified lines in the previous studies.

  12. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    Energy Technology Data Exchange (ETDEWEB)

    Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko; Engel, Volker [Universität Würzburg, Institut für Physikalische und Theoretische Chemie, Emil-Fischer-Str. 42, Campus Nord, Am Hubland, 97074 Würzburg (Germany); Gomez, Sandra; Sola, Ignacio R. [Departamento de Quimica Fisica, Universidad Complutense, 28040 Madrid (Spain)

    2015-07-28

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  13. X-ray fluorescence/Auger-electron coincidence spectroscopy of vacancy cascades in atomic argon

    Energy Technology Data Exchange (ETDEWEB)

    Arp, U. [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Electron and Optical Physics Div.; LeBrun, T.; Southworth, S.H.; Jung, M. [Argonne National Lab., IL (United States). Physics Div.; MacDonald, M.A. [E.P.S.R.C. Daresbury Lab., Warrington (United Kingdom)

    1996-12-01

    Argon L{sub 2.3}-M{sub 2.3}M{sub 2.3} Auger-electron spectra were measured in coincidence with K{alpha} fluorescent x-rays in studies of Ar K-shell vacancy decays at several photon energies above the K-threshold and on the 1s-4p resonance in atomic argon. The complex spectra recorded by conventional electron spectroscopy are greatly simplified when recorded in coincidence with fluorescent x-rays, allowing a more detailed analysis of the vacancy cascade process. The resulting coincidence spectra are compared with Hartree-Fock calculations which include shake-up transitions in the resonant case. Small energy shifts of the coincidence electron spectra are attributed to post-collision interaction with 1s photoelectrons.

  14. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules.......This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules....

  15. Development of wavelength-dispersive soft X-ray emission spectrometers for transmission electron microscopes--an introduction of valence electron spectroscopy for transmission electron microscopy.

    Science.gov (United States)

    Terauchi, Masami; Koike, Masato; Fukushima, Kurio; Kimura, Atsushi

    2010-01-01

    Two types of wavelength-dispersive soft X-ray spectrometers, a high-dispersion type and a conventional one, for transmission electron microscopes were constructed. Those spectrometers were used to study the electronic states of valence electrons (bonding electrons). Both spectrometers extended the acceptable energy regions to higher than 2000 eV. The best energy resolution of 0.08 eV was obtained for an Al L-emission spectrum by using the high-dispersion type spectrometer. By using the spectrometer, C K-emission of carbon allotropes, Cu L-emission of Cu(1-x)Zn(x) alloys and Pt M-emission spectra were presented. The FWHM value of 12 eV was obtained for the Pt Malpha-emission peak. The performance of the conventional one was also presented for ZnS and a section specimen of a multilayer device. W-M and Si-K emissions were clearly resolved. Soft X-ray emission spectroscopy based on transmission electron microscopy (TEM) has an advantage for obtaining spectra from a single crystalline specimen with a defined crystal setting. As an example of anisotropic soft X-ray emission, C K-emission spectra of single crystalline graphite with different crystal settings were presented. From the spectra, density of states of pi- and sigma-bondings were separately derived. These results demonstrated a method to analyse the electronic states of valence electrons of materials in the nanometre scale based on TEM.

  16. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    Energy Technology Data Exchange (ETDEWEB)

    Morini, Filippo; Deleuze, Michael Simon, E-mail: michael.deleuze@uhasselt.be [Center of Molecular and Materials Modelling, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium); Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

    2015-10-07

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  17. Efficient spin-to-charge conversion in the 2D electron liquid at the LAO/STO interface

    Science.gov (United States)

    Chauleau, J.-Y.; Boselli, M.; Gariglio, S.; Weil, R.; de Loubens, G.; Triscone, J.-M.; Viret, M.

    2016-10-01

    Spin-to-charge conversion using the inverse Rashba-Edelstein effect is measured in the 2D electron liquid existing at the interface between LaAlO3 and SrTiO3. The effect is found to be larger than in the highly Rashba split Bi/Ag interface which we attribute to an amplifying effect due to a long carrier's momentum lifetime. The explanation is supported by temperature measurements and the Rashba field is also shown to be anisotropic in the interface plane.

  18. Structural characterization of titania by X-ray diffraction, photoacoustic, Raman spectroscopy and electron paramagnetic resonance spectroscopy.

    Science.gov (United States)

    Kadam, R M; Rajeswari, B; Sengupta, Arijit; Achary, S N; Kshirsagar, R J; Natarajan, V

    2015-02-25

    A titania mineral (obtained from East coast, Orissa, India) was investigated by X-ray diffraction (XRD), photoacoustic spectroscopy (PAS), Raman and Electron Paramagnetic Resonance (EPR) studies. XRD studies indicated the presence of rutile (91%) and anatase (9%) phases in the mineral. Raman investigation supported this information. Both rutile and anatase phases have tetragonal structure (rutile: space group P4(2)/mnm, a=4.5946(1) Å, c=2.9597(1) Å, V=62.48(1) (Å)(3), Z=2; anatase: space group I4(1)/amd, 3.7848(2) Å, 9.5098(11) Å, V=136.22(2) (Å)(3), Z=4). The deconvoluted PAS spectrum showed nine peaks around 335, 370, 415,485, 555, 605, 659, 690,730 and 785 nm and according to the ligand field theory, these peaks were attributed to the presence of V(4+), Cr(3+), Mn(4+) and Fe(3+) species. EPR studies revealed the presence of transition metal ions V(4+)(d(1)), Cr(3+)(d(3)), Mn(4+)(d(3)) and Fe(3+)(d(5)) at Ti(4+) sites. The EPR spectra are characterized by very large crystal filed splitting (D term) and orthorhombic distortion term (E term) for multiple electron system (s>1) suggesting that the transition metal ions substitute the Ti(4+) in the lattice which is situated in distorted octahedral coordination of oxygen. The possible reasons for observation of unusually large D and E term in the EPR spectra of transition metal ions (S=3/2 and 5/2) are discussed.

  19. Investigation of the molecular conformations of ethanol using electron momentum spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ning, C G; Luo, Z H; Huang, Y R; Liu, K; Zhang, S F; Deng, J K [Department of Physics and Key Laboratory of Atomic and Molecular NanoSciences of MOE, Tsinghua University, Beijing 100084 (China); Hajgato, B; Morini, F; Deleuze, M S [Research Group of Theoretical Chemistry, Department SBG, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium)], E-mail: ningcg@tsinghua.edu.cn, E-mail: djk-dmp@tsinghua.edu.cn, E-mail: michael.deleuze@uhasselt.be

    2008-09-14

    The valence electronic structure and momentum-space electron density distributions of ethanol have been investigated with our newly constructed high-resolution electron momentum spectrometer. The measurements are compared to thermally averaged simulations based on Kohn-Sham (B3LYP) orbital densities as well as one-particle Green's function calculations of ionization spectra and Dyson orbital densities, assuming Boltzmann's statistical distribution of the molecular structure over the two energy minima defining the anti and gauche conformers. One-electron ionization energies and momentum distributions in the outer-valence region were found to be highly dependent upon the molecular conformation. Calculated momentum distributions indeed very sensitively reflect the distortions and topological changes that molecular orbitals undergo due to the internal rotation of the hydroxyl group, and thereby exhibit variations which can be traced experimentally. The B3LYP model Kohn-Sham orbital densities are overall in good agreement with the experimental distributions, and closely resemble benchmark ADC(3) Dyson orbital densities. Both approaches fail to quantitatively reproduce the experimental momentum distributions characterizing the highest occupied molecular orbital. Since electron momentum spectroscopy measurements at various electron impact energies indicate that the plane wave impulse approximation is valid, this discrepancy between theory and experiment is tentatively ascribed to thermal disorder, i.e. large-amplitude and thermally induced dynamical distortions of the molecular structure in the gas phase.

  20. Magnetic dynamics studied by high-resolution electron spectroscopy and time-resolved electron microscopy

    Science.gov (United States)

    Jayaraman, Rajeswari

    Future information technology requires an increased magnetically encoded data density and novel electromagnetic modes of data transfer. While to date magnetic properties are observed and characterized mostly statically, the need emerges to monitor and capture their fast dynamics. In this talk, I will focus on the spin dynamics i.e. spin wave excitations and the dynamics of a new topological distribution of spins termed ``skyrmions''. Wave packets of spin waves offer the unique capability to transport a quantum bit, the spin, without the transport of charge or mass. Here, large wave-vector spin waves are of particular interest as they admit spin localization within a few nanometers. By using our recently developed electron energy loss spectrometer, we could study such spin waves in ultrathin films with an unprecedented energy resolution of 4 meV. By virtue of the finite penetration depth of low energy electrons, spin waves localized at interfaces between a substrate and a thin capping layer can be been studied yielding information about the exchange coupling between atoms at the interface. The quantization of spin waves with wave vectors perpendicular to the film gives rise to standing modes to which EELS has likewise access. Such studies when carried out as function of the film thickness again yield information on the layer dependence of the exchange coupling. Magnetic skyrmions are promising candidates as information carriers in logic or storage devices. Currently, little is known about the influence of disorder, defects, or external stimuli on the spatial distribution and temporal evolution of the skyrmion lattice. In this talk, I will describe the dynamical role of disorder in a large and flat thin film of Cu2OSeO3, exhibiting a skyrmion phase in an insulating material. We image up to 70,000 skyrmions by means of cryo-Lorentz Transmission Electron Microscopy as a function of the applied magnetic field. In the skyrmion phase, dislocations are shown to cause the

  1. Energy loss spectroscopy of Buckminster C60 with twisted electrons: Influence of orbital angular momentum transfer on plasmon generation

    CERN Document Server

    Schüler, M

    2016-01-01

    Recent experimental progress in creating and controlling singular electron beams that carry orbital angular momentum allows for new types of local spectroscopies. We theoretically investigate the twisted-electron energy loss spectroscopy (EELS) from the C60 fullerene. Of particular interest are the strong multipolar collective excitations and their selective response to the orbital angular momentum of the impinging electron beam. Based on ab-initio calculations for the collective response we compute EELS signals with twisted electron beams and uncover the interplay between the plasmon polarity and the amount of angular momentum transfer.

  2. Electron paramagnetic resonance spectroscopy in radiation research: Current status and perspectives

    Directory of Open Access Journals (Sweden)

    Sudha Rana

    2010-01-01

    Full Text Available Exposure to radiation leads to a number of health-related malfunctions. Ionizing radiation is more harmful than non-ionizing radiation, as it causes both direct and indirect effects. Irradiation with ionizing radiation results in free radical-induced oxidative stress. Free radical-mediated oxidative stress has been implicated in a plethora of diseased states, including cancer, arthritis, aging, Parkinson′s disease, and so on. Electron Paramagnetic Resonance (EPR spectroscopy has various applications to measure free radicals, in radiation research. Free radicals disintegrate immediately in aqueous environment. Free radicals can be detected indirectly by the EPR spin trapping technique in which these forms stabilize the radical adduct and produce characteristic EPR spectra for specific radicals. Ionizing radiation-induced free radicals in calcified tissues, for example, teeth, bone, and fingernail, can be detected directly by EPR spectroscopy, due to their extended stability. Various applications of EPR in radiation research studies are discussed in this review.

  3. Electron spin resonance spectroscopy for the study of nanomaterial-mediated generation of reactive oxygen species

    Directory of Open Access Journals (Sweden)

    Weiwei He

    2014-03-01

    Full Text Available Many of the biological applications and effects of nanomaterials are attributed to their ability to facilitate the generation of reactive oxygen species (ROS. Electron spin resonance (ESR spectroscopy is a direct and reliable method to identify and quantify free radicals in both chemical and biological environments. In this review, we discuss the use of ESR spectroscopy to study ROS generation mediated by nanomaterials, which have various applications in biological, chemical, and materials science. In addition to introducing the theory of ESR, we present some modifications of the method such as spin trapping and spin labeling, which ultimately aid in the detection of short-lived free radicals. The capability of metal nanoparticles in mediating ROS generation and the related mechanisms are also presented.

  4. Exploring the time-scale of photo-initiated interfacial electron transfer through first-principles interpretation of ultrafast X-ray spectroscopy (Presentation Recording)

    Science.gov (United States)

    Prendergast, David; Pemmaraju, Sri Chaitanya Das

    2015-09-01

    With the advent of X-ray free electron lasers and table-top high-harmonic-generation X-ray sources, we can now explore changes in electronic structure on ultrafast time scales -- at or less than 1ps. Transient X-ray spectroscopy of this kind provides a direct probe of relevant electronic levels related to photoinitiated processes and associated interfacial electron transfer as the initial step in solar energy conversion. However, the interpretation of such spectra is typically fraught with difficulty, especially since we rarely have access to spectral standards for nonequilibrium states. To this end, direct first-principles simulations of X-ray absorption spectra can provide the necessary connection between measurements and reliable models of the atomic and electronic structure. We present examples of modeling excited states of materials interfaces relevant to solar harvesting and their corresponding X-ray spectra in either photoemission or absorption modalities. In this way, we can establish particular electron transfer mechanisms to reveal detailed working principles of materials systems in solar applications and provide insight for improved efficiency.

  5. Elucidation of population and coherence dynamics using cross-peaks in two-dimensional electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Y.-C.; Engel, Gregory S. [Department of Chemistry and QB3 Institute, University of California, Berkeley (United States) and Physical Bioscience Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Fleming, Graham R. [Department of Chemistry and QB3 Institute, University of California, Berkeley (United States) and Physical Bioscience Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)], E-mail: GRFleming@lbl.gov

    2007-11-15

    In this work, we perform a theoretical study on the dynamics and two-dimensional electronic spectroscopy of a model trimer system and compare the results to experimental data on the Fenna-Matthews-Olson protein. We combine a time-nonlocal quantum master equation formalism and the recently developed method for the efficient calculation of third-order photon echo polarization [M.F. Gelin, D. Egorova, W.J. Domcke, J. Chem. Phys. 123 (2005) 164112] to simulate the 2D electronic spectra of the model system, and compare the time-evolution of the amplitude of cross-peaks to the coherent relaxation dynamics of the system following the excitation by a laser pulse. We show that beats of the upper diagonal peaks in the absolute value 2D spectra provide a direct probe for the coherence dynamics in the system, and the time-evolution of the amplitude of the lower diagonal cross-peaks in the real value 2D spectra can be used to reveal the population transfer among exciton states. Our results verify the intuitive description provided by response functions and demonstrate that the full coherent dynamics in a multichromophoric system can be elucidated using two-dimensional electronic spectroscopy.

  6. Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

    Science.gov (United States)

    Neville, Simon P.; Averbukh, Vitali; Ruberti, Marco; Yun, Renjie; Patchkovskii, Serguei; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

    2016-10-01

    We investigate the sensitivity of X-ray absorption spectra, simulated using a general method, to properties of molecular excited states. Recently, Averbukh and co-workers [M. Ruberti et al., J. Chem. Phys. 140, 184107 (2014)] introduced an efficient and accurate L 2 method for the calculation of excited state valence photoionization cross-sections based on the application of Stieltjes imaging to the Lanczos pseudo-spectrum of the algebraic diagrammatic construction (ADC) representation of the electronic Hamiltonian. In this paper, we report an extension of this method to the calculation of excited state core photoionization cross-sections. We demonstrate that, at the ADC(2)x level of theory, ground state X-ray absorption spectra may be accurately reproduced, validating the method. Significantly, the calculated X-ray absorption spectra of the excited states are found to be sensitive to both geometric distortions (structural dynamics) and the electronic character (electronic dynamics) of the initial state, suggesting that core excitation spectroscopies will be useful probes of excited state non-adiabatic dynamics. We anticipate that the method presented here can be combined with ab initio molecular dynamics calculations to simulate the time-resolved X-ray spectroscopy of excited state molecular wavepacket dynamics.

  7. Electron spectroscopy of rubber and resin-based composites containing 2D carbon

    Energy Technology Data Exchange (ETDEWEB)

    Kaciulis, S., E-mail: saulius.kaciulis@ismn.cnr.it [Institute for the Study of Nanostructured Materials, ISMN-CNR, P.O. Box 10, Monterotondo Stazione, 00015 Roma (Italy); Mezzi, A.; Balijepalli, S.K. [Institute for the Study of Nanostructured Materials, ISMN-CNR, P.O. Box 10, Monterotondo Stazione, 00015 Roma (Italy); Lavorgna, M. [Institute of Polymers, Composites and Biomaterials, IPCB-CNR, P.le Fermi, 80055 Napoli (Italy); Xia, H.S. [State Key Laboratory of Polymer Materials Engineering, Sichuan University, Chengdu, 610065 Sichuan (China)

    2015-04-30

    Composite materials with 2D carbon (graphene and/or single wall carbon nanotubes) are very promising due to their extraordinary electrical and mechanical properties. Graphene and natural rubber composites, which may be used for the gaskets or sealants, were prepared by ultrasonically assisted latex-mixing exfoliation and in-situ reduction process, with two vulcanization approaches: roll-mixing and hot-pressing. Also the resin-based composites, filled with micro-particles of Ag and graphene or carbon nanotubes, have been studied. The standards for the compositional characterization of these materials still are not established. In addition to the mostly used techniques, such as Raman spectroscopy and electron microscopy, also Auger electron spectroscopy can be employed for the identification of graphene. In this study, the shape of C KVV peak, excited by electron beam and X-ray photons, has been investigated in different composite materials containing graphene and carbon nanotubes. A spectroscopic method for 2D carbon recognition, based on the D{sub x} parameter which is determined from C KVV signal excited by X-ray photons, was proposed and verified. Even a small content of graphene in different types of composites was sufficient for this recognition due to the dominating presence of graphene on the surface of composites. - Highlights: • Chemical composition of the rubber composites was determined by XPS. • Auger spectrum of carbon was used for graphene identification in composites. • Small content of graphene was sufficient for its recognition from the D parameter.

  8. Electron beam exposure mechanisms in hydrogen silsesquioxane investigated by vibrational spectroscopy and in-situ electron beam induced desorption

    Energy Technology Data Exchange (ETDEWEB)

    Olynick, D.L.; Cord, B.; Schipotinin, A.; Ogletree, D.F.; Schuck, P.J.

    2009-11-13

    Hydrogen Silsesquioxane (HSQ) is used as a high-resolution resist with resolution down below 10nm half-pitch. This material or materials with related functionalities could have widespread impact in nanolithography and nanoscience applications if the exposure mechanism was understood and instabilities controlled. Here we have directly investigated the exposure mechanism using vibrational spectroscopy (both Raman and Fourier transform Infrared) and electron beam desorption spectrocscopy (EBDS). In the non-networked HSQ system, silicon atoms sit at the corners of a cubic structure. Each silicon is bonded to a hydrogen atom and bridges 3 oxygen atoms (formula: HSiO3/2). For the first time, we have shown, via changes in the Si-H2 peak at ~;;2200 cm -1 in the Raman spectra and the release of SiHx products in EBID, that electron-bam exposed materials crosslinks via a redistribution reaction. In addition, we observe the release of significantly more H2 than SiH2 during EBID, which is indicative of additional reaction mechanisms. Additionally, we compare the behavior of HSQ in response to both thermal and electron-beam induced reactions.

  9. Spin-to-Orbital Angular Momentum Conversion and Spin-Polarization Filtering in Electron Beams

    CERN Document Server

    Karimi, Ebrahim; Grillo, Vincenzo; Santamato, Enrico; 10.1103/PhysRevLett.108.044801

    2012-01-01

    We propose the design of a space-variant Wien filter for electron beams that induces a spin half-turn and converts the corresponding spin angular momentum variation into orbital angular momentum of the beam itself by exploiting a geometrical phase arising in the spin manipulation. When applied to a spatially coherent input spin-polarized electron beam, such a device can generate an electron vortex beam, carrying orbital angular momentum. When applied to an unpolarized input beam, the proposed device, in combination with a suitable diffraction element, can act as a very effective spin-polarization filter. The same approach can also be applied to neutron or atom beams.

  10. High-Resolution Two-Dimensional Optical Spectroscopy of Electron Spins

    Directory of Open Access Journals (Sweden)

    M. Salewski

    2017-08-01

    Full Text Available Multidimensional coherent optical spectroscopy is one of the most powerful tools for investigating complex quantum mechanical systems. While it was conceived decades ago in magnetic resonance spectroscopy using microwaves and radio waves, it has recently been extended into the visible and UV spectral range. However, resolving MHz energy splittings with ultrashort laser pulses still remains a challenge. Here, we analyze two-dimensional Fourier spectra for resonant optical excitation of resident electrons to localized trions or donor-bound excitons in semiconductor nanostructures subject to a transverse magnetic field. Particular attention is devoted to Raman coherence spectra, which allow one to accurately evaluate tiny splittings of the electron ground state and to determine the relaxation times in the electron spin ensemble. A stimulated steplike Raman process induced by a sequence of two laser pulses creates a coherent superposition of the ground-state doublet which can be retrieved only optically because of selective excitation of the same subensemble with a third pulse. This provides the unique opportunity to distinguish between different complexes that are closely spaced in energy in an ensemble. The related experimental demonstration is based on photon-echo measurements in an n-type CdTe/(Cd,MgTe quantum-well structure detected by a heterodyne technique. The difference in the sub-μeV range between the Zeeman splittings of donor-bound electrons and electrons localized at potential fluctuations can be resolved even though the homogeneous linewidth of the optical transitions is larger by 2 orders of magnitude.

  11. Electronic structures of U X3 (X =Al , Ga, and In) studied by photoelectron spectroscopy

    Science.gov (United States)

    Fujimori, Shin-ichi; Kobata, Masaaki; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Haga, Yoshinori; Yamamoto, Etsuji; Ōnuki, Yoshichika

    2017-09-01

    The electronic structures of U X3 (X =Al , Ga , and In ) were studied by photoelectron spectroscopy to understand the relationship between their electronic structures and magnetic properties. The band structures and Fermi surfaces of UAl3 and UGa3 were revealed experimentally by angle-resolved photoelectron spectroscopy (ARPES), and they were compared with the result of band-structure calculations. The topologies of the Fermi surfaces and the band structures of UAl3 and UGa3 were explained reasonably well by the calculation, although bands near the Fermi level (EF) were renormalized owing to the finite electron correlation effect. The topologies of the Fermi surfaces of UAl3 and UGa3 are very similar to each other, except for some minor differences. Such minor differences in their Fermi surface or electron correlation effect might take an essential role in their different magnetic properties. No significant changes were observed between the ARPES spectra of UGa3 in the paramagnetic and antiferromagnetic phases, suggesting that UGa3 is an itinerant weak antiferromagnet. The effect of chemical pressure on the electronic structures of U X3 compounds was also studied by utilizing the smaller lattice constants of UAl3 and UGa3 than that of UIn3. The valence band spectrum of UIn3 is accompanied by a satellitelike structure on the high-binding-energy side. The core-level spectrum of UIn3 is also qualitatively different from those of UAl3 and UGa3. These findings suggest that the U 5 f states in UIn3 are more localized than those in UAl3 and UGa3.

  12. Broadband velocity modulation spectroscopy of HfF^+: towards a measurement of the electron electric dipole moment

    CERN Document Server

    Cossel, Kevin C; Sinclair, Laura C; Coffey, Tyler; Skripnikov, Leonid V; Petrov, Alexander N; Mosyagin, Nikolai S; Titov, Anatoly V; Field, Robert W; Meyer, Edmund R; Cornell, Eric A; Ye, Jun

    2012-01-01

    Precision spectroscopy of trapped HfF^+ will be used in a search for the permanent electric dipole moment of the electron (eEDM). While this dipole moment has yet to be observed, various extensions to the standard model of particle physics (such as supersymmetry) predict values that are close to the current limit. We present extensive survey spectroscopy of 19 bands covering nearly 5000 cm^(-1) using both frequency-comb and single-frequency laser velocity-modulation spectroscopy. We obtain high-precision rovibrational constants for eight electronic states including those that will be necessary for state preparation and readout in an actual eEDM experiment.

  13. Electroreflectance spectroscopy as a probe of the electronic structure at the metal-electronic interface

    Energy Technology Data Exchange (ETDEWEB)

    Ho, K.M.; Liu, S.H.

    1984-01-01

    The electromagnetic response of a surface is influenced by the surface electronic structure. In particular, the existence of surface states in band gaps can lead to optical absorption below the bulk interband threshold. However, such effects are usually too small to be observed because while surface states are localized within several atomic layers near the surface, light waves can penetrate at least hundreds of layers into the metal. One way to enhance the surface effect for a metallic surface is to make use of electromodulation techniques. When a metal is placed in an electrolyte, an intense electric field (approx. 10/sup 7/ volts/cm) can be induced at the metal-electrolyte boundary with the application of a bias voltage of less than a volt. Electroreflectance (ER) experiments modulate the bias voltage and measure the resultant modulations in the optical reflectivity. Since the static electric field is highly localized at the interface (the Fermi-Thomas screening length for typical metals is of the order of Angstroms) we expect the ER effect to be highly surface sensitive. Sensitivities in ..delta..R/R up to 10/sup -6/ can be achieved in such experiments. 12 references.

  14. Electron structure of excited configurations in Ca2V2O7 studied by electron-induced core-ionization loss spectroscopy, appearance-potential spectroscopy, and x-ray-photoelectron spectroscopy

    Science.gov (United States)

    Curelaru, I. M.; Strid, K.-G.; Suoninen, E.; Minni, E.; Rönnhult, T.

    1981-04-01

    We have measured the electron-induced core-ionization loss (CILS) spectra, the appearance-potential (APS) spectra, and the x-ray-photoelectron (XPS) spectra of Ca2V2O7, that is a prototype for a series of luminescent materials with general formula M2V2O7(M=Mg, Ca, Sr, Ba, Zn, Cd, Hg). From the analysis of the data provided by the edge spectroscopies (CILS and APS) and their comparison with the XPS binding energies, we deduced the electronic structure of the outer orbitals (occupied and empty) involved in these processes. Our data illustrate the strong many-body effects that occur in the excitation and decay of localized atomiclike configurations within the big ionic cluster V2O4-7. Excitation of core levels in calcium, outside the V2O4-7 ion, seems to involve more extended orbitals, since the screening is more efficient. Usefulness of complementary studies by x-ray emission and Auger electron spectroscopy is anticipated.

  15. Al-doped MgB2 materials studied using electron paramagnetic resonance and Raman spectroscopy

    Science.gov (United States)

    Bateni, Ali; Erdem, Emre; Repp, Sergej; Weber, Stefan; Somer, Mehmet

    2016-05-01

    Undoped and aluminum (Al) doped magnesium diboride (MgB2) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB2 samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB2. Above a certain level of Al doping, enhanced conductive properties of MgB2 disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

  16. Strong overtones modes in inelastic electron tunneling spectroscopy with cross-conjugated molecules

    DEFF Research Database (Denmark)

    Jørgensen, Jacob Lykkebo; Gagliardi, Alessio; Pecchia, Alessandro

    2013-01-01

    . With this in mind, we investigate a spectroscopic method capable of providing insight into these junctions for cross-conjugated molecules: inelastic electron tunneling spectroscopy (IETS). IETS has the advantage that the molecule interface is probed directly by the tunneling current. Previously, it has been thought...... of the transmission channels of the π system only, and consequently, in the vicinity of the interference feature, the transmission channels of the σ system and the π system become equally transmissive. This allows for scattering between the different transmission channels, which serves as a pathway to bypass...

  17. Two-dimensional electronic spectroscopy in the ultraviolet by a birefringent delay line.

    Science.gov (United States)

    Borrego-Varillas, Rocio; Oriana, Aurelio; Ganzer, Lucia; Trifonov, Anton; Buchvarov, Ivan; Manzoni, Cristian; Cerullo, Giulio

    2016-12-12

    We introduce a 2D electronic spectroscopy setup in the UV spectral range in the partially collinear pump-probe geometry. The required interferometrically phase-locked few-optical-cycle UV pulse pair is generated by combining a passive birefringent interferometer in the visible and nonlinear phase transfer. This is achieved by sum-frequency generation between the phase-locked visible pulse pair and narrowband infrared pulses. We demonstrate a pair of 16-fs, 330-nm pulses whose delay is interferometrically stable with an accuracy better than λ/450. 2DUV maps of pyrene solution probed in the UV and visible spectral ranges are demonstrated.

  18. Recent Developments of an Opto-Electronic THz Spectrometer for High-Resolution Spectroscopy

    Directory of Open Access Journals (Sweden)

    Guillaume Ducournau

    2009-11-01

    Full Text Available A review is provided of sources and detectors that can be employed in the THz range before the description of an opto-electronic source of monochromatic THz radiation. The realized spectrometer has been applied to gas phase spectroscopy. Air-broadening coefficients of HCN are determined and the insensitivity of this technique to aerosols is demonstrated by the analysis of cigarette smoke. A multiple pass sample cell has been used to obtain a sensitivity improvement allowing transitions of the volatile organic compounds to be observed. A solution to the frequency metrology is presented and promises to yield accurate molecular line center measurements.

  19. Application of Electron Energy Loss Spectroscopy for Single Wall Carbon Nanotubes (Review)

    Science.gov (United States)

    Mittal, N.; Jain, S.; Mittal, J.

    2015-03-01

    Electron energy loss spectroscopy (EELS) is among the few techniques that are available for the characterization of modified single wall carbon nanotubes (SWCNTs) having nanometer dimensions (~1-3 nm). CNTs can be modified either by surface functionalization or coating, between bundles of nanotubes by doping, intercalation and fully or partially filling the central core. EELS is an exclusive technique for the identification, composition analysis, and crystallization studies of the chemicals and materials used for the modification of SWCNTs. The present paper serves as a compendium of research work on the application of EELS for the characterization of modified SWCNTs.

  20. Ordering of PCDTBT revealed by time-resolved electron paramagnetic resonance spectroscopy of its triplet excitons.

    Science.gov (United States)

    Biskup, Till; Sommer, Michael; Rein, Stephan; Meyer, Deborah L; Kohlstädt, Markus; Würfel, Uli; Weber, Stefan

    2015-06-22

    Time-resolved electron paramagnetic resonance (TREPR) spectroscopy is shown to be a powerful tool to characterize triplet excitons of conjugated polymers. The resulting spectra are highly sensitive to the orientation of the molecule. In thin films cast on PET film, the molecules' orientation with respect to the surface plane can be determined, providing access to sample morphology on a microscopic scale. Surprisingly, the conjugated polymer investigated here, a promising material for organic photovoltaics, exhibits ordering even in bulk samples. Orientation effects may significantly influence the efficiency of solar cells, thus rendering proper control of sample morphology highly important.

  1. Experimental and Theoretical Investigation of Valence Orbitals in 1,4-Dioxane by Electron momentum Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    YANG Tie-Cheng; NING Chuan-Gang; SU Guo-Lin; DENG Jing-Kang; ZHANG Shu-Feng; REN Xue-Guang; HUANG Yan-Ru

    2006-01-01

    @@ The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital (HOMO: 8ag), 7bu + 7ag, 4bu, 2bg + 4ag and 2au in 1, 4-dioxane are investigated by electron momentum spectroscopy (EMS) with 600 e V impact energy. The experimental results are consistent with theoretical calculations of C2h chair conformation using the Hartree-Fock method and density functional theory with 6-311++G**and A UG-CC-PVTZ basis sets.

  2. Broadband 2D electronic spectroscopy reveals a carotenoid dark state in purple bacteria.

    Science.gov (United States)

    Ostroumov, Evgeny E; Mulvaney, Rachel M; Cogdell, Richard J; Scholes, Gregory D

    2013-04-01

    Although the energy transfer processes in natural light-harvesting systems have been intensively studied for the past 60 years, certain details of the underlying mechanisms remain controversial. We performed broadband two-dimensional (2D) electronic spectroscopy measurements on light-harvesting proteins from purple bacteria and isolated carotenoids in order to characterize in more detail the excited-state manifold of carotenoids, which channel energy to bacteriochlorophyll molecules. The data revealed a well-resolved signal consistent with a previously postulated carotenoid dark state, the presence of which was confirmed by global kinetic analysis. The results point to this state's role in mediating energy flow from carotenoid to bacteriochlorophyll.

  3. Characterization methodology for pseudomorphic high electron mobility transistors using surface photovoltage spectroscopy

    Science.gov (United States)

    Solodky, S.; Leibovitch, M.; Ashkenasy, N.; Hallakoun, I.; Rosenwaks, Y.; Shapira, Yoram

    2000-12-01

    Pseudomorphic high electron mobility transistor structures have been characterized using surface photovoltage spectroscopy and numerical simulations. According to the effect of the electric fields in different regions of the device on the surface photovoltage spectra, a simple empirical model that correlates the spectral parameters and electrical parameters of the structure has been developed. The spectra and their analysis are shown to provide values for the electrical parameters of the structure. The sensitivity of the technique to the device electrical parameters is shown by three different examples. In these examples, the differences in doping level and surface charge have been monitored as well as the nonuniformity of doping level across the wafer.

  4. Electron momentum spectroscopy of norbornadiene at the benchmark ADC(3) level.

    Science.gov (United States)

    Morini, Filippo; Hajgató, Balázs; Deleuze, Michael S

    2010-09-02

    An extensive study, throughout the valence region, of the electronic structure, ionization spectrum, and electron momentum distributions of norbornadiene is presented, on the ground of accurate calculations of valence one-electron and shake-up ionization energies and of the related Dyson orbitals, using one-particle Green's function (1p-GF) theory in conjunction with the so-called third-order algebraic diagrammatic construction scheme [ADC(3)]. Comparison is made with results obtained from standard (B3LYP) Kohn-Sham orbitals and measurements employing electron momentum spectroscopy, taking into account the contamination of inner- and outer-valence spectral bands by numerous shake-up states. Four relatively intense shake-up lines at 12.1, 16.4, 17.6, and 17.8 eV are found to yield recognizable spectral fingerprints in the EMS experiments. Valence bands at electron binding energies larger than 20 eV are subject to a complete breakdown of the orbital picture of ionization.

  5. Time-of-flight electron energy loss spectroscopy using TM110 deflection cavities

    Directory of Open Access Journals (Sweden)

    W. Verhoeven

    2016-09-01

    Full Text Available We demonstrate the use of two TM110 resonant cavities to generate ultrashort electron pulses and subsequently measure electron energy losses in a time-of-flight type of setup. The method utilizes two synchronized microwave cavities separated by a drift space of 1.45 m. The setup has an energy resolution of 12 ± 2 eV FWHM at 30 keV, with an upper limit for the temporal resolution of 2.7 ± 0.4 ps. Both the time and energy resolution are currently limited by the brightness of the tungsten filament electron gun used. Through simulations, it is shown that an energy resolution of 0.95 eV and a temporal resolution of 110 fs can be achieved using an electron gun with a higher brightness. With this, a new method is provided for time-resolved electron spectroscopy without the need for elaborate laser setups or expensive magnetic spectrometers.

  6. Time-of-flight electron energy loss spectroscopy using TM110 deflection cavities.

    Science.gov (United States)

    Verhoeven, W; van Rens, J F M; van Ninhuijs, M A W; Toonen, W F; Kieft, E R; Mutsaers, P H A; Luiten, O J

    2016-09-01

    We demonstrate the use of two TM110 resonant cavities to generate ultrashort electron pulses and subsequently measure electron energy losses in a time-of-flight type of setup. The method utilizes two synchronized microwave cavities separated by a drift space of 1.45 m. The setup has an energy resolution of 12 ± 2 eV FWHM at 30 keV, with an upper limit for the temporal resolution of 2.7 ± 0.4 ps. Both the time and energy resolution are currently limited by the brightness of the tungsten filament electron gun used. Through simulations, it is shown that an energy resolution of 0.95 eV and a temporal resolution of 110 fs can be achieved using an electron gun with a higher brightness. With this, a new method is provided for time-resolved electron spectroscopy without the need for elaborate laser setups or expensive magnetic spectrometers.

  7. Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole.

    Science.gov (United States)

    Wilke, Josefin; Wilke, Martin; Meerts, W Leo; Schmitt, Michael

    2016-01-28

    The dipole moments of the ground and lowest electronically excited singlet state of 5-methoxyindole have been determined by means of optical Stark spectroscopy in a molecular beam. The resulting spectra arise from a superposition of different field configurations, one with the static electric field almost parallel to the polarization of the exciting laser radiation, the other nearly perpendicular. Each field configuration leads to different intensities in the rovibronic spectrum. With an automated evolutionary algorithm approach, the spectra can be fit and the ratio of both field configurations can be determined. A simultaneous fit of two spectra with both field configurations improved the precision of the dipole moment determination by a factor of two. We find a reduction of the absolute dipole moment from 1.59(3) D to 1.14(6) D upon electronic excitation to the lowest electronically excited singlet state. At the same time, the dipole moment orientation rotates by 54(∘) showing the importance of the determination of the dipole moment components. The dipole moment in the electronic ground state can approximately be obtained from a vector addition of the indole and the methoxy group dipole moments. However, in the electronically excited state, vector addition completely fails to describe the observed dipole moment. Several reasons for this behavior are discussed.

  8. Time-of-flight electron energy loss spectroscopy using TM110 deflection cavities

    Science.gov (United States)

    Verhoeven, W.; van Rens, J. F. M.; van Ninhuijs, M. A. W.; Toonen, W. F.; Kieft, E. R.; Mutsaers, P. H. A.; Luiten, O. J.

    2016-01-01

    We demonstrate the use of two TM110 resonant cavities to generate ultrashort electron pulses and subsequently measure electron energy losses in a time-of-flight type of setup. The method utilizes two synchronized microwave cavities separated by a drift space of 1.45 m. The setup has an energy resolution of 12 ± 2 eV FWHM at 30 keV, with an upper limit for the temporal resolution of 2.7 ± 0.4 ps. Both the time and energy resolution are currently limited by the brightness of the tungsten filament electron gun used. Through simulations, it is shown that an energy resolution of 0.95 eV and a temporal resolution of 110 fs can be achieved using an electron gun with a higher brightness. With this, a new method is provided for time-resolved electron spectroscopy without the need for elaborate laser setups or expensive magnetic spectrometers. PMID:27704035

  9. P.U.R.E. (purposeful, unambiguous, respectful, and effective) Conversations and electronic fetal monitoring: gaining consensus and collaboration.

    Science.gov (United States)

    Veltman, Larry; Larison, Kristine

    2010-11-01

    A revised nomenclature regarding electronic fetal heart rate monitoring was accepted at a National Institute of Child Health and Human Development consensus conference in 2008. At the heart of patient safety are communication strategies that enhance teamwork and collaboration between health care professionals. Communications is a complex 2-way process that involves more than transfer of factual information. P.U.R.E. (purposeful, unambiguous, respectful, and effective) Conversations in Obstetrics is an acronym that helps facilitate this communication process in perinatal care. P.U.R.E. stands for purposeful, unambiguous, respectful, and effective. The P.U.R.E. Conversations approach involves refinement of the mental processes associated with delivering the message, delivery of the message with data, accuracy, and direct requests for action, attention to relationships and behaviors between the communicating parties, and real-time assessment of the effectiveness of the communication. When the new electronic monitoring nomenclature is combined with an effective communication tool, one could expect to see a reduction in communication failures that could lead to adverse perinatal outcomes.

  10. Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer

    Science.gov (United States)

    Yao, Hiroshi; Tsubota, Shuhei

    2017-08-01

    In this article, isolation, exploration of electronic structures, and nuclearity conversion of water-soluble triphenylphosphine monosulfonate (TPPS)-protected nonagold (Au9) clusters are outlined. The Au9 clusters are obtained by the reduction of solutions containing TPPS and HAuCl4 and subsequent electrophoretic fractionation. Mass spectrometry and elemental analysis reveal the formation of [Au9(TPPS)8]5- nonagold cluster. UV-vis absorption and magnetic circular dichroism (MCD) spectra of aqueous [Au9(TPPS)8]5- are quite similar to those of [Au9(PPh3)8]3+ in organic solvent, so the solution-phase structures are likely similar for both systems. Simultaneous deconvolution analysis of absorption and MCD spectra demonstrates the presence of some weak electronic transitions that are essentially unresolved in the UV-vis absorption. Quantum chemical calculations for a model compound [Au9(pH3)8]3+ show that the possible (solution-phase) skeletal structure of the nonagold cluster has D2h core symmetry rather than C4-symmetrical centered crown conformation, which is known as the crystal form of the Au9 compound. Moreover, we find a new nuclearity conversion route from Au9 to Au8; that is, phase transfer of aqueous [Au9(TPPS)8]5- into chloroform using tetraoctylammonium bromide yields [Au8(TPPS)8]6- clusters in the absence of excess phosphine.

  11. The Conversion of CESR to Operate as the Test Accelerator, CesrTA, Part 3: Electron Cloud Diagnostics

    CERN Document Server

    Billing, M G; Crittendan, J A; Greenwald, S; Li, Y; Meller, R E; Strohman, C R; Sikora, J P; Calvey, J R; Palmer, M A

    2015-01-01

    Cornell's electron/positron storage ring (CESR) was modified over a series of accelerator shutdowns beginning in May 2008, which substantially improves its capability for research and development for particle accelerators. CESR's energy span from 1.8 to 5.6 GeV with both electrons and positrons makes it ideal for the study of a wide spectrum of accelerator physics issues and instrumentation related to present light sources and future lepton damping rings. Additionally a number of these are also relevant for the beam physics of proton accelerators. This paper is the third in a series of four describing the the conversion of CESR to the test accelerator, CesrTA. The first two papers discuss the overall plan for the conversion of the storage ring to an instrument capable of studying advanced accelerator physics issues and the details of the vacuum system upgrades. This paper focusses on the necessary development of new instrumentation, situated in four dedicated experimental regions, capable of studying such phe...

  12. A New Cost-Effective Multi-Drive Solution based on a Two-Stage Direct Power Electronic Conversion Topology

    DEFF Research Database (Denmark)

    Klumpner, Christian; Blaabjerg, Frede

    2002-01-01

    The matrix converter is a single stage AC/AC converter, which is able to provide sinusoidal PWM output voltages and input currents, inherent bi-directional power flow with no need of bulky DC-capacitors and large line inductors. However, the increased number of active switches (18) and the need o...... shared by many loads, making this topology more cost effective. The functionality of the proposed two-stage multi-drive direct power electronic conversion topology is validated by experiments on a realistic laboratory prototype.......The matrix converter is a single stage AC/AC converter, which is able to provide sinusoidal PWM output voltages and input currents, inherent bi-directional power flow with no need of bulky DC-capacitors and large line inductors. However, the increased number of active switches (18) and the need...... of a protection circuit involving twelve diodes with full voltage/current ratings used only during faulty situations, makes this topology not so attractive. Lately, two stage Direct Power Electronic Conversion (DPEC) topologies have been proposed, providing similar functionality as a matrix converter but allowing...

  13. Electron Energy-Loss Spectroscopy Theory and Simulation Applied to Nanoparticle Plasmonics

    Science.gov (United States)

    Bigelow, Nicholas Walker

    In this dissertation, the capacity of electron energy-loss spectroscopy (EELS) to probe plasmons is examined in detail. EELS is shown to be able to detect both electric hot spots and Fano resonances in contrast to the prevailing knowledge prior to this work. The most detailed examination of magnetoplasmonic resonances in multi-ring structures to date and the utility of electron tomography to computational plasmonics is explored, and a new tomographic method for the reconstruction of a target is introduced. Since the observation of single-molecule surface-enhanced Raman scattering (SMSERS) in 1997, questions regarding the nature of the electromagnetic hot spots responsible for such observations still persist. A computational analysis of the electron- and photon-driven surface-plasmon resonances of monomer and dimer metal nanorods is presented to elucidate the differences and similarities between the two excitation mechanisms in a system with well understood optical properties. By correlating the nanostructure's simulated electron energy loss spectrum and loss-probability maps with its induced polarization and scattered electric field we discern how certain plasmon modes are selectively excited and how they funnel energy from the excitation source into the near- and far-field. Using a fully retarded electron-scattering theory capable of describing arbitrary three-dimensional nanoparticle geometries, aggregation schemes, and material compositions, we find that electron energy-loss spectroscopy (EELS) is able to indirectly probe the same electromagnetic hot spots that are generated by an optical excitation source. EELS is then employed in a scanning transmission electron microscope (STEM) to obtain maps of the localized surface plasmon modes of SMSERS-active nanostructures, which are resolved in both space and energy. Single-molecule character is confirmed by the bianalyte approach using two isotopologues of Rhodamine 6G. The origins of this observation are explored

  14. Influence on electron energy loss spectroscopy of the niobium-substituted uranium atom: A density functional theory study

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    We present the electronic structure and electron energy loss spectroscopy (EELS) for uranium, niobium and U3Nb in which uranium is substituted by niobium. Comparing the electronic structures and optical properties for uranium, niobium and U3Nb, we found that when niobium atom replaces uranium atom in the center lattice, density of state (DOS) of U3Nb shifts downward to low energy. Niobium affects DOS forfand d electrons more than that for p and s electrons. U3Nb is similar to uranium for the electronic energy loss spectra.

  15. Electronic structure of MgB2 from angle-resolved photoemission spectroscopy.

    Science.gov (United States)

    Uchiyama, H; Shen, K M; Lee, S; Damascelli, A; Lu, D H; Feng, D L; Shen, Z-X; Tajima, S

    2002-04-15

    The first angle-resolved photoemission spectroscopy results from MgB2 single crystals are reported. Along the GammaK and GammaM directions, we observed three distinct dispersive features approaching the Fermi energy. These can be assigned to the theoretically predicted sigma (B 2p(x,y)) and pi (B 2p(z)) bands. In addition, a small parabolic-like band is detected around the Gamma point, which can be attributed to a surface-derived state. The overall agreement between our results and the band calculations suggests that the electronic structure of MgB2 is of a conventional nature, thus implying that electron correlations are weak and may be of little importance to superconductivity in this system.

  16. Electron energy loss spectroscopy techniques for the study of microbial chromium(VI) reduction

    Science.gov (United States)

    Daulton, Tyrone L.; Little, Brenda J.; Lowe, Kristine; Jones-Meehan, Joanne

    2002-01-01

    Electron energy loss spectroscopy (EELS) techniques were used to determine oxidation state, at high spatial resolution, of chromium associated with the metal-reducing bacteria, Shewanella oneidensis, in anaerobic cultures containing Cr(VI)O4(2-). These techniques were applied to fixed cells examined in thin section by conventional transmission electron microscopy (TEM) as well as unfixed, hydrated bacteria examined by environmental cell (EC)-TEM. Two distinct populations of bacteria were observed by TEM: bacteria exhibiting low image contrast and bacteria exhibiting high contrast in their cell membrane (or boundary) structure which was often encrusted with high-contrast precipitates. Measurements by EELS demonstrated that cell boundaries became saturated with low concentrations of Cr and the precipitates encrusting bacterial cells contained a reduced form of Cr in oxidation state + 3 or lower.

  17. Electron energy loss spectroscopy of excitons in two-dimensional-semiconductors as a function of temperature

    KAUST Repository

    Tizei, Luiz H. G.

    2016-04-21

    We have explored the benefits of performing monochromated Electron Energy Loss Spectroscopy(EELS) in samples at cryogenic temperatures. As an example, we have observed the excitonic absorption peaks in single layer Transition Metal Dichalcogenides. These peaks appear separated by small energies due to spin orbit coupling. We have been able to distinguish the split for MoS2 below 300 K and for MoSe2 below 220 K. However, the distinction between peaks is only clear at 150 K. We have measured the change in absorption threshold between 150 K and 770 K for MoS2 and MoSe2. We discuss the effect of carbon and ice contamination in EELSspectra. The increased spectral resolution available made possible with modern monochromators in electron microscopes will require the development of stable sample holders which reaches temperatures far below that of liquid nitrogen.

  18. Probing the Spin-Polarized Electronic Band Structure in Monolayer Transition Metal Dichalcogenides by Optical Spectroscopy

    Science.gov (United States)

    Wang, Zefang; Zhao, Liang; Mak, Kin Fai; Shan, Jie

    2017-02-01

    We study the electronic band structure in the K/K' valleys of the Brillouin zone of monolayer WSe2 and MoSe2 by optical reflection and photoluminescence spectroscopy on dual-gated field-effect devices. Our experiment reveals the distinct spin polarization in the conduction bands of these compounds by a systematic study of the doping dependence of the A and B excitonic resonances. Electrons in the highest-energy valence band and the lowest-energy conduction band have antiparallel spins in monolayer WSe2, and parallel spins in monolayer MoSe2. The spin splitting is determined to be hundreds of meV for the valence bands and tens of meV for the conduction bands, which are in good agreement with first principles calculations. These values also suggest that both n- and p-type WSe2 and MoSe2 can be relevant for spin- and valley-based applications

  19. Electron spectroscopy and microscopy applied to chemical and structural analysis of hair.

    Science.gov (United States)

    Beard, B C; Johnson, A; Cambria, F M; Trinh, P N

    2005-01-01

    The application of surface specific x-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) will be shown to be an effective means for the elucidation of hair fiber surface chemistry and structure. Example studies of bleaching and fiber conditioning treatments are discussed. The bleached fiber surface is found to become more hydrophilic due to the loss of the naturally occurring hydrocarbon overlayer and oxidation of surface functional groups as a result of bleaching. Comparison between generic bleaching regimens illustrates the importance of increased pH and the presence of surfactant for effective treatment. Adsorption of conditioning diester quat and dimethicone molecules reintroduces a hydrophobic like surface layer on the hair fiber. Spectroscopic data indicated a segregated adsorption structure of the chemically different conditioning molecules. Electron microscope images of the conditioned hair shows a smooth uniform surface.

  20. Visibility spectroscopy with electron waves using a Wien filter: higher order corrections

    Science.gov (United States)

    Sonnentag; Kiesel; Hasselbach

    2000-08-01

    Fourier spectroscopy, one of the most precise spectrometry methods in light optics, has been realized in the past years with electron waves by including a crossed-field analyzer (Wien filter) as a wave packet shifting device into a biprism interferometer. To fully exploit the high precision of this method of determining the energy spectrum, higher order corrections stemming from the Wien filter's focusing action are necessary in the evaluation of the measurement. We show that these can be taken into account by using a transformation variable being proportional to the quotient of electric field strength of the Wien capacitor over fringe spacing. Finally, we make some remarks about the possibility of interference of inelastically scattered electrons.

  1. Fast and accurate conversion of atomic models into electron density maps

    Directory of Open Access Journals (Sweden)

    Carlos O.S. Sorzano

    2015-03-01

    Full Text Available New image processing methodologies and algorithms have greatly contributed to the signi cant progress in three-dimensional electron microscopy (3DEM of biological complexes we have seen over the last decades. Naturally, the availability of accurate procedures for the objective testing of new algorithms is a crucial requirement for the further advancement of the eld. A good and accepted testing work ow involves the generation of realistic 3DEM-like maps of biological macromolecules from which some measure of ground truth can be derived, ideally because their 3D atomic structure is already known. In this work we propose a very accurate generation of maps using atomic form factors for electron scattering. We thoroughly review current approaches in the eld, quantitatively demonstrating the bene ts of the new methodology. Additionally, we study a concrete example of the use of this approach for hypothesis testing in 3D Electron Microscopy.

  2. Characterization of interfacially electronic structures of gold-magnetite heterostructures using X-ray absorption spectroscopy.

    Science.gov (United States)

    Lin, Fang-hsin; Doong, Ruey-an

    2014-03-01

    Gold-magnetite heterostructures are novel nanomaterials which can rapidly catalyze the reduction reaction of nitroaromatics. In this study, the interfacially structural and electronic properties of various morphologies of Au-Fe3O4 heterostructures were systematically investigated using X-ray absorbance spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS). The effect of change in electronic structure and charge transfer on electrochemically catalytic activity of Au-Fe3O4 heterostructures was further evaluated by oxygen reduction reaction (ORR). The shifts in binding energy of Au4f and Fe2p peaks in XPS spectra indicate the charge transfer between the Au and Fe3O4 nanoparticles. The increase in d-hole population of Au seeds after the conjugation with iron oxides follows the order flower-like Au-Fe3O4 (FLNPs)>dumbbell-like Au-Fe3O4 (DBNPs)>Au seeds. In addition, the Fe(2+) valence state increases in Au-Fe3O4 heterostructures, which provides evidence to support the hypothesis of charge transfer between Au and Fe3O4 nanoparticles. The theoretical simulation of Au L3-edge XAS further confirms the production of Au-Fe and Au-O bonds at the interface of Au/Fe3O4 and the epitaxial linkage relationship between Au and Fe3O4 nanoparticles. In addition, the electron deficient of Au seeds increases upon increasing Fe3O4 nanoparticles on a single Au seed, and subsequently decreases the catalytic activity of Au in the Au-Fe3O4 heterostructures. The catalytic activity of Au-Fe3O4 toward ORR follows the order Au seeds>Au-Fe3O4 DBNPs>Au-Fe3O4 FLNPs, which is positively correlated to the extent of electronic deficiency of Au in Au-Fe3O4 heterostructures.

  3. High-resolution monochromated electron energy-loss spectroscopy of organic photovoltaic materials.

    Science.gov (United States)

    Alexander, Jessica A; Scheltens, Frank J; Drummy, Lawrence F; Durstock, Michael F; Hage, Fredrik S; Ramasse, Quentin M; McComb, David W

    2017-09-01

    Advances in electron monochromator technology are providing opportunities for high energy resolution (10 - 200meV) electron energy-loss spectroscopy (EELS) to be performed in the scanning transmission electron microscope (STEM). The energy-loss near-edge structure in core-loss spectroscopy is often limited by core-hole lifetimes rather than the energy spread of the incident illumination. However, in the valence-loss region, the reduced width of the zero loss peak makes it possible to resolve clearly and unambiguously spectral features at very low energy-losses (photovoltaics (OPVs): poly(3-hexlythiophene) (P3HT), [6,6] phenyl-C61 butyric acid methyl ester (PCBM), copper phthalocyanine (CuPc), and fullerene (C60). Data was collected on two different monochromated instruments - a Nion UltraSTEM 100 MC 'HERMES' and a FEI Titan(3) 60-300 Image-Corrected S/TEM - using energy resolutions (as defined by the zero loss peak full-width at half-maximum) of 35meV and 175meV, respectively. The data was acquired to allow deconvolution of plural scattering, and Kramers-Kronig analysis was utilized to extract the complex dielectric functions. The real and imaginary parts of the complex dielectric functions obtained from the two instruments were compared to evaluate if the enhanced resolution in the Nion provides new opto-electronic information for these organic materials. The differences between the spectra are discussed, and the implications for STEM-EELS studies of advanced materials are considered. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Thermionic and Photo-excited Electron Emission for Energy Conversion Processes

    Directory of Open Access Journals (Sweden)

    Patrick T. McCarthy

    2014-12-01

    Full Text Available This article describes advances in thermionic and photoemission materials and applications dating back to the work on thermionic emission by Guthrie in 1873 and the photoelectric effect by Hertz in 1887. Thermionic emission has been employed for electron beam generation from Edison’s work with the light bulb to modern day technologies such as scanning and transmission electron microscopy. The photoelectric effect has been utilized in common devices such as cameras and photocopiers while photovoltaic cells continue to be widely successful and further researched. Limitations in device efficiency and materials have thus far restricted large-scale energy generation sources based on thermionic and photoemission. However, recent advances in the fabrication of nanoscale emitters suggest promising routes for improving both thermionic and photo-enhanced electron emission along with newly developed research concepts, e.g., photonically enhanced thermionic emission. However, the abundance of new emitter materials and reduced dimensions of some nanoscale emitters increases the complexity of electron emission theory and engender new questions related to the dimensionality of the emitter. This work presents derivations of basic two and three-dimensional thermionic and photoemission theory along with comparisons to experimentally acquired data. The resulting theory can be applied to many different material types regardless of composition, bulk and surface structure.

  5. The Content of Beginning Special Educators' Conversations with Their Electronic Mentors

    Science.gov (United States)

    Gentry, Roberta

    2016-01-01

    This exploratory study examined the frequency and content of text-based interactions between special education mentors (n = 22) and mentees (n = 50) within the Electronic Mentoring for Student Success Program (eMSS). Perceived outcomes of participants, based on an open ended survey question, were also analyzed. The Interstate Teacher Assessment…

  6. Electronic relaxation dynamics of PCDA-PDA studied by transient absorption spectroscopy.

    Science.gov (United States)

    Joung, Joonyoung F; Baek, Junwoo; Kim, Youngseo; Lee, Songyi; Kim, Myung Hwa; Yoon, Juyoung; Park, Sungnam

    2016-08-17

    Photo-curable polymers originating from 10,12-pentacosadiynoic acid (PCDA-PDA) are commonly used polydiacetylenes (PDAs). PCDA-PDA exhibits thermochromic properties undergoing a unique colorimetric transition from blue to red as the temperature is increased from low to high. In this work, we have carefully studied the temperature-dependent optical properties of PCDA-PDA by using UV-visible absorption, FTIR, Raman, and transient absorption (TA) spectroscopy in combination with quantum chemical calculations. Temperature-dependent UV-visible absorption spectra indicate that PCDA-PDA exhibits reversible thermochromic properties up to 60 °C and its thermochromic properties become irreversible above 60 °C. Such distinct thermochromic properties are also manifested in TA signals so that the electronically excited PCDA-PDA relaxes to the ground state via an intermediate state at 20 °C (blue form) but it relaxes directly back to the ground state at 80 °C (red form). The electronic relaxation dynamics of PCDA-PDA are comprehensively analyzed based on different kinetic models by using the global fitting analysis method. The intermediate state in the blue form of PCDA-PDA is clearly found to be responsible for fluorescence quenching. FTIR and Raman spectroscopy and quantum chemical calculations confirm that the H-bonds between the carboxylic acid groups in PCDA-PDA are broken at high temperatures leading to an irreversible structural change of PCDA-PDA.

  7. Studies of thin films and surfaces with optical harmonic generation and electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wilk, Dieter Emre [Univ. of California, Berkeley, CA (United States)

    1996-01-01

    Optical second harmonic generation (SHG) and sum frequency generation (SFG) were used to study C60 thin solid films (low energy ED forbidden electronic excitations), and electron spectroscopy was used to study organic overlayers (xylenes) on Pt(111). Theory of SHG from a thin film is described in terms of surface and bulk contributions as well as local and nonlocal contributions to the optical nonlinearities. (1)In situ SHG data on C60 films during UHV film growth can be described in terms of only nonlocal contributions to both surface and bulk nonlinear susceptibilities. Microscopic origin of SHG response is discussed in terms of electric quadrupole and ED transitions of C60. (2)Adsorption and thermal decomposition of ortho- and para-xylene on Pt(111) is studied using HREELS, LEED, AES, and thermal desorption spectroscopy. We have observed preferential decomposition of the methyl groups which leads to distinct decomposition pathways for ortho- and para-xylene on Pt(111).

  8. Energy resolved electrochemical impedance spectroscopy for electronic structure mapping in organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Nádaždy, V., E-mail: nadazdy@savba.sk; Gmucová, K. [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Schauer, F. [Faculty of Education, Trnava University in Trnava, 918 43 Trnava (Slovakia); Faculty of Applied Informatics, Tomas Bata University in Zlin, 760 05 Zlin (Czech Republic)

    2014-10-06

    We introduce an energy resolved electrochemical impedance spectroscopy method to map the electronic density of states (DOS) in organic semiconductor materials. The method consists in measurement of the charge transfer resistance of a semiconductor/electrolyte interface at a frequency where the redox reactions determine the real component of the impedance. The charge transfer resistance value provides direct information about the electronic DOS at the energy given by the electrochemical potential of the electrolyte, which can be adjusted using an external voltage. A simple theory for experimental data evaluation is proposed, along with an explanation of the corresponding experimental conditions. The method allows mapping over unprecedentedly wide energy and DOS ranges. Also, important DOS parameters can be determined directly from the raw experimental data without the lengthy analysis required in other techniques. The potential of the proposed method is illustrated by tracing weak bond defect states induced by ultraviolet treatment above the highest occupied molecular orbital in a prototypical σ-conjugated polymer, poly[methyl(phenyl)silylene]. The results agree well with those of our previous DOS reconstruction by post-transient space-charge-limited-current spectroscopy, which was, however, limited to a narrow energy range. In addition, good agreement of the DOS values measured on two common π-conjugated organic polymer semiconductors, polyphenylene vinylene and poly(3-hexylthiophene), with the rather rare previously published data demonstrate the accuracy of the proposed method.

  9. Energy resolved electrochemical impedance spectroscopy for electronic structure mapping in organic semiconductors

    Science.gov (United States)

    Nádaždy, V.; Schauer, F.; Gmucová, K.

    2014-10-01

    We introduce an energy resolved electrochemical impedance spectroscopy method to map the electronic density of states (DOS) in organic semiconductor materials. The method consists in measurement of the charge transfer resistance of a semiconductor/electrolyte interface at a frequency where the redox reactions determine the real component of the impedance. The charge transfer resistance value provides direct information about the electronic DOS at the energy given by the electrochemical potential of the electrolyte, which can be adjusted using an external voltage. A simple theory for experimental data evaluation is proposed, along with an explanation of the corresponding experimental conditions. The method allows mapping over unprecedentedly wide energy and DOS ranges. Also, important DOS parameters can be determined directly from the raw experimental data without the lengthy analysis required in other techniques. The potential of the proposed method is illustrated by tracing weak bond defect states induced by ultraviolet treatment above the highest occupied molecular orbital in a prototypical σ-conjugated polymer, poly[methyl(phenyl)silylene]. The results agree well with those of our previous DOS reconstruction by post-transient space-charge-limited-current spectroscopy, which was, however, limited to a narrow energy range. In addition, good agreement of the DOS values measured on two common π-conjugated organic polymer semiconductors, polyphenylene vinylene and poly(3-hexylthiophene), with the rather rare previously published data demonstrate the accuracy of the proposed method.

  10. Conformational changes of the histidine ATP-binding cassette transporter studied by double electron-electron resonance spectroscopy.

    Science.gov (United States)

    Sippach, Michael; Weidlich, Daniela; Klose, Daniel; Abé, Christoph; Klare, Johann; Schneider, Erwin; Steinhoff, Heinz-Jürgen

    2014-07-01

    The conformational dynamics of the histidine ABC transporter HisQMP2 from Salmonella enterica serovar Typhimurium, reconstituted into liposomes, is studied by site-directed spin labeling and double electron-electron resonance spectroscopy in the absence of nucleotides, in the ATP-bound, and in the post-hydrolysis state. The results show that the inter-dimer distances as measured between the Q-loops of HisP2 in the intact transporter resemble those determined for the maltose transporter in all three states of the hydrolysis cycle. Only in the presence of liganded HisJ the closed conformation of the nucleotide binding sites is achieved revealing the transmembrane communication of the presence of substrate. Two conformational states can be distinguished for the periplasmic moiety of HisQMP2 as detected by differences in distributions of interspin distances between positions 86 and 96 or 104 and 197. The observed conformational changes are correlated to proposed open, semi-open and closed conformations of the nucleotide binding domains HisP2. Our results are in line with a rearrangement of transmembrane helices 4 and 4' of HisQM during the closed to the semi-open transition of HisP2 driven by the reorientation of the coupled helices 3a and 3b to occur upon hydrolysis. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sidabras, Jason W.; Varanasi, Shiv K.; Hyde, James S. [Department of Biophysics, Medical College of Wisconsin, Milwaukee, Wisconsin 53211 (United States); Mett, Richard R. [Department of Biophysics, Medical College of Wisconsin, Milwaukee, Wisconsin 53211 (United States); Department of Physics and Chemistry, Milwaukee School of Engineering, Milwaukee, Wisconsin 53202 (United States); Swarts, Steven G. [Department of Radiation Oncology, University of Florida, Gainesville, Florida, 32610 (United States); Swartz, Harold M. [Department of Radiology, Geisel Medical School at Dartmouth, Hanover, New Hampshire 03755 (United States)

    2014-10-15

    A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg{sup 2+} doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

  12. A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces

    Science.gov (United States)

    Sidabras, Jason W.; Varanasi, Shiv K.; Mett, Richard R.; Swarts, Steven G.; Swartz, Harold M.; Hyde, James S.

    2014-10-01

    A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg2+ doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

  13. A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces.

    Science.gov (United States)

    Sidabras, Jason W; Varanasi, Shiv K; Mett, Richard R; Swarts, Steven G; Swartz, Harold M; Hyde, James S

    2014-10-01

    A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg(2+) doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

  14. Electron transport properties of bis[2-(2-hydroxyphenyl)-pyridine]beryllium investigated by impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yanping; Chen, Jiangshan; Huang, Jinying; Ma, Dongge, E-mail: mdg1014@ciac.jl.cn, E-mail: dongls@ciac.jl.cn [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Changchun 130022 (China); Dong, Lisong, E-mail: mdg1014@ciac.jl.cn, E-mail: dongls@ciac.jl.cn [Key Laboratory of Polymer Ecomaterials, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Changchun 130022 (China); Chen, Hui [Department of Science, Shenyang University of Chemical Technology, Shenyang 110142 (China)

    2014-06-14

    The electron transport properties of bis[2-(2-hydroxyphenyl)-pyridine] beryllium (Bepp{sub 2}) are investigated by impedance spectroscopy over a frequency range of 10 Hz to 13 MHz. The Cole-Cole plots demonstrate that the Bepp{sub 2}-based device can be represented by a single parallel resistance R{sub p} and capacitance C{sub p} network with a series resistance R{sub s}. The current-voltage characteristics and the variation of R{sub p} with applied bias voltage indicate the electron conduction of space-charge-limited current with exponential trap distributions in Bepp{sub 2}. It can be seen that the electron mobility exhibits strong field-dependence in low electric field region and almost saturate in high electric field region. It is experimentally found that Bepp{sub 2} shows dispersion transport and becomes weak as the electric field increases. The activation energy is determined to be 0.043 eV by temperature-dependent conductivity, which is consistent with the result obtained from the temperature-dependent current density characteristics. The electron mobility reaches the orders of 10{sup −6}–10{sup −5} cm{sup 2} V{sup −1} s{sup −1}, depending on the electric field.

  15. High resolution electron energy loss spectroscopy with two-dimensional energy and momentum mapping

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xuetao; Cao, Yanwei; Zhang, Shuyuan; Jia, Xun; Guo, Qinlin; Yang, Fang [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Zhu, Linfan [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zhang, Jiandi; Plummer, E. W. [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70808 (United States); Guo, Jiandong, E-mail: jdguo@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100871 (China)

    2015-08-15

    High resolution electron energy loss spectroscopy (HREELS) is a powerful technique to probe vibrational and electronic excitations at surfaces. The dispersion relation of surface excitations, i.e., energy as a function of momentum, has in the past, been obtained by measuring the energy loss at a fixed angle (momentum) and then rotating sample, monochromator, or analyzer. Here, we introduce a new strategy for HREELS, utilizing a specially designed lens system with a double-cylindrical Ibach-type monochromator combined with a commercial VG Scienta hemispherical electron energy analyzer, which can simultaneously measure the energy and momentum of the scattered electrons. The new system possesses high angular resolution (<0.1°), detecting efficiency and sampling density. The capabilities of this system are demonstrated using Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+δ}. The time required to obtain a complete dispersion spectrum is at least one order of magnitude shorter than conventional spectrometers, with improved momentum resolution and no loss in energy resolution.

  16. CESR Conversion Damping Ring Studies of Electron Cloud Instabilities (CESR-TA)

    Energy Technology Data Exchange (ETDEWEB)

    Rubin, David L.; Palmer, Mark A.

    2011-08-02

    In the International Linear Collider, two linear accelerators will accelerate bunches of positrons and electrons to over a hundred billion electron volts and collide them in a central detector. In order to obtain useful collision rates, the bunches, each containing twenty billion particles, must be compressed to a cross section of a few nanometers by a few hundred nanometers. In order to prepare these ultra high density bunches, damping rings (DRs) are employed before the linear accelerators. The DRs take the high emittance bunches that are provided by the electron and positron sources and, through the process of radiation damping, squeeze them into ultra low emittance beams that are ready for the main linear accelerators. In the damping rings, a number of effects can prevent the successful preparation of the beams. In the electron ring, an effect known as the fast ion instability can lead to beam growth and, in the positron ring, the build-up of an electron cloud (EC), which interacts with the circulating bunches, can produce the same effect. EC build-up and the subsequent interaction of the cloud with the positron beam in the DR have been identified as major risks for the successful construction of a linear collider. The CESRTA research program at the Cornell Electron Storage Ring (CESR) was developed in order to study the build-up of the EC, the details of its impact on ultra low emittance beams, as well as methods to mitigate the impact of the cloud. In the DR, the EC forms when synchrotron photons radiated from the circulating beam strike the walls of the vacuum chamber, resulting in the emission of photoelectrons. These low energy electrons can be accelerated across the vacuum chamber by the electric field of the beam, and strike the walls, causing the emission of secondary electrons. The secondary electrons are subsequently accelerated into the walls yet again via the same mechanism. The result is that the EC can rapidly begin to fill the vacuum chamber. In

  17. Light-Induced Conversion of Chemical Permeability to Enhance Electron and Molecular Transfer in Nanoscale Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Balgley, Renata; de Ruiter, Graham; Evmenenko, Guennadi; Bendikov, Tatyana; Lahav, Michal; van der Boom, Milko E.

    2016-12-21

    In this paper, we demonstrate how photochemically enhancing the permeability of metal–organic assemblies results in a significant enhancement of the electrochemical activity of metal complexes located within the assembly. The molecular assemblies consist of different layers of redox-active metal complexes ([M(mbpy-py)3][PF6]2; M = Ru or Os) that are separated by redox-inactive spacers consisting of 1,4-bis[2-(4-pyridyl)ethenyl]benzene (BPEB) and PdCl2 of variable thicknesses (0–13.4 nm). UV-irradiation (λ = 254 nm) of our assemblies induces a photochemical reaction in the redox-inactive spacer increasing the permeability of the assembly. The observed increase was evident by trapping organic (nBu4NBF4) and inorganic (NiCl2) salts inside the assemblies, and by evaluating the electrochemical response of quinones absorbed inside the molecular assemblies before and after UV irradiation. The increase in permeability is reflected by higher currents and a change in the directionality of electron transfer, i.e., from mono- to bidirectional, between the redox-active metal complexes and the electrode surface. The supramolecular structure of the assemblies dominates the overall electron transfer properties and overrules possible electron transfer mediated by the extensive π-conjugation of its individual organic components.

  18. A 5-bit time to digital converter using time to voltage conversion and integrating techniques for agricultural products analysis by Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Mahdi Rezvanyvardom

    2014-12-01

    Full Text Available Time to digital converter (TDC is a key block for time-gated single photon avalanche diode (SPAD arrays for Raman spectroscopy that applicable in the agricultural products and food analysis. In this paper a new dual slope time to digital converter that employs the time to voltage conversion and integrating techniques for digitizing the time interval input signals is presented. The reference clock frequency of the TDC is 100 MHz and the input range is theoretically unlimited. The proposed converter features high accuracy, very small average error and high linear range. Also this converter has some advantages such as low circuit complexity, low power consumption and low sensitive to the temperature, power supply and process changes (PVT compared with the time to digital converters that used preceding conversion techniques. The proposed converter uses an indirect time to digital conversion method. Therefore, our converter has the appropriate linearity without extra elements. In order to evaluate the proposed idea, an integrating time to digital converter is designed in 0.18 μm CMOS technology and was simulated by Hspice. Comparison of the theoretical and simulation results confirms the proposed TDC operation; therefore, the proposed converter is very convenient for applications which have average speed and low variations in the signal amplitude such as biomedical signals.

  19. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2015-09-28

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

  20. Characterization of biofumigated Ralstonia solanacearum cells using micro-Raman spectroscopy and electron microscopy.

    Science.gov (United States)

    Paret, Mathews L; Sharma, Shiv K; Alvarez, Anne M

    2012-01-01

    Essential oils of palmarosa, lemongrass, and eucalyptus have shown promise as biofumigants for control of the bacterial wilt disease of edible ginger (Zingiber officinale) caused by Ralstonia solanacearum race 4 in previous potting medium studies. Biochemical changes in R. solanacearum cells were evaluated with micro-Raman spectroscopy following treatment with essential oils at different concentrations (0.04, 0.07, and 0.14% [vol/vol] of culture medium) and changes in cell structure were observed using electron microscopy. All treatments except palmarosa oil at 0.04% caused significant reductions in levels of amino acids, purine and pyrimidine bases of nucleic acids, carbohydrates, and lipids, as indicated by significant reduction in Raman peak heights at 621, 1,003, and 1,031 inverse centimeters (cm(-1)) (phenylalanine); 643, 827, 852, 1,158, and 1,172 cm(-1) (tyrosine); 758 cm(-1) (tryptophan); 725, 782, 1,337, and 1,578 cm(-1) (adenine, cytosine plus uracil, adenine, and adenine plus guanine, respectively); 1,097 cm(-1) (carbohydrates); and 1,127, 1,450, and 2,932 cm(-1) (lipids) compared with untreated controls. Lemongrass oil treatments were the most effective in degrading cellular components. Scanning electron microscopy of palmarosa and lemongrass-oil-treated cells showed rupture of cell walls and cell debris but no degradation was noted for eucalyptus-oil-treated cells. Palmarosa- and lemongrass-oil-treated cells were positively stained with uranyl acetate when viewed by transmission electron microscopy whereas controls and eucalyptus-oil-treated cells were negatively stained, indicating that the cell membranes were intact. The viability of eucalyptus-oil-treated cells was confirmed by cell culture following treatment. Micro-Raman spectroscopy is a powerful tool which can be further employed to better understand effects of fumigants and other bactericides on bacterial cells.

  1. Electronic structure and thermal decomposition of 5-aminotetrazole studied by UV photoelectron spectroscopy and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Rui M., E-mail: ruipinto@fct.unl.pt [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Dias, Antonio A.; Costa, Maria L. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2011-03-18

    Graphical abstract: Gas-phase UV photoelectron spectrum of the thermal decomposition of 5-aminotetrazole (5ATZ), obtained at 245 {sup o}C, and mechanism underlying the thermal dissociation of 2H-5ATZ. Research highlights: {yields} Electronic structure of 5ATZ studied by photoelectron spectroscopy. {yields} Gas-phase 5-ATZ exists mainly as the 2H-tautomer. {yields} Thermal decomposition of 5ATZ gives N{sub 2}, NH{sub 2}CN, HN{sub 3} and HCN, at 245 {sup o}C. {yields} HCN can be originated from a carbene intermediate. - Abstract: The electronic properties and thermal decomposition of 5-aminotetrazole (5ATZ) are investigated using UV photoelectron spectroscopy (UVPES) and theoretical calculations. Simulated spectra of both 1H- and 2H-5ATZ, based on electron propagator methods, are produced in order to study the relative gas-phase tautomer population. The thermal decomposition results are rationalized in terms of intrinsic reaction coordinate (IRC) calculations. 5ATZ yields a HOMO ionization energy of 9.44 {+-} 0.04 eV and the gas-phase 5ATZ assumes mainly the 2H-form. The thermal decomposition of 5ATZ leads to the formation of N{sub 2}, HN{sub 3} and NH{sub 2}CN as the primary products, and HCN from the decomposition of a intermediate CH{sub 3}N{sub 3} compound. The reaction barriers for the formation of HN{sub 3} and N{sub 2} from 2H-5ATZ are predicted to be {approx}228 and {approx}150 kJ/mol, at the G2(MP2) level, respectively. The formation of HCN and HNNH from the thermal decomposition of a CH{sub 3}N{sub 3} carbene intermediate is also investigated.

  2. A hot-electron thermophotonic solar cell demonstrated by thermal up-conversion of sub-bandgap photons.

    Science.gov (United States)

    Farrell, Daniel J; Sodabanlu, Hassanet; Wang, Yunpeng; Sugiyama, Masakazu; Okada, Yoshitaka

    2015-11-06

    The direct conversion of solar energy to electricity can be broadly separated into two main categories: photovoltaics and thermal photovoltaics, where the former utilizes gradients in electrical potential and the latter thermal gradients. Conventional thermal photovoltaics has a high theoretical efficiency limit (84%) but in practice cannot be easily miniaturized and is limited by the engineering challenges of sustaining large (>1,000 K) temperature gradients. Here we show a hot-carrier-based thermophotonic solar cell, which combines the compact nature of photovoltaic devices with the potential to reach the high-efficiency regime of thermal photovoltaics. In the device, a thermal gradient of 500 K is established by hot electrons, under Stokes illumination, rather than by raising the temperature of the material itself. Under anti-Stokes (sub-bandgap) illumination we observe a thermal gradient of ∼20 K, which is maintained by steady-state Auger heating of carriers and corresponds to a internal thermal up-conversion efficiency of 30% between the collector and solar cell.

  3. Enhancement of Electron Transfer in Various Photo-Assisted Oxidation Processes for Nitro-Phenolic Compound Conversion

    Science.gov (United States)

    Khue, Do Ngoc; Lam, Tran Dai; Minh, Do Binh; Loi, Vu Duc; Nam, Nguyen Hoai; Bach, Vu Quang; Van Anh, Nguyen; Van Hoang, Nguyen; Hu'ng, Dao Duy

    2016-08-01

    The present study focuses on photo-assisted advanced oxidation processes (AOPs) with strongly enhanced electron transfer for degradation of nitro-phenolic compounds in aqueous medium. The effectiveness of these processes was estimated based on the pseudo-first order rate constant k determined from high-performance liquid chromatography. The degradation of four different nitro-phenolic compounds was systematically studied using selected AOPs; these four compounds were nitrophenol, dinitrophenol, trinitrophenol and trinitroresorcin. It was observed that the combination of ultraviolet light with hydrogen peroxide H2O2 enhanced and maintained hydroxyl radicals, and therefore increased the conversion yield of organic pollutants. These AOPs provided efficient and green removal of stable organic toxins found in a wide range of industrial wastewater.

  4. A direct current rectification scheme for microwave space power conversion using traveling wave electron acceleration

    Science.gov (United States)

    Manning, Robert M.

    1993-01-01

    The formation of the Vision-21 conference held three years ago allowed the present author to reflect and speculate on the problem of converting electromagnetic energy to a direct current by essentially reversing the process used in traveling wave tubes that converts energy in the form of a direct current to electromagnetic energy. The idea was to use the electric field of the electromagnetic wave to produce electrons through the field emission process and accelerate these electrons by the same field to produce an electric current across a large potential difference. The acceleration process was that of cyclotron auto-resonance. Since that time, this rather speculative ideas has been developed into a method that shows great promise and for which a patent is pending and a prototype design will be demonstrated in a potential laser power beaming application. From the point of view of the author, a forum such as Vision-21 is becoming an essential component in the rather conservative climate in which our initiatives for space exploration are presently formed. Exchanges such as Vision-21 not only allows us to deviate from the 'by-the-book' approach and rediscover the ability and power in imagination, but provides for the discussion of ideas hitherto considered 'crazy' so that they may be given the change to transcend from the level of eccentricity to applicability.

  5. Development of an Accommodation-Dependent Eye Model and Studying the Effects of Accommodation on Electron and Proton Dose Conversion Coefficients

    Directory of Open Access Journals (Sweden)

    Alireza Vejdani-Noghreiyan

    2016-06-01

    Full Text Available Introduction International Commission on Radiological Protection (ICRP has provided a comprehensive discussion on threshold dose for radiation-induced cataract in ICRP publication 116. Accordingly, various parts of the eye lens have different radio-sensitivities. Recently, some studies have been performed to develop a realistic eye model with the aim of providing accurate estimation of fluence-to-dose conversion coefficients for different parts of the eye. However, the effect of accommodation, which changes the lens shape and pupil size, on dose conversion coefficients has not been considered yet. In this study, we purport to develop an accommodation-dependent eye model and to study the effects of accommodation on the electron and proton fluence-to-dose conversion coefficients. Materials and Methods Herein, a modified eye model was developed by considering the effects of accommodation on the lens shape and pupil size. In addition, MCNPX 2.6 Monte Carlo transport code was used to calculate the effects of  eye lens accommodation on electron and proton fluence-to-dose conversion coefficients. Results Calculation of dose conversion coefficients demonstrated that the accommodation causes up to 40% discrepancy for fluence-to-dose conversion coefficients of electrons in the range of 600 to 800 keV, which is due to the change of eye lens shape during the accommodation of the eye. Conclusion Since the accommodation of the eye change the lens shape and pupil size, it has considerable effect on fluence-to-dose conversion coefficients of electrons at some ranges of incident particle energies that should be considered in simulation. However, the fluctuation of dose conversion coefficients of protons is negligible.

  6. {ital s} -{ital p} Hybridization and Electron Shell Structures in Aluminum Clusters: A Photoelectron Spectroscopy Study

    Energy Technology Data Exchange (ETDEWEB)

    Li, X.; Wu, H.; Wang, X.; Wang, L. [Department of Physics, Washington State University, 2710 University Drive, Richland, Washington 99352-1671 (United States)]|[W. R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, Washington 99352 (United States)

    1998-08-01

    Using photoelectron spectroscopy of size-selected Al{sub x}{sup {minus}} (x=1{endash}162) clusters, we studied the electronic structure evolution of Al{sub x} and observed that the Al 3s - and 3p -derived bands evolve and broaden with cluster size and begin to overlap at Al{sub 9} . Direct spectroscopic signatures were obtained for electron shell structures with spherical shell closings at Al{sub 11}{sup {minus}} , Al{sub 13}{sup {minus}} , Al{sub 19}{sup {minus}} , Al{sub 23}{sup {minus}} , Al{sub 35}{sup {minus}} , Al{sub 37}{sup {minus}} , Al{sub 46} , Al{sub 52} , Al{sub 55}{sup {minus}} , Al{sub 56} , Al{sub 66} , and Al{sub 73}{sup {minus}} . The electron shell effect diminishes above Al{sub 75} and new spectral features appearing in Al{sub x}{sup {minus}} (x{gt}100) suggest a possible geometrical packing effect in large clusters. {copyright} {ital 1998} {ital The American Physical Society}

  7. Positron Annihilation Induced Auger Electron Spectroscopy of Inner Shell Transitions Using Time-Of Technique

    Science.gov (United States)

    Xie, Shuping; Jiang, Neng; Weiss, A. H.

    2003-03-01

    Positron annihilation induced Auger electron spectroscopy (PAES) has been shown to have unique advantages over conventional electron collision induced Auger techniques, including the ability to eliminate the secondary electron background and selectively probe the top-most atomic layer on the sample surface. Here we report on the development of a new time-of-flight (TOF) spectrometer which combines features high efficiency magnetic transport and parrallel energy measurment with high resolution by using an innovative timing method. The new TOF-PAES system, was used to make the first quantitative comparative measurements of the Auger intensities associated with the annihilation of positrons with the deep core levels (1s) of S KLL (180eV), C KLL (270eV), N KLL (360eV), and O KLL (510eV). Experimental results of Auger probabilities at outer core level (3s, 3P) of Cu M2,3VV (60eV), M1VV (105eV) are compared with the theoretical value of Jensen and Weiss. Quantitatively study the surface adsorbate process on Cu is performed and concentration changes of surface components are obtained. These results demonstrate that TOF-PAES can be used to obtain quantitative,top-layer specific, information from chemically important elements including those with relatively deep core levels (e.g. C and O).

  8. The amorphous Zn biomineralization at Naracauli stream, Sardinia: electron microscopy and X-ray absorption spectroscopy.

    Science.gov (United States)

    Medas, D; Lattanzi, P; Podda, F; Meneghini, C; Trapananti, A; Sprocati, A; Casu, M A; Musu, E; De Giudici, G

    2014-01-01

    An amorphous Zn biomineralization ("white mud"), occurring at Naracauli stream, Sardinia, in association with cyanobacteria Leptolyngbya frigida and diatoms, was investigated by electron microscopy and X-ray absorption spectroscopy. Preliminary diffraction analysis shows that the precipitate sampled on Naracauli stream bed is mainly amorphous, with some peaks ascribable to quartz and phyllosilicates, plus few minor unattributed peaks. Scanning electron microscopy analysis shows that the white mud, precipitated in association with a seasonal biofilm, is made of sheaths rich in Zn, Si, and O, plus filaments likely made of organic matter. Transmission electron microscopy analysis shows that the sheaths are made of smaller units having a size in the range between 100 and 200 nm. X-ray absorption near-edge structure and extended X-ray absorption fine structure data collected at the Zn K-edge indicate that the biomineral has a local structure similar to hemimorphite, a zinc sorosilicate. The differences of this biomineral with respect to the hydrozincite biomineralization documented about 3 km upstream in the same Naracauli stream may be related to either variations in the physicochemical parameters and/or different metabolic behavior of the involved biota.

  9. Toward 10 meV electron energy-loss spectroscopy resolution for plasmonics.

    Science.gov (United States)

    Bellido, Edson P; Rossouw, David; Botton, Gianluigi A

    2014-06-01

    Energy resolution is one of the most important parameters in electron energy-loss spectroscopy. This is especially true for measurement of surface plasmon resonances, where high-energy resolution is crucial for resolving individual resonance peaks, in particular close to the zero-loss peak. In this work, we improve the energy resolution of electron energy-loss spectra of surface plasmon resonances, acquired with a monochromated beam in a scanning transmission electron microscope, by the use of the Richardson-Lucy deconvolution algorithm. We test the performance of the algorithm in a simulated spectrum and then apply it to experimental energy-loss spectra of a lithographically patterned silver nanorod. By reduction of the point spread function of the spectrum, we are able to identify low-energy surface plasmon peaks in spectra, more localized features, and higher contrast in surface plasmon energy-filtered maps. Thanks to the combination of a monochromated beam and the Richardson-Lucy algorithm, we improve the effective resolution down to 30 meV, and evidence of success up to 10 meV resolution for losses below 1 eV. We also propose, implement, and test two methods to limit the number of iterations in the algorithm. The first method is based on noise measurement and analysis, while in the second we monitor the change of slope in the deconvolved spectrum.

  10. Transmission electron microscopy and time resolved optical spectroscopy study of the electronic and structural interactions of ZnO nanorods with bovine serum albumin.

    Science.gov (United States)

    Klaumünzer, M; Weichsel, U; Mačković, M; Spiecker, E; Peukert, W; Kryschi, C

    2013-08-22

    The adsorption behavior and electronic interactions of bovine serum albumin (BSA) with ZnO nanorod surfaces were investigated using high-resolution transmission electron microscopy as well as stationary and time-resolved optical spectroscopy techniques. Transmission electron microscopy shows that ZnO nanorod surfaces are surrounded by a homogeneous amorphous BSA film with thicknesses between ~2.5 and 5.0 nm. The electronic structure and adsorption geometry of BSA were examined using high-angle annular dark field scanning transmission electron microscopy combined with electron energy loss spectroscopy. The adsorption process was observed to result into an unfolded conformation of BSA becoming predominantly bound in the side-on orientation at the ZnO surface. This adsorption mode of the BSA molecules allows for a strong interaction with surface states of the ZnO nanorods. This is obvious from its efficient quenching of the defect-center photoluminescence of ZnO. Complementary information of electronic interactions across the ZnO nanorod interface was obtained from femtosecond transient absorption spectroscopy experiments. The rise dynamics of the measured transients revealed altered hole trapping dynamics and, thus, indicated to heterogeneous charge transfer as emerging from adsorbed BSA molecules to defect centers of the ZnO interface.

  11. Electronic structure differences between H(2)-, Fe-, Co-, and Cu-phthalocyanine highly oriented thin films observed using NEXAFS spectroscopy.

    Science.gov (United States)

    Willey, T M; Bagge-Hansen, M; Lee, J R I; Call, R; Landt, L; van Buuren, T; Colesniuc, C; Monton, C; Valmianski, I; Schuller, Ivan K

    2013-07-21

    Phthalocyanines, a class of macrocyclic, square planar molecules, are extensively studied as semiconductor materials for chemical sensors, dye-sensitized solar cells, and other applications. In this study, we use angular dependent near-edge x-ray absorption fine structure (NEXAFS) spectroscopy as a quantitative probe of the orientation and electronic structure of H2-, Fe-, Co-, and Cu-phthalocyanine molecular thin films. NEXAFS measurements at both the carbon and nitrogen K-edges reveal that phthalocyanine films deposited on sapphire have upright molecular orientations, while films up to 50 nm thick deposited on gold substrates contain prostrate molecules. Although great similarity is observed in the carbon and nitrogen K-edge NEXAFS spectra recorded for the films composed of prostrate molecules, the H2-phthalocyanine exhibits the cleanest angular dependence due to its purely out-of-plane π* resonances at the absorption onset. In contrast, organometallic-phthalocyanine nitrogen K-edges have a small in-plane resonance superimposed on this π* region that is due to a transition into molecular orbitals interacting with the 3dx(2)-y(2) empty state. NEXAFS spectra recorded at the metal L-edges for the prostrate films reveal dramatic variations in the angular dependence of specific resonances for the Cu-phthalocyanines compared with the Fe-, and Co-phthalocyanines. The Cu L3,2 edge exhibits a strong in-plane resonance, attributed to its b1g empty state with dx(2)-y(2) character at the Cu center. Conversely, the Fe- and Co- phthalocyanine L3,2 edges have strong out-of-plane resonances; these are attributed to transitions into not only b1g (dz(2)) but also eg states with dxz and dyz character at the metal center.

  12. Conversion of electronic to magnonic spin current at a heavy-metal magnetic-insulator interface

    Science.gov (United States)

    Wang, Xi-guang; Li, Zhi-xiong; Zhou, Zhen-wei; Nie, Yao-zhuang; Xia, Qing-lin; Zeng, Zhong-ming; Chotorlishvili, L.; Berakdar, J.; Guo, Guang-hua

    2017-01-01

    Electronic spin current is convertible to magnonic spin current via the creation or annihilation of thermal magnons at the interface of a magnetic insulator and a metal with a strong spin-orbital coupling. So far this phenomenon was evidenced in the linear regime. Based on analytical and full-fledged numerical results for the nonlinear regime we demonstrate that the generated thermal magnons or magnonic spin current in the insulator is asymmetric with respect to the charge current direction in the metal and exhibits a nonlinear dependence on the charge current density, which is explained by the tuning effect of the spin Hall torque and the magnetization damping. The results are also discussed in light of, and are in line with, recent experiments pointing to a new way of nonlinear manipulation of spin with electrical means.

  13. Measurement of vibrational spectrum of liquid using monochromated scanning transmission electron microscopy-electron energy loss spectroscopy.

    Science.gov (United States)

    Miyata, Tomohiro; Fukuyama, Mao; Hibara, Akihide; Okunishi, Eiji; Mukai, Masaki; Mizoguchi, Teruyasu

    2014-10-01

    Investigations on the dynamic behavior of molecules in liquids at high spatial resolution are greatly desired because localized regions, such as solid-liquid interfaces or sites of reacting molecules, have assumed increasing importance with respect to improving material performance. In application to liquids, electron energy loss spectroscopy (EELS) observed with transmission electron microscopy (TEM) is a promising analytical technique with the appropriate resolutions. In this study, we obtained EELS spectra from an ionic liquid, 1-ethyl-3-methylimidazolium bis (trifluoromethyl-sulfonyl) imide (C2mim-TFSI), chosen as the sampled liquid, using monochromated scanning TEM (STEM). The molecular vibrational spectrum and the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap of the liquid were investigated. The HOMO-LUMO gap measurement coincided with that obtained from the ultraviolet-visible spectrum. A shoulder in the spectrum observed ∼0.4 eV is believed to originate from the molecular vibration. From a separately performed infrared observation and first-principles calculations, we found that this shoulder coincided with the vibrational peak attributed to the C-H stretching vibration of the [C2mim(+)] cation. This study demonstrates that a vibrational peak for a liquid can be observed using monochromated STEM-EELS, and leads one to expect observations of chemical reactions or aids in the analysis of the dynamic behavior of molecules in liquid. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  14. Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects.

    Science.gov (United States)

    Marsalek, Ondrej; Markland, Thomas E

    2017-03-22

    Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable challenges of treating the quantum nature of both the electrons and nuclei. Exploiting our recently developed methods that provide acceleration by up to 2 orders of magnitude, we combine path integral simulations with on-the-fly evaluation of the electronic structure at the hybrid density functional theory level to capture the interplay between nuclear quantum effects and the electronic surface. Here we show that this combination provides accurate structure and dynamics, including the full infrared and Raman spectra of liquid water. This allows us to demonstrate and explain the failings of lower-level density functionals for dynamics and vibrational spectroscopy when the nuclei are treated quantum mechanically. These insights thus provide a foundation for the reliable investigation of spectroscopy and reactivity in aqueous environments.

  15. Raman Spectroscopy of InAs Based Nanowires & Electronic Characterization of Heterostructure InAs/GaInAs Nanowires

    DEFF Research Database (Denmark)

    Tanta, Rawa

    spectroscopy measurements on InAs based nanowires include several topics. Firstly, we use polarized Raman spectroscopy for determining the crystal orientation of the nanowires based on conventional Raman selection rules. We studied the effect of the high power laser irradiation on the nanowire, and its......The work presented in this thesis represents two main topics. The first one, which covers a bigger volume of the thesis, is mainly about Raman spectroscopy on individual InAs based nanowires. The second part presents electronic characterization of heterostructure InAs/GaInAs nanowires. Raman...

  16. Conversion of a low cost off-the-shelf spectrometer into a suitable instrument for deep tissue spectroscopy

    Science.gov (United States)

    Wright, Eric; St. Lawrence, Keith; Diop, Mamadou

    2013-03-01

    Efficient light collection is critical in noninvasive deep tissue spectroscopy since only a small fraction of the injected light emerges from any given finite area on the surface of the probed medium. Light collection can be improved by optimizing the contact area between the detection system and the probed medium by means of light guides with large detection areas. Since the form factor of these light guides do not match the entrance of commercial spectrometers, which are usually equipped with a narrow slit to improve their spectral resolution, deep tissue spectrometers are typically custom-built. However, off-the-shelf spectrometers have attractive advantages compared to custom-made units, such as low-cost, small foot-print and availability. In this report, we present simple modifications to an off-the-shelf spectrometer to convert it into a suitable instrument for deep tissue spectroscopy. The modified spectrometer was characterized and compared to a custom-built unit specifically designed for deep tissue spectroscopy. We also present in vivo measurements acquired simultaneously with the two spectrometers in a piglet model of newborn.

  17. Investigation of radiosterilization of Benzydamine Hydrochloride by electron spin resonance spectroscopy

    Science.gov (United States)

    Çolak, Şeyda

    2016-10-01

    The use of ionizing radiation for sterilization of pharmaceuticals is an attractive and growing technology. In the present work, the spectroscopic and kinetic features of the radicals induced in gamma irradiated solid Benzydamine Hydrochloride (BH) sample is investigated in the dose range of 3-34 kGy at different temperatures using Electron Spin Resonance (ESR) spectroscopy. Gamma irradiated BH indicated eight resonance peaks centered at g=2.0029 originating from two different radical species. Decay activation energy of the radical mostly responsible from central intense resonance line was calculated to be 25.6±1.5 kJ/mol by using the signal intensity decay data derived from annealing studies performed at high temperatures. A linear function of the applied dose was found to describe best the experimental dose-response data. However, the discrimination of irradiated BH from unirradiated one was possible even 3 months after storage at normal conditions. Basing on these findings it was concluded that BH and BH containing drugs could be safely sterilized by gamma radiation and that ESR spectroscopy could be successfully used as a potential technique for monitoring their radiosterilizations.

  18. Addressing the electronic properties of III-V nanowires by photoluminescence excitation spectroscopy

    Science.gov (United States)

    De Luca, M.

    2017-02-01

    Semiconductor nanowires (NWs) have been attracting an increasing interest in the scientific community. This is due to their peculiar filamentary shape and nanoscale diameter, which renders them versatile and cost-effective components of novel technological devices and also makes them an ideal platform for the investigation of a variety of fascinating physical effects. Absorption spectroscopy is a powerful and non-destructive technique able to provide information on the physical properties of the NWs. However, standard absorption spectroscopy is hard to perform in NWs, because of their small volume and the presence of opaque substrates. Here, we demonstrate that absorption can be successfully replaced by photoluminescence excitation (PLE). First, the use of polarization-resolved PLE to address the complex and highly-debated electronic band structure of wurtzite GaAs and InP NWs is shown. Then, PLE is used as a statistically-relevant method to localize the presence of separate wurtzite and zincblende NWs in the same InP sample. Finally, a variety of resonant exotic effects in the density of states of In x Ga1-x As/GaAs core/shell NWs are highlighted by high-resolution PLE. , which features invited work from the best early-career researchers working within the scope of J. Phys. D. This project is part of the Journal of Physics’ series 50th anniversary celebrations in 2017. Marta De Luca was selected by the Editorial Board of J. Phys. D as a Leader.

  19. White light scattering spectroscopy and electron microscopy of laser induced melting in single gold nanorods.

    Science.gov (United States)

    Zijlstra, Peter; Chon, James W M; Gu, Min

    2009-07-28

    We present the first measurements of laser induced melting and reshaping of single gold nanorods. Using a combination of white light scattering spectroscopy and electron microscopy we find a melting energy of 260 fJ for nanorods with an average size of 92 x 30 nm. Contrary to previous reports on ensembles of nanorods, this melting energy corresponds well to the theoretical prediction of 225 fJ. We observe a gradual shape change from a long and thin rod to a shorter and wider rod, which eventually collapses into a sphere when enough laser energy is deposited. We also observe that higher aspect ratio particles are thermodynamically less stable, leading to a greater reduction of the aspect ratio at lower laser pulse energy densities.

  20. CHARACTERIZATION OF REFINED HEMP FIBERS USING NIR FT RAMAN MICRO SPECTROSCOPY AND ENVIRONMENTAL SCANNING ELECTRON MICROSCOPY

    Directory of Open Access Journals (Sweden)

    Siva Kumar Kovur

    2008-11-01

    Full Text Available The research was focused on the separation of single hemp (Cannabis sativa L. fibre cells with low fineness from mechanically extracted fibre bundles of high fineness. The fiber bundles were treated with enzymes, namely panzym, pectinase, hemicellulase, and cellulase, along with a combination of panzym and ultrasonic treatments. Changes in the fiber structure were followed at molecular and microscopic levels by means of NIR FT Raman spectroscopy and Environmental Scanning Electron Microscopy (ESEM. Buffer-panzym treatments of hemp fibers had a prominent effect in loosening of the fiber cells. The best of refining was achieved when the fiber bundles were treated with buffer-panzym solution in combination with ultrasonic treatment.

  1. Comparison endpoint study of process plasma and secondary electron beam exciter optical emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Stephan Thamban, P. L.; Yun, Stuart; Padron-Wells, Gabriel; Hosch, Jimmy W.; Goeckner, Matthew J. [Department of Mechanical Engineering, University of Texas at Dallas, 800W Campbell Road, Richardson, Texas 75080 (United States); Department of Electrical Engineering, University of Texas at Dallas, 800W Campbell Road, Richardson, Texas 75080 (United States); Verity Instruments, Inc., 2901 Eisenhower Street, Carrollton, Texas 75007 (United States); Department of Mathematical Sciences, University of Texas at Dallas, 800 W Campbell Road, Richardson, Texas 75080 (United States)

    2012-11-15

    Traditionally process plasmas are often studied and monitored by optical emission spectroscopy. Here, the authors compare experimental measurements from a secondary electron beam excitation and direct process plasma excitation to discuss and illustrate its distinctiveness in the study of process plasmas. They present results that show excitations of etch process effluents in a SF{sub 6} discharge and endpoint detection capabilities in dark plasma process conditions. In SF{sub 6} discharges, a band around 300 nm, not visible in process emission, is observed and it can serve as a good indicator of etch product emission during polysilicon etches. Based on prior work reported in literature the authors believe this band is due to SiF{sub 4} gas phase species.

  2. Identification and Quantification of Copper Sites in Zeolites by Electron Paramagnetic Resonance Spectroscopy

    DEFF Research Database (Denmark)

    Godiksen, Anita; Vennestrøm, Peter N. R.; Rasmussen, Søren Birk

    2016-01-01

    Recent quantitative electron paramagnetic resonance spectroscopy (EPR) data on different copper species present in copper exchanged CHA zeolites are presented and put into context with the literature on other copper zeolites. Results presented herein were obtained using ex situ and in situ EPR...... on copper ion exchanged into a CHA zeolite with Si/Al = 14 ± 1 to obtain Cu/Al = 0.46 ± 0.02. The results shed light on the identity of different copper species present after activation in air. Since the EPR signal is quantifiable, the content of the different EPR active species has been elucidated and Cu2...... information about the reactivity and the quantity of some of the otherwise EPR silent species. In this way the [Cu–OH]+ species in copper substituted low-Al zeolites has been indirectly observed and quantified. EPR active Cu2+ species have been followed under reduction and oxidation with gas mixtures relevant...

  3. Strong Asymmetric Charge Carrier Dependence in Inelastic Electron Tunneling Spectroscopy of Graphene Phonons.

    Science.gov (United States)

    Natterer, Fabian D; Zhao, Yue; Wyrick, Jonathan; Chan, Yang-Hao; Ruan, Wen-Ying; Chou, Mei-Yin; Watanabe, Kenji; Taniguchi, Takashi; Zhitenev, Nikolai B; Stroscio, Joseph A

    2015-06-19

    The observation of phonons in graphene by inelastic electron tunneling spectroscopy has been met with limited success in previous measurements arising from weak signals and other spectral features which inhibit a clear distinction between phonons and miscellaneous excitations. Utilizing a back-gated graphene device that allows adjusting the global charge carrier density, we introduce an averaging method where individual tunneling spectra at varying charge carrier density are combined into one representative spectrum. This method improves the signal for inelastic transitions while it suppresses dispersive spectral features. We thereby map the total graphene phonon density of states, in good agreement with density functional calculations. Unexpectedly, an abrupt change in the phonon intensity is observed when the graphene charge carrier type is switched through a variation of the back-gate electrode potential. This sudden variation in phonon intensity is asymmetric in the carrier type, depending on the sign of the tunneling bias.

  4. Electron energy loss spectroscopy study of Sr2-xGdxTiMnO6

    Science.gov (United States)

    Biskup, Nevenko; Alvarez-Serrano, Inmaculada; Veiga, Maria Luisa; Garcia-Hernandez, Mar; Lopez, Maria Luisa; Varela, Maria

    2012-02-01

    The newly synthesized double perovskite family Sr2-xGdxTiMnO6 (0electron energy loss spectroscopy. We find that, is spite of some precipitations of Mn and Ti rich regions that exist in 0.25<=x<=0.75, the manganese and titanium ions are generally well intermixed in both interior of the grains and on the grain boundaries. We discuss these results in the frame of highly non-linear electrical conductivity found in these materials.

  5. In situ light spectroscopy in the environmental transmission electron microscope (ETEM)

    DEFF Research Database (Denmark)

    Cavalca, Filippo; Langhammer, C.; Pedersen, Thomas

    2012-01-01

    and can be employed with a variety of other methods that require light input and/or output. The two fibers can be used as parallel light inlets to activate a photoinduced reaction, e.g. photoinduced reduction of particles or nanoparticle photodeposition [7]. Alternatively, both fibers can be used...... the LSPR signal coming from the whole specimen, providing information complementary to the TEM analysis. During any ETEM experiment the electron beam effect on the sample is a difficult issue to address and rule out. In addition, if a reaction has to be followed in situ in the ETEM, the information...... electrical contacts, a fixed miniaturized optical bench for light handling and a heating element (Fig. 1) has been designed. A system of pre-aligned mirrors and a MEMS heater are implemented in the holder. The system is primarily designed for use in combination with LSPR spectroscopy, but it is flexible...

  6. Valence orbitals of W(CO)6 using electron momentum spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Shi Le-Lei; Liu Kun; Luo Zhi-Hong; Ning Chuan-Gang; Deng Jing-Kang

    2011-01-01

    The binding energy spectra and the momentum distributions of the outer valence orbitals of W(CO)6 have been studied by using electron momentum spectroscopy as well as non-relativistic,scalar relativistic and spin-orbital relativistic DFT-B3LYP calculations.The experimental momentum profiles of the outer valence orbitals obtained with the impact energies of 1200 eV and 2400 eV were compared with various theoretical calculation results.The relativistic calculations could provide better descriptions for the experimental momentum distributions than the non-relativistic ones.Moreover,a new ordering of orbitals 10t1u,3t2g,and 7eg,i.e.,10t1u < 3t2g <7eg <10a1g,is established in this work.

  7. Conductance maps by electrochemical tunneling spectroscopy to fingerprint the electrode electronic structure.

    Science.gov (United States)

    Díez-Pérez, Ismael; Güell, Aleix G; Sanz, Fausto; Gorostiza, Pau

    2006-10-15

    We describe a methodology to perform reliable tunneling spectroscopy in electrochemical media. Sequential in situ tunneling spectra are recorded while the electrochemical potential of the electrode is scanned. Spectroscopic data are presented as conductance maps or conductograms that show the in situ electronic structure of an electrode surface while it undergoes an electrochemical reaction. The conductance map or conductogram represents the redox fingerprint of an electrode/liquid interface in a specific medium and can serve to predict its electrochemical behavior in a quantitative energy scale. The methodology is validated studying the reversible oxidation and passivity of an iron electrode in borate buffer, and we describe the main quantitative information that can be extracted concerning the semiconducting properties of the Fe passive film. This methodology is useful to study heterogeneous catalysis, electrochemical sensing and bioelectronic systems.

  8. Free radical scavenging activity of erdosteine metabolite I investigated by electron paramagnetic resonance spectroscopy.

    Science.gov (United States)

    Braga, Pier Carlo; Culici, Maria; Dal Sasso, Monica; Falchi, Mario; Spallino, Alessandra

    2010-01-01

    The aim of this study was to explore the antiradical activity of Met I (an active metabolite of erdosteine) containing a pharmacologically active sulphydryl group, by means of electron paramagnetic resonance (EPR) spectroscopy which has not previously been used to characterize the antiradical activity of Met I. The effects of concentrations of 20, 10, 5, 2.5, 1.25 and 0.625 microg/ml of Met I were tested against: (a) the Fenton reaction model system with EPR detection of HO.; (b) the KO2-crown ether system with EPR detection of O2-.; (c) the EPR assay based on the reduction of the Tempol radical, and (d) the EPR assay based on the reduction of Fremy's salt radical. Our findings show that the intensity of 4 different free radicals was significantly reduced in the presence of Met I, thus indicating the presence of a termination reaction between the free radicals and Met I.

  9. Note: High sensitivity pulsed electron spin resonance spectroscopy with induction detection.

    Science.gov (United States)

    Twig, Ygal; Dikarov, Ekaterina; Hutchison, Wayne D; Blank, Aharon

    2011-07-01

    Commercial electron spin resonance spectroscopy and imaging systems make use of the so-called "induction" or "Faraday" detection, which is based on a radio frequency coil or a microwave resonator. The sensitivity of induction detection does not exceed ~3 × 10(8) spins/√Hz. Here we show that through the use of a new type of surface loop-gap microresonators (inner size of 20 μm), operating at cryogenic temperatures at a field of 0.5 T, one can improve upon this sensitivity barrier by more than 2 orders of magnitude and reach spin sensitivities of ~1.5 × 10(6) spins/√Hz or ~2.5 × 10(4) spins for 1 h.

  10. Correction of non-linearity effects in detectors for electron spectroscopy

    CERN Document Server

    Mannella, N; Kay, A W; Nambu, A; Gresch, T; Yang, S H; Mun, B S; Bussat, J M; Rosenhahn, A; Fadley, C S

    2004-01-01

    Using photoemission intensities and a detection system employed by many groups in the electron spectroscopy community as an example, we have quantitatively characterized and corrected detector non-linearity effects over the full dynamic range of the system. Non-linearity effects are found to be important whenever measuring relative peak intensities accurately is important, even in the low-countrate regime. This includes, for example, performing quantitative analyses for surface contaminants or sample bulk stoichiometries, where the peak intensities involved can differ by one or two orders of magnitude, and thus could occupy a significant portion of the detector dynamic range. Two successful procedures for correcting non-linearity effects are presented. The first one yields directly the detector efficiency by measuring a flat-background reference intensity as a function of incident x-ray flux, while the second one determines the detector response from a least-squares analysis of broad-scan survey spectra at di...

  11. Vibronic Characteristics and Spin-Density Distributions in Bacteriochlorins as Revealed by Spectroscopic Studies of 16 Isotopologues. Implications for Energy- and Electron-Transfer in Natural Photosynthesis and Artificial Solar-Energy Conversion.

    Science.gov (United States)

    Diers, James R; Tang, Qun; Hondros, Christopher J; Chen, Chih-Yuan; Holten, Dewey; Lindsey, Jonathan S; Bocian, David F

    2014-06-26

    Vibronic characteristics and spin-density distributions in the core bacteriochlorin macrocycle were revealed by spectroscopic and theoretical studies of 16 isotopologues. The vibrational modes in copper bacteriochlorin isotopologues were examined via resonance Raman and Fourier-transform infrared spectroscopy. The resonance Raman spectra exhibit an exceptional sparcity of vibronically active modes of the core macrocycle, in contrast with the rich spectra of the natural bacteriochlorophylls. The Qy-excitation resonance Raman spectrum is dominated by a single mode at 727 cm(-1), which calculations suggest is due to a symmetrical accordion-like deformation of the five-atom Cm(CaNCa)pyrroleCm portion of the ring core. This deformation also dominates the vibronic features in the absorption and fluorescence spectra. The spin-density distributions in the π-cation radical of the zinc bacteriochlorin isotopologues were studied by electron paramagnetic resonance spectroscopy. The spectra indicate a significant electron/spin density (ρ ∼ 0.1) on each meso-carbon atom. This observation contradicts the predictions of early calculations that have been assumed to be correct for nearly four decades. Collectively, these findings have implications for how the structural features that characterize natural bacteriochlorophylls might influence energy- and electron-transfer processes in photosynthesis and alter the thinking on the design of synthetic, bacteriochlorin-based arrays for solar-energy conversion.

  12. Electronic structure investigation of atomic layer deposition ruthenium(oxide) thin films using photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Michael, E-mail: mvschaefer@mail.usf.edu, E-mail: schlaf@mail.usf.edu [Department of Physics, University of South Florida, Tampa, Florida 33620 (United States); Schlaf, Rudy, E-mail: mvschaefer@mail.usf.edu, E-mail: schlaf@mail.usf.edu [Department of Electrical Engineering, University of South Florida, Tampa, Florida 33620 (United States)

    2015-08-14

    Analyzing and manipulating the electronic band line-up of interfaces in novel micro- and nanoelectronic devices is important to achieve further advancement in this field. Such band alignment modifications can be achieved by introducing thin conformal interfacial dipole layers. Atomic layer deposition (ALD), enabling angstrom-precise control over thin film thickness, is an ideal technique for this challenge. Ruthenium (Ru{sup 0}) and its oxide (RuO{sub 2}) have gained interest in the past decade as interfacial dipole layers because of their favorable properties like metal-equivalent work functions, conductivity, etc. In this study, initial results of the electronic structure investigation of ALD Ru{sup 0} and RuO{sub 2} films via photoemission spectroscopy are presented. These experiments give insight into the band alignment, growth behavior, surface structure termination, and dipole formation. The experiments were performed in an integrated vacuum system attached to a home-built, stop-flow type ALD reactor without exposing the samples to the ambient in between deposition and analysis. Bis(ethylcyclopentadienyl)ruthenium(II) was used as precursor and oxygen as reactant. The analysis chamber was outfitted with X-ray photoemission spectroscopy (LIXPS, XPS). The determined growth modes are consistent with a strong growth inhibition situation with a maximum average growth rate of 0.21 Å/cycle for RuO{sub 2} and 0.04 Å/cycle for Ru.{sup 0} An interface dipole of up to −0.93 eV was observed, supporting the assumption of a strongly physisorbed interface. A separate experiment where the surface of a RuO film was sputtered suggests that the surface is terminated by an intermediate, stable, non-stoichiometric RuO{sub 2}/OH compound whose surface is saturated with hydroxyl groups.

  13. Monomer conversion of composite dental resins photoactivated by a halogen lamp and a LED: a FT-Raman spectroscopy study

    Directory of Open Access Journals (Sweden)

    Luís Eduardo Silva Soares

    2005-03-01

    Full Text Available Eighteen circular blocks of resins cured either by a LED or a halogen lamp (20, 40 and 60 s, had their top (T and bottom (B surfaces studied using a FT-Raman spectrometer. Systematic changes in the intensity of the methacrylate C=C stretching mode at 1638 cm-1 as a function of exposure duration were observed. The calculated degree of conversion (DC ranged from 45.0% (B to 52.0% (T and from 49.0% (B to 55.0% (T for the LED and halogen lamp, respectively. LED and halogen light produced similar DC values with 40 and 60 s of irradiation.

  14. Electronic Properties of Hydrogen Storage Materials with Photon-in/Photon-out Soft-X-Ray Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Jinghua

    2008-09-22

    The applications of resonant soft X-ray emission spectroscopy on a variety of carbon systems have yielded characteristic fingerprints. With high-resolution monochromatized synchrotron radiation excitation, resonant inelastic X-ray scattering has emerged as a new source of information about electronic structure and excitation dynamics. Photon-in/photon-out soft-X-ray spectroscopy is used to study the electronic properties of fundamental materials, nanostructure, and complex hydrides and will offer potential in-depth understanding of chemisorption and/or physisorption mechanisms of hydrogen adsorption/desorption capacity and kinetics.

  15. AES (auger electron spectroscopy) and EELS (electron energy loss spectroscopy) analysis of TlBaCaCuO/sub x/ thin films at 300 K and at 100 K

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, A.J.; Swartzlander, A.; Kazmerski, L.L.; Kang, J.H.; Kampwirth, R.T.; Gray, K.E.

    1988-10-01

    Auger electron spectroscopy line-shape analysis of the Tl(NOO), Ba(MNN), Ca(LMM), Cu(LMM) and O(KLL) peaks has been performed in conjunction with electron energy loss spectroscopy (EELS) on magnetron sputter deposited TlBaCaCuO/sub x/ thin films exhibiting a superconducting onset at 110K with zero resistance at 96K. AES and EELS analyses were performed at 300K and at 100K. Changes in the Auger line shapes and in the EELS spectra as the temperature is lowered below the critical point are related to changes in the electronic structure of states in the valence band (VB). Bulk and surface plasmon peaks are identified in the EELS spectra along with features due to core level transitions. Electron beam and ion beam induced effects are also addressed. 13 refs., 3 figs., 1 tab.

  16. Limitations of superfluid helium droplets as host system revealed by electronic spectroscopy of embedded molecules

    Energy Technology Data Exchange (ETDEWEB)

    Premke, Tobias

    2016-02-19

    Superfluid helium nanodroplets serve a unique cryogenic host system ideal to prepare cold molecules and clusters. Structures as well as dynamic processes can be examined by means of high resolution spectroscopy. Dopant spectra are accompanied by helium-induced spectroscopic features which reveal information on the dopant to helium interaction. For this reason the experimental research focuses on the investigation of such helium-induced effects in order to provide new information on the microsolvation inside the droplets. Since the quantitative understanding of helium-induced spectral features is essential to interpret molecular spectra recorded in helium droplets, this study contributes further experimental details on microsolvation in superfluid helium droplets. For this purpose two contrary systems were examined by means of high resolution electronic spectroscopy. The first one, phthalocyanine (Pc), is a planar organic molecule offering a huge and planar surface to the helium atoms and thus, the non-superfluid helium solvation layer can form different structures. The second system is iodine and in contrast to Pc it is of simple molecular shape. That means that in this case different complex structures of the non-superfluid helium solvation layer and the dopant can be expected to be avoided. Thus, both molecules should show clear differences in their microsolvation behavior. In this work a detailed examination of different spectroscopic properties of phthalocyanine is given by means of fluorescence excitation and dispersed emission spectroscopy. It raises legitimate doubts about the assignment of experimentally observed signals to features predicted by the model of the microsolvation. Even though there are no experimental observations which disprove the empirical model for the solvation in helium droplets, an unambiguous assignment of the helium-induced spectroscopic structures is often not possible. In the second part of this work, the investigation of the

  17. Biophysical Characterisation of Globins and Multi-Heme Cytochromes Using Electron Paramagnetic Resonance and Optical Spectroscopy

    Science.gov (United States)

    Desmet, Filip

    Heme proteins of different families were investigated in this work, using a combination of pulsed and continuous-wave electron paramagnetic resonance (EPR) spectroscopy, optical absorption spectroscopy, resonance Raman spectroscopy and laser flash photolysis. The first class of proteins that were investigated, were the globins. The globin-domain of the globin-coupled sensor of the bacterium Geobacter sulfurreducens was studied in detail using different pulsed EPR techniques (HYSCORE and Mims ENDOR). The results of this pulsed EPR study are compared with the results of the optical investigation and the crystal structure of the protein. The second globin, which was studied, is the Protoglobin of Methanosarcina acetivorans, various mutants of this protein were studied using laser flash photolysis and Raman spectroscopy to unravel the link between this protein's unusual structure and its ligand-binding kinetics. In addition to this, the CN -bound form of this protein was investigated using EPR and the influence of the strong deformation of the heme on the unusual low gz values is discussed. Finally, the neuroglobins of three species of fishes, Danio rerio, Dissostichus mawsoni and Chaenocephalus aceratus are studied. The influence of the presence or absence of two cysteine residues in the C-D and D-region of the protein on the EPR spectrum, and the possible formation of a disulfide bond is studied. The second group of proteins that were studied in this thesis belong to the family of the cytochromes. First the Mouse tumor suppressor cytochrome b561 was studied, the results of a Raman and EPR investigation are compared to the Human orthologue of the protein. Secondly, the tonoplast cytochrome b561 of Arabidopsis was investigated in its natural form and in two double-mutant forms, in which the heme at the extravesicular side was removed. The results of this investigation are then compared with two models in literature that predict the localisation of the hemes in this

  18. Recovery of nanomolecular electronic states from tunneling spectroscopy: LDOS of low-dimensional phthalocyanine molecular structures on Cu(111).

    Science.gov (United States)

    Yamagishi, Y; Nakashima, S; Oiso, K; Yamada, T K

    2013-10-04

    Organic nanomolecules have become one of the most attractive materials for new nanoelectronics devices. Understanding of the electronic density of states around the Fermi energy of low-dimensional molecules is crucial in designing the electronic properties of molecular devices. The low dimensionality of nanomolecules results in new electronic properties owing to their unique symmetry. Scanning tunneling spectroscopy is one of the most effective techniques for studying the electronic states of nanomolecules, particularly near the Fermi energy (±1.5 eV), whereas these molecular electronic states are frequently buried by the tunneling probability background in tunneling spectroscopy, resulting in incorrect determination of the molecular electronic states. Here, we demonstrate how to recover nanomolecular electronic states from dI/dV curves obtained by tunneling spectroscopy. Precise local density of states (LDOS) peaks for low-dimensional nanostructures (monolayer ultrathin films, one-dimensional chains, and single molecules) of phthalocyanine (H2Pc) molecules grown on noble fcc-Cu(111) were obtained.

  19. High resolution electron energy loss spectroscopy on graphene/SiC(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Koch, Roland J.; Endlich, Michael; Haensel, Thomas; Ahmed, Syed Imad U. [Institut fuer Physik und Institut fuer Mikro- und Nanotechnologien, TU Ilmenau (Germany); Seyller, Thomas [Lehrstuhl fuer Technische Physik, Universitaet Erlangen-Nuernberg, Erlangen-Nuernberg (Germany); Schaefer, Juergen A. [Institut fuer Physik und Institut fuer Mikro- und Nanotechnologien, TU Ilmenau (Germany); Department of Physics, Montana State University, Bozeman, Montana (United States)

    2010-07-01

    The recent experimental realization of single-layer graphene sheets has led to intense efforts to understand its electronic and vibrational properties in the context of solid state materials physics. In this contribution we investigate the interaction of epitaxial graphene with SiC(0001) using high resolution electron energy loss spectroscopy (HREELS). The focus in this contribution is on the coupling of charge carriers in semi-metallic graphene with the optical phonons of SiC(0001). Due to this coupling the surface optical phonons, the so called Fuchs-Kliewer phonons, completely vanish and two new modes {omega}{sub -} and {omega}{sub +} are observed instead. The energetic position and intensity of these modes depend strongly upon the momentum transferred parallel to the interface (q {sub parallel}), which we investigated in the regime of 0.005 A{sup -1} to 0.03A{sup -1}. Simulating our HREELS-data using dielectric theory and solving the Poisson- and Schroedinger equations self consistently allows us to determine the carrier density distribution and the conduction band edge normal to the plane of the graphene/SiC heterostructure.

  20. Molecular potentials and wave function mapping by high-resolution electron spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Kimberg, Victor, E-mail: victor.kimberg@pks.mpi.de [Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Straße 38, 01187 Dresden (Germany); Miron, Catalin, E-mail: miron@synchrotron-soleil.fr [Synchrotron SOLEIL, l’Orme des Merisiers, Saint-Aubin, BP 48, FR-91192 Gif-sur-Yvette Cedex (France)

    2014-08-15

    Highlights: • Some studies related to the vibrational wave functions mapping phenomenon are reviewed. • The core-excited vibrational wave functions were mapped using dissociative and bound final states. • High-resolution experimental data is accompanied by ab initio calculations. • The mapping phenomenon allows one to extract constants of the molecular potentials. • The mapping techniques are general and can be applied for the study of many systems. - Abstract: The recent development of high brightness 3{sup rd} generation soft X-ray sources and high energy resolution electron spectrometers made it possible to accurately trace quantum phenomena associated to the vibrational dynamics in core-excited molecules. The present paper reviews the recent results on mapping of vibrational wave functions and molecular potentials based on electron spectroscopy. We discuss and compare the mapping phenomena in various systems, stressing the advantages of the resonant X-ray scattering for studying of the nuclear dynamics and spectroscopic constants of small molecules. The experimental results discussed in the paper are most often accompanied by state-of-the-art ab initio calculations allowing for a deeper understanding of the quantum effects. Besides its fundamental interest, the vibrational wave function mapping is shown to be useful for the analysis of core- and valence-excited molecular states based on the reflection principle.

  1. The characterisation of non-evaporable getters by Auger electron spectroscopy Analytical potential and artefacts

    CERN Document Server

    Scheuerlein, C; Taborelli, M

    2002-01-01

    The surfaces of getter materials are particularly difficult to analyse because of their high chemical reactivity. The results obtained can be strongly influenced by the experimental set-up and procedures. In this paper the experimental influence on the Auger electron spectroscopy results is discussed, based on the measurements of more than 100 different non-evaporable getter (NEG) materials. There are four typical changes in the Auger electron spectra when a NEG becomes activated. The oxygen peak intensity decreases, the shape of the metal peaks changes, the carbon peak shape changes shape and intensity and a chlorine peak occurs. All these changes are affected by instrumental artefacts. The Zr-MNV peak shape changes occurring during the reduction of ZrO2 are well suited to determine the onset of NEG activation, while the slope with which the O-KLL peak intensity decreases in a certain temperature range is a better criterion for the determination of the temperature at which activation is complete. The O-KLL i...

  2. Oswald-Kasper-Gaukler model for reflection electron energy loss spectroscopy

    Science.gov (United States)

    Salvat-Pujol, F.; Werner, W. S. M.

    2011-05-01

    The Oswald-Kasper-Gaukler (OKG) model for elastic electron backscattering [J. Electr. Spectrosc. Rel. Phen.JESRAW0368-204810.1016/0368-2048(93)80019-I 61(1993)251] has been extended within the partial-intensity approach to take inelastic collisions into account. Analytical expressions have been derived for the path-length distribution and the partial intensities, achieving good agreement with results of Monte Carlo (MC) calculations of these quantities. A criterion is given to predict the validity of the model for a given material, geometry, and kinetic energy. Experimental reflection electron energy loss spectroscopy (REELS) spectra have been compared with REELS spectra calculated using the modified OKG model, obtaining good agreement between them. The proposed model is also applied in a quantitative analysis of experimental REELS. In all investigated cases, the single-scattering loss distributions retrieved from this analysis agree with results from previous analyses—based on MC calculations—within 5%. The presented model can therefore be employed in quantitative analyses of REELS of semi-infinite solids, while it is both numerically simpler and conceptually clearer than related approaches.

  3. Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Zhuoling; Wang, Hao [Centre for Nanoscale Science and Technology, Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871 (China); Sanvito, Stefano [School of Physics, AMBER and CRANN Institute, Trinity College, Dublin 2 (Ireland); Hou, Shimin, E-mail: smhou@pku.edu.cn [Centre for Nanoscale Science and Technology, Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871 (China); Beida Information Research (BIR), Tianjin 300457 (China)

    2015-12-21

    Inelastic electron tunneling spectroscopy (IETS) of a single hydrogen atom on the Cu(100) surface in a scanning tunneling microscopy (STM) configuration has been investigated by employing the non-equilibrium Green’s function formalism combined with density functional theory. The electron-vibration interaction is treated at the level of lowest order expansion. Our calculations show that the single peak observed in the previous STM-IETS experiments is dominated by the perpendicular mode of the adsorbed H atom, while the parallel one only makes a negligible contribution even when the STM tip is laterally displaced from the top position of the H atom. This propensity of the IETS is deeply rooted in the symmetry of the vibrational modes and the characteristics of the conduction channel of the Cu-H-Cu tunneling junction, which is mainly composed of the 4s and 4p{sub z} atomic orbitals of the Cu apex atom and the 1s orbital of the adsorbed H atom. These findings are helpful for deepening our understanding of the propensity rules for IETS and promoting IETS as a more popular spectroscopic tool for molecular devices.

  4. Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges

    Science.gov (United States)

    Fujita, N.; Hasnip, P. J.; Probert, M. I. J.; Yuan, J.

    2015-08-01

    A systematic study of simulated atomic-resolution electronic energy-loss spectroscopy (EELS) for different graphene nanoribbons (GNRs) is presented. The results of ab initio studies of carbon 1s core-loss EELS on GNRs with different ribbon edge structures and different hydrogen terminations show that theoretical core-loss EELS can distinguish key structural features at the atomic scale. In addition, the combination of polarized core-loss EELS with symmetry resolved electronic partial density of states calculations can be used to identify the origins of all the primary features in the spectra. For example, the nature of the GNR edge structure (armchair, zigzag, etc) can be identified, along with the degree of hydrogenation. Hence it is possible to use the combination of ab initio calculations with high resolution, high energy transmission core-loss EELS experiments to determine the local atomic arrangement and chemical bonding states (i.e. a structural fingerprint) in GNRs, which is essential for future practical applications of graphene.

  5. Electron momentum spectroscopy and linear combination of atomic orbitals calculation of bulk Na sub 2 O

    CERN Document Server

    Mikajlo, E A; Ford, M J

    2003-01-01

    This paper presents an experimental measurement of the electronic structure of Na sub 2 O in the solid phase using electron momentum spectroscopy and compares the results with ab initio calculations performed within the linear combination of atomic orbitals (LCAO) approximation. While Hartree-Fock (HF) can reproduce elastic properties we find it overestimates splitting of the oxygen valence bands by around 30% and the width of the O 2p band by a factor of 2. Our experimental values are 15.85 +- 0.2 and 0.6 +- 0.2 eV for these two quantities, respectively. Density functional methods are significantly better, with the hybrid functional PBE0 predicting the oxygen bandgap to within the experimental error. PBE0 also gives the best estimate of the Na core level energies. In contrast, HF performs best for the splitting between the oxygen and sodium bands. Our experimental values of 32.85 +- 0.2 and 27.45 +- 0.2 eV for the Na 2p-Na 2s and O 2p-Na 2p splittings agree well with previous measurements. Distribution of el...

  6. Adsorption on metal oxides Studies with the metastable impact electron spectroscopy

    CERN Document Server

    Krischok, S; Kempter, V

    2002-01-01

    An overview is given on the application of metastable impact electron spectroscopy, in combination with UPS, to the study of clean magnesia and titania surfaces and their interaction with metal atoms and small molecules. The mechanisms for metal adsorption on reducible (titania) and non-reducible (magnesia) substrates are different: while on titania the metal atom often bonds by electron transfer to Ti3d states, it is hybridization of the adsorbate and anion wavefunctions which accounts for the bonding on MgO. In the case of H sub 2 O, molecular adsorption takes place both on MgO and TiO sub 2; on the other hand, water-alkali coadsorption leads to hydroxide formation. In the case of CO sub 2 , chemisorption takes place in form of carbonate (CO sub 3) species. These originate from the CO sub 2 interaction with O sup 2 sup - surface anions. While for CaO chemisorption takes place at regular oxygen sites, for MgO this occurs at low-coordinated oxygen ions only; for TiO sub 2 chemisorption requires alkali coadsor...

  7. Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface.

    Science.gov (United States)

    Jiang, Zhuoling; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2015-12-21

    Inelastic electron tunneling spectroscopy (IETS) of a single hydrogen atom on the Cu(100) surface in a scanning tunneling microscopy (STM) configuration has been investigated by employing the non-equilibrium Green's function formalism combined with density functional theory. The electron-vibration interaction is treated at the level of lowest order expansion. Our calculations show that the single peak observed in the previous STM-IETS experiments is dominated by the perpendicular mode of the adsorbed H atom, while the parallel one only makes a negligible contribution even when the STM tip is laterally displaced from the top position of the H atom. This propensity of the IETS is deeply rooted in the symmetry of the vibrational modes and the characteristics of the conduction channel of the Cu-H-Cu tunneling junction, which is mainly composed of the 4s and 4pz atomic orbitals of the Cu apex atom and the 1s orbital of the adsorbed H atom. These findings are helpful for deepening our understanding of the propensity rules for IETS and promoting IETS as a more popular spectroscopic tool for molecular devices.

  8. Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges.

    Science.gov (United States)

    Fujita, N; Hasnip, P J; Probert, M I J; Yuan, J

    2015-08-01

    A systematic study of simulated atomic-resolution electronic energy-loss spectroscopy (EELS) for different graphene nanoribbons (GNRs) is presented. The results of ab initio studies of carbon [Formula: see text] core-loss EELS on GNRs with different ribbon edge structures and different hydrogen terminations show that theoretical core-loss EELS can distinguish key structural features at the atomic scale. In addition, the combination of polarized core-loss EELS with symmetry resolved electronic partial density of states calculations can be used to identify the origins of all the primary features in the spectra. For example, the nature of the GNR edge structure (armchair, zigzag, etc) can be identified, along with the degree of hydrogenation. Hence it is possible to use the combination of ab initio calculations with high resolution, high energy transmission core-loss EELS experiments to determine the local atomic arrangement and chemical bonding states (i.e. a structural fingerprint) in GNRs, which is essential for future practical applications of graphene.

  9. Time-resolved X-ray Absorption Spectroscopy for Electron Transport Study in Warm Dense Gold

    Science.gov (United States)

    Lee, Jong-Won; Bae, Leejin; Engelhorn, Kyle; Heimann, Philip; Ping, Yuan; Barbrel, Ben; Fernandez, Amalia; Beckwith, Martha Anne; Cho, Byoung-Ick; GIST Team; IBS Team; LBNL Collaboration; SLAC Collaboration; LLNL Collaboration

    2015-11-01

    The warm dense Matter represents states of which the temperature is comparable to Fermi energy and ions are strongly coupled. One of the experimental techniques to create such state in the laboratory condition is the isochoric heating of thin metal foil with femtosecond laser pulses. This concept largely relies on the ballistic transport of electrons near the Fermi-level, which were mainly studied for the metals in ambient conditions. However, they were barely investigated in warm dense conditions. We present a time-resolved x-ray absorption spectroscopy measured for the Au/Cu dual layered sample. The front Au layer was isochorically heated with a femtosecond laser pulse, and the x-ray absorption changes around L-edge of Cu, which was attached on the backside of Au, was measured with a picosecond resolution. Time delays between the heating of the `front surface' of Au layer and the alternation of x-ray spectrum of Cu attached on the `rear surface' of Au indicate the energetic electron transport mechanism through Au in the warm dense conditions. IBS (IBS-R012-D1) and the NRF (No. 2013R1A1A1007084) of Korea.

  10. A novel method to quantify the emission and conversion of VOCs in the smoking of electronic cigarettes

    Science.gov (United States)

    Kim, Yong-Hyun; Kim, Ki-Hyun

    2015-11-01

    An analytical technique was developed for the quantitation of volatile organic compounds (VOC) in three different forms of electronic cigarette (EC): solution, vapor, and aerosol. Through the application of the mass change tracking (MCT) approach, the consumed amount of the solution was measured to track the conversion of targets between the different phases. The concentration of aerosol plus vapor (A&V) decreased exponentially (559 to 129 g m-3) with increasing puff velocity (0.05 to 1 L min-1). A strong correlation existed between sampling volume and consumed solution mass (R2 = 0.9972 ± 0.0021 (n = 4)). In the EC solution, acetic acid was considerably high (25.8 μg mL-1), along with trace quantities of some VOCs (methyl ethyl ketone, toluene, propionic acid, and i-butyric acid: 0.24 ± 0.15 μg mL-1 (n = 4)). In the aerosol samples, many VOCs (n-butyraldehyde, n-butyl acetate, benzene, xylene, styrene, n-valeric acid, and n-hexanoic acid) were newly produced (138 ± 250 μg m-3). In general, the solution-to-aerosol (S/A) conversion was significant: e.g., 1,540% for i-butyric acid. The emission rates of all targets computed based on their mass in aerosol/ consumed solution (ng mL-1) were from 30.1 (p-xylene) to 398 (methyl ethyl ketone), while those of carboxyls were much higher from 166 (acetic acid) to 5,850 (i-butyric acid).

  11. High-resolution electron microscopy and spectroscopy of ferritin in biocompatible graphene liquid cells and graphene sandwiches.

    Science.gov (United States)

    Wang, Canhui; Qiao, Qiao; Shokuhfar, Tolou; Klie, Robert F

    2014-06-04

    Atomic and electronic structures of hydrated ferritin are characterized using electron microscopy and spectroscopy through encapsulation in single layer graphene in a biocompatible manner. Graphene's ability to reduce radiation damage levels to hydrogen bond breakage is demonstrated. A reduction of iron valence from 3+ to 2+ is measured at nanometer-resolution in ferritin, showing initial stages of iron release by ferritin. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Electronic structure of fluorinated multiwalled carbon nanotubes studied using x-ray absorption and photoelectron spectroscopy

    Science.gov (United States)

    Brzhezinskaya, M. M.; Muradyan, V. E.; Vinogradov, N. A.; Preobrajenski, A. B.; Gudat, W.; Vinogradov, A. S.

    2009-04-01

    This paper presents the results of combined investigation of the chemical bond formation in fluorinated multiwalled carbon nanotubes (MWCNTs) with different fluorine contents (10-55wt%) and reference compounds (highly oriented pyrolytic graphite crystals and “white” graphite fluoride) using x-ray absorption and photoelectron spectroscopy at C1s and F1s thresholds. Measurements were performed at BESSY II (Berlin, Germany) and MAX-laboratory (Lund, Sweden). The analysis of the soft x-ray absorption and photoelectron spectra points to the formation of covalent chemical bonding between fluorine and carbon atoms in the fluorinated nanotubes. It was established that within the probing depth (˜15nm) of carbon nanotubes, the process of fluorination runs uniformly and does not depend on the fluorine concentration. In this case, fluorine atoms interact with MWCNTs through the covalent attachment of fluorine atoms to graphene layers of the graphite skeleton (phase 1) and this bonding is accompanied by a change in the hybridization of the 2s and 2p valence electron states of the carbon atom from the trigonal (sp2) to tetrahedral (sp3) hybridization and by a large electron transfer between carbon an fluorine atoms. In the MWCNT near-surface region the second fluorine-carbon phase with weak electron transfer is formed; it is located mainly within two or three upper graphene monolayers, and its contribution becomes much poorer as the probing depth of fluorinated multiwalled carbon nanotubes (F-MWCNTs) increases. The defluorination process of F-MWCNTs on thermal annealing has been investigated. The conclusion has been made that F-MWCNT defluorination without destruction of graphene layers is possible.

  13. Energetics, molecular electronic structure, and spectroscopy of forming Group IIA dihalide complexes

    Science.gov (United States)

    Devore, T. C.; Gole, J. L.

    1999-02-01

    Multiple-collision relaxed (helium) chemiluminescence and laser-induced fluorescent spectroscopy have been used to demonstrate the highly efficient collisional stabilization of electronically excited Group IIA dihalide collision complexes formed in M (Ca,Sr)+X 2 (XY) (Cl 2, Br 2, ICl, IBr, I 2) reactive encounters. The first discrete emission spectra for the CaCl 2, CaBr 2, SrCl 2, SrBr 2, and SrICl dihalides are observed and evaluated; however, the low-pressure `continuous' chemiluminescent emission observed for forming barium dihalide (BaX 2) complexes is quenched under these experimental conditions. The reactions of the Group IIA metals with molecular fluorine do not readily produce the corresponding dihalide. While the lowest-lying observed dihalide visible transition is, as predicted, found to result in an extended progression in a dihalide complex bending mode (SrCl 2), the observed progression suggests the presence of a residual halogen (Cl-Cl) bond. Two higher-lying transitions are dominated by a vibrational mode structure corresponding to progressions in the symmetric stretching mode or, for nominally forbidden electronic transitions, odd quanta of the asymmetric stretching mode. Some evidence for sequence structure associated with the dihalide bending mode is also obtained. These observations are consistent with complex formation as it is coupled with a modified valence electron structure (correlation diagram) associated with the highly ionic nature of the dihalides. The bonding in the Group IIA dihalides (and their complexes), whose atomization energies are more than twice the metal monohalide bond energy, strongly influences the evaluation of energetics and the determination of monohalide bond energies from chemiluminescent processes. Discrepancies between those bond strengths determined by mass spectrometry and chemiluminescence are discussed with a focus on energy partitioning in dihalide complex formation and its influence on chemical vapor

  14. 2D atomic mapping of oxidation states in transition metal oxides by scanning transmission electron microscopy and electron energy-loss spectroscopy

    OpenAIRE

    Tan, H.; Turner, S.; Yücelen, E.; Verbeeck, J.; Van Tendeloo, G.

    2011-01-01

    Abstract: Using a combination of high-angle annular dark-field scanning transmission electron microscopy and atomically resolved electron energy-loss spectroscopy in an aberration-corrected transmission electron microscope we demonstrate the possibility of 2D atom by atom valence mapping in the mixed valence compound Mn3O4. The Mn L2,3 energy-loss near-edge structures from Mn2+ and Mn3+ cation sites are similar to those of MnO and Mn2O3 references. Comparison with simulations shows that even ...

  15. Microstructure and corrosion resistance of phytic acid conversion coatings for magnesium alloy

    Energy Technology Data Exchange (ETDEWEB)

    Cui Xiufang [School of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China); State Key Laboratory for Corrosion and Protection, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Li Qingfen [School of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China); Li Ying; Wang Fuhui [State Key Laboratory for Corrosion and Protection, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Jin Guo [School of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China)], E-mail: jg97721@yahoo.com.cn; Ding Minghui [School of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China)

    2008-12-30

    In this paper, a new innoxious and pollution-free chemical protective coating for magnesium alloys, phytic acid conversion coating, was prepared. The conversion coatings are found to have high cover ratio and no cracks are found by atomic force microscopes (AFM) and scanning electron microscopy (SEM). The main elements of the conversion coatings are Mg, Al, O, P and C by X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). The chemical state of the elements in the coatings was also investigated by Fourier transform infrared spectroscopy (FTIR). AES depth profile analysis suggests that the thickness of the conversion coating is about 340 nm. The corrosion resistance of the coatings was evaluated by polarization curves. The results indicate that the corrosion resistance for the conversion coated AZ91D magnesium alloys in 3.5% NaCl solution increases markedly. The mechanisms of corrosion resistance and coatings formation are also discussed.

  16. Microstructure and corrosion resistance of phytic acid conversion coatings for magnesium alloy

    Science.gov (United States)

    Cui, Xiufang; Li, Qingfen; Li, Ying; Wang, Fuhui; Jin, Guo; Ding, Minghui

    2008-12-01

    In this paper, a new innoxious and pollution-free chemical protective coating for magnesium alloys, phytic acid conversion coating, was prepared. The conversion coatings are found to have high cover ratio and no cracks are found by atomic force microscopes (AFM) and scanning electron microscopy (SEM). The main elements of the conversion coatings are Mg, Al, O, P and C by X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). The chemical state of the elements in the coatings was also investigated by Fourier transform infrared spectroscopy (FTIR). AES depth profile analysis suggests that the thickness of the conversion coating is about 340 nm. The corrosion resistance of the coatings was evaluated by polarization curves. The results indicate that the corrosion resistance for the conversion coated AZ91D magnesium alloys in 3.5% NaCl solution increases markedly. The mechanisms of corrosion resistance and coatings formation are also discussed.

  17. Transmission electron microscopy, photoluminescence, and capacitance spectroscopy on GaAs/Si grown by metal organic chemical vapor deposition

    Science.gov (United States)

    Bremond, Georges E.; Said, Hicham; Guillot, Gerard; Meddeb, Jaafar; Pitaval, M.; Draidia, Nasser; Azoulay, Rozette

    1991-03-01

    We present a complete characterization study of GaAs/Si heteroepitaxial layers grown by metalorganic chemical vapor deposition (MOCVD) at 750C using the two-step method. High resolution transmission electron microscopy secondary ion mass spectroscopy deep level transient spectroscopy (DLTS) and photoluminescence (PL) spectroscopy have been performed to study the initial stage of growth misfit and threading dislocations Si diffusion and the deep levels in the GaAs layer. We describe the influence of GaAs/AlAs superlattices in the buffer layer on the decrease of dislocation density and on Si diffusion from the substrate and the existence of deep electron traps induced by the heteroepitaxy. DLTS reveals hole traps attributed to Si incorporation on the basis of PL measurements which could contribute to the reduction of the minority carrier lifetime. We also show an improvement of the layer quality by the use of selective epitaxy.

  18. Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium

    Energy Technology Data Exchange (ETDEWEB)

    Maiuri, Margherita [CNR-IFN, Dipartimento di Fisica, Politecnico di Milano, P.zza L. da Vinci 32, Milano 20133 (Italy); Department of Chemistry, Princeton University, Washington Road, Princeton, New Jersey 08544 (United States); Réhault, Julien; Polli, Dario; Cerullo, Giulio, E-mail: giulio.cerullo@polimi.it [CNR-IFN, Dipartimento di Fisica, Politecnico di Milano, P.zza L. da Vinci 32, Milano 20133 (Italy); Carey, Anne-Marie; Hacking, Kirsty; Cogdell, Richard J. [Glasgow Biomedical Research Centre, IBLS, University of Glasgow, 126 Place, Glasgow G12 8TA, Scotland (United Kingdom); Garavelli, Marco [Dipartimento di Chimica “G. Ciamician,” Università di Bologna, Via Selmi 2, IT-40126 Bologna (Italy); CNRS, Institut de Chimie de Lyon, École Normale Supérieure de Lyon, Université de Lyon, 46 Allée d’Italie, F-69364 Lyon Cedex 07 (France); Lüer, Larry [Madrid Institute for Advanced Studies, IMDEA Nanociencia, Madrid (Spain)

    2015-06-07

    We investigate the excitation energy transfer (EET) pathways in the photosynthetic light harvesting 1 (LH1) complex of purple bacterium Rhodospirillum rubrum with ultra-broadband two-dimensional electronic spectroscopy (2DES). We employ a 2DES apparatus in the partially collinear geometry, using a passive birefringent interferometer to generate the phase-locked pump pulse pair. This scheme easily lends itself to two-color operation, by coupling a sub-10 fs visible pulse with a sub-15-fs near-infrared pulse. This unique pulse combination allows us to simultaneously track with extremely high temporal resolution both the dynamics of the photoexcited carotenoid spirilloxanthin (Spx) in the visible range and the EET between the Spx and the B890 bacterio-chlorophyll (BChl), whose Q{sub x} and Q{sub y} transitions peak at 585 and 881 nm, respectively, in the near-infrared. Global analysis of the one-color and two-color 2DES maps unravels different relaxation mechanisms in the LH1 complex: (i) the initial events of the internal conversion process within the Spx, (ii) the parallel EET from the first bright state S{sub 2} of the Spx towards the Q{sub x} state of the B890, and (iii) the internal conversion from Q{sub x} to Q{sub y} within the B890.

  19. Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium

    Science.gov (United States)

    Maiuri, Margherita; Réhault, Julien; Carey, Anne-Marie; Hacking, Kirsty; Garavelli, Marco; Lüer, Larry; Polli, Dario; Cogdell, Richard J.; Cerullo, Giulio

    2015-06-01

    We investigate the excitation energy transfer (EET) pathways in the photosynthetic light harvesting 1 (LH1) complex of purple bacterium Rhodospirillum rubrum with ultra-broadband two-dimensional electronic spectroscopy (2DES). We employ a 2DES apparatus in the partially collinear geometry, using a passive birefringent interferometer to generate the phase-locked pump pulse pair. This scheme easily lends itself to two-color operation, by coupling a sub-10 fs visible pulse with a sub-15-fs near-infrared pulse. This unique pulse combination allows us to simultaneously track with extremely high temporal resolution both the dynamics of the photoexcited carotenoid spirilloxanthin (Spx) in the visible range and the EET between the Spx and the B890 bacterio-chlorophyll (BChl), whose Qx and Qy transitions peak at 585 and 881 nm, respectively, in the near-infrared. Global analysis of the one-color and two-color 2DES maps unravels different relaxation mechanisms in the LH1 complex: (i) the initial events of the internal conversion process within the Spx, (ii) the parallel EET from the first bright state S2 of the Spx towards the Qx state of the B890, and (iii) the internal conversion from Qx to Qy within the B890.

  20. Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium.

    Science.gov (United States)

    Maiuri, Margherita; Réhault, Julien; Carey, Anne-Marie; Hacking, Kirsty; Garavelli, Marco; Lüer, Larry; Polli, Dario; Cogdell, Richard J; Cerullo, Giulio

    2015-06-01

    We investigate the excitation energy transfer (EET) pathways in the photosynthetic light harvesting 1 (LH1) complex of purple bacterium Rhodospirillum rubrum with ultra-broadband two-dimensional electronic spectroscopy (2DES). We employ a 2DES apparatus in the partially collinear geometry, using a passive birefringent interferometer to generate the phase-locked pump pulse pair. This scheme easily lends itself to two-color operation, by coupling a sub-10 fs visible pulse with a sub-15-fs near-infrared pulse. This unique pulse combination allows us to simultaneously track with extremely high temporal resolution both the dynamics of the photoexcited carotenoid spirilloxanthin (Spx) in the visible range and the EET between the Spx and the B890 bacterio-chlorophyll (BChl), whose Qx and Qy transitions peak at 585 and 881 nm, respectively, in the near-infrared. Global analysis of the one-color and two-color 2DES maps unravels different relaxation mechanisms in the LH1 complex: (i) the initial events of the internal conversion process within the Spx, (ii) the parallel EET from the first bright state S2 of the Spx towards the Qx state of the B890, and (iii) the internal conversion from Qx to Qy within the B890.

  1. Characterization of Al2O3-Supported Manganese Oxides by Electron Spin Resonance and Diffuse Reflectance Spectroscopy

    NARCIS (Netherlands)

    Kijlstra, W.S.; Poels, E.K.; Bliek, A.; Weckhuysen, B.M.; Schoonheydt, R.A.

    1996-01-01

    Alumina-supported manganese oxides, used as catalysts for the selective catalytic reduction of NO, were characterized by combined electron spin resonance and diffuse reflectance spectroscopies. Upon impregnation of the acetate precursor solution, the [Mn(H2O)6]^2+ complex interacts strongly with

  2. Antiproton–to–electron mass ratio determined by two-photon laser spectroscopy of antiprotonic helium atoms

    Directory of Open Access Journals (Sweden)

    Sótér A.

    2014-03-01

    Full Text Available The ASACUSA collaboration of CERN has recently carried out two-photon laser spectroscopy of antiprotonic helium atoms. Three transition frequencies were determined with fractional precisions of 2.3–5 parts in 109. By comparing the results with three-body QED calculations, the antiproton-to-electron mass ratio was determined as 1836.1526736(23.

  3. Mechanism of initiation of oxidation in mayonnaise enriched with fish oil as studied by electron spin resonance spectroscopy

    DEFF Research Database (Denmark)

    Thomsen, M.K.; Jacobsen, Charlotte; Skibsted, L.H.

    2000-01-01

    Electron spin resonance spectroscopy (spin trapping technique) has been used to identify the most important single factor for initiation of lipid oxidation in mayonnaise enriched with fish oil. Low pH increases the formation of radicals during incubation under mildly accelerated conditions at 37...

  4. Charge deep-level transient spectroscopy study of high-energy-electron-beam-irradiated hydrogenated amorphous silicon

    NARCIS (Netherlands)

    Klaver, A.; Nádaždy, V.; Zeman, M.; Swaaiij, R.A.C.M.M.

    2006-01-01

    We present a study of changes in the defect density of states in hydrogenated amorphous silicon (a-Si:H) due to high-energy electron irradiation using charged deep-level transient spectroscopy. It was found that defect states near the conduction band were removed, while in other band gap regions the

  5. Broadband 2D Electronic Spectroscopy Reveals Coupling Between Dark 1Bu- State of Carotenoid and Qx State of Bacteriochlorophyll

    Directory of Open Access Journals (Sweden)

    Scholes Gregory D.

    2013-03-01

    Full Text Available The study of LH2 protein of purple bacteria by broadband 2D electronic spectroscopy is presented. The dark 1Bu- carotenoid state is directly observed in 2D spectra and its role in carotenoid-bacteriochlorophyll interaction is discussed.

  6. Characterization of Al2O3-Supported Manganese Oxides by Electron Spin Resonance and Diffuse Reflectance Spectroscopy

    NARCIS (Netherlands)

    Kijlstra, W.S.; Poels, E.K.; Bliek, A.; Weckhuysen, B.M.; Schoonheydt, R.A.

    2001-01-01

    Alumina-supported manganese oxides, used as catalysts for the selective catalytic reduction of NO, were characterized by combined electron spin resonance and diffuse reflectance spectroscopies. Upon impregnation of the acetate precursor solution, the [Mn(H2O)6]^2+ complex interacts strongly with sur

  7. Comparing the photophysics of the two forms of the Orange Carotenoid Protein using 2D electronic spectroscopy

    Directory of Open Access Journals (Sweden)

    Mathies R.A.

    2013-03-01

    Full Text Available Broadband two-dimensional electronic spectroscopy is applied to investigate the photophysics of the photoactive orange carotenoid protein, which is involved in nonphotochemical quenching in cyanobacteria. Differences in dynamics between the light and dark forms arise from the different structure of the carotenoid in the protein pocket, with consequences for the biological role of the two forms.

  8. Electronic structure of Fe2P(10 1 bar 0) studied by soft X-ray photoelectron spectroscopy and X-ray absorption spectroscopy

    Science.gov (United States)

    Sugizaki, Y.; Motoyama, H.; Edamoto, K.; Ozawa, K.

    2017-10-01

    The electronic structure of Fe2P(10 1 bar 0) has been investigated by photoelectron spectroscopy (PES) and X-ray absorption spectroscopy (XAS). The surface prepared by cycles of Ar+ ion sputtering and annealing at 500-800 °C showed a c(2 × 2) low-energy electron diffraction (LEED) pattern. An Fe 3d-P 3p hybrid band (main band) and a satellite were observed at 0-4 eV and 5-8 eV, respectively, in PES spectra of c(2 × 2) Fe2P(10 1 bar 0). The main band showed a clear cut-off at the Fermi edge, indicating the metallic nature of Fe2P. The satellite intensity showed a resonant maximum around the Fe 3p threshold, suggesting that the satellite is caused through a shake-up process. Three types of surface-shifted components were found in P 2p PES spectra. All the P 2p peaks have symmetric line shapes, while the Fe 2p PES and Fe L-edge XAS spectra have asymmetric line shapes, suggesting that the electronic states around the Fermi level are mostly composed of Fe 3d components. These results suggest that the stabilization of the electronic structure at metal sites through the bonding with P atoms is ineffective on Fe2P(10 1 bar 0), as in the case of Fe2P(0001).

  9. Electronic structure of aromatic amino acids studied by soft x-ray spectroscopy

    Science.gov (United States)

    Zhang, Wenhua; Carravetta, Vincenzo; Plekan, Oksana; Feyer, Vitaliy; Richter, Robert; Coreno, Marcello; Prince, Kevin C.

    2009-07-01

    The electronic structure of phenylalanine, tyrosine, tryptophan, and 3-methylindole in the gas phase was investigated by x-ray photoemission spectroscopy (XPS) and near edge x-ray absorption fine structure (NEXAFS) spectroscopy at the C, N, and O K-edges. The XPS spectra have been calculated for the four principal conformers of each amino acid, and the spectra weighted by the Boltzmann population ratios calculated from published free energies. Instead of the single peaks expected from the stoichiometry of the compounds, the N 1s core level spectra of phenylalanine and tryptophan show features indicating that more than one conformer is present. The calculations reproduce the experimental features. The C and O 1s spectra do not show evident effects due to conformational isomerism. The calculations predict that such effects are small for carbon, and for oxygen it appears that only broadening occurs. The carbon K-edge NEXAFS spectra of these aromatic amino acids are similar to the published data of the corresponding molecules in the solid state, but show more structure due to the higher resolution in the present study. The N K-edge spectra of tryptophan and 3-methylindole differ from phenylalanine and tyrosine, as the first two both contain a nitrogen atom located in a pyrrole ring. The nitrogen K-edge NEXAFS spectra of aromatic amino acids do not show any measurable effects due to conformational isomerism, in contrast to the photoemission results. Calculations support this result and show that variations of the vertical excitation energies of different conformers are small, and cannot be resolved in the present experiment. The O NEXAFS spectra of these three aromatic compounds are very similar to other, simpler amino acids, which have been studied previously.

  10. Soft X-ray Spectroscopy Study of the Electronic Structure of Oxidized and Partially Oxidized Magnetite Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Gilbert, Benjamin; Katz, Jordan E.; Denlinger, Jonathan D.; Yin, Yadong; Falcone, Roger; Waychunas, Glenn A.

    2010-10-24

    The crystal structure of magnetite nanoparticles may be transformed to maghemite by complete oxidation, but under many relevant conditions the oxidation is partial, creating a mixed-valence material with structural and electronic properties that are poorly characterized. We used X-ray diffraction, Fe K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, and soft X-ray absorption and emission spectroscopy to characterize the products of oxidizing uncoated and oleic acid-coated magnetite nanoparticles in air. The oxidization of uncoated magnetite nanoparticles creates a material that is structurally and electronically indistinguishable from maghemite. By contrast, while oxidized oleic acid-coated nanoparticles are also structurally indistinguishable from maghemite, Fe L-edge spectroscopy revealed the presence of interior reduced iron sites even after a 2-year period. We used X-ray emission spectroscopy at the O K-edge to study the valence bands (VB) of the iron oxide nanoparticles, using resonant excitation to remove the contributions from oxygen atoms in the ligands and from low-energy excitations that obscured the VB edge. The bonding in all nanoparticles was typical of maghemite, with no detectable VB states introduced by the long-lived, reduced-iron sites in the oleic acid-coated sample. However, O K-edge absorption spectroscopy observed a 0.2 eV shift in the position of the lowest unoccupied states in the coated sample, indicating an increase in the semiconductor band gap relative to bulk stoichiometric maghemite that was also observed by optical absorption spectroscopy. The results show that the ferrous iron sites within ferric iron oxide nanoparticles coated by an organic ligand can persist under ambient conditions with no evidence of a distinct interior phase and can exert an effect on the global electronic and optical properties of the material. This phenomenon resembles the band gap enlargement caused by electron accumulation in the

  11. Elucidating the design principles of photosynthetic electron-transfer proteins by site-directed spin labeling EPR spectroscopy.

    Science.gov (United States)

    Ishara Silva, K; Jagannathan, Bharat; Golbeck, John H; Lakshmi, K V

    2016-05-01

    Site-directed spin labeling electron paramagnetic resonance (SDSL EPR) spectroscopy is a powerful tool to determine solvent accessibility, side-chain dynamics, and inter-spin distances at specific sites in biological macromolecules. This information provides important insights into the structure and dynamics of both natural and designed proteins and protein complexes. Here, we discuss the application of SDSL EPR spectroscopy in probing the charge-transfer cofactors in photosynthetic reaction centers (RC) such as photosystem I (PSI) and the bacterial reaction center (bRC). Photosynthetic RCs are large multi-subunit proteins (molecular weight≥300 kDa) that perform light-driven charge transfer reactions in photosynthesis. These reactions are carried out by cofactors that are paramagnetic in one of their oxidation states. This renders the RCs unsuitable for conventional nuclear magnetic resonance spectroscopy investigations. However, the presence of native paramagnetic centers and the ability to covalently attach site-directed spin labels in RCs makes them ideally suited for the application of SDSL EPR spectroscopy. The paramagnetic centers serve as probes of conformational changes, dynamics of subunit assembly, and the relative motion of cofactors and peptide subunits. In this review, we describe novel applications of SDSL EPR spectroscopy for elucidating the effects of local structure and dynamics on the electron-transfer cofactors of photosynthetic RCs. Because SDSL EPR Spectroscopy is uniquely suited to provide dynamic information on protein motion, it is a particularly useful method in the engineering and analysis of designed electron transfer proteins and protein networks. This article is part of a Special Issue entitled Biodesign for Bioenergetics--the design and engineering of electronic transfer cofactors, proteins and protein networks, edited by Ronald L. Koder and J.L. Ross Anderson. Copyright © 2016. Published by Elsevier B.V.

  12. Measurement of Electron Density Using the Multipole Resonance Probe, Langmuir Probe and Optical Emission Spectroscopy in Low Pressure Plasmas with Different Electron Energy Distribution Functions

    Science.gov (United States)

    Oberberg, Moritz; Bibinov, Nikita; Ries, Stefan; Awakowicz, Peter; Institute of Electrical Engineering; Plasma Technology Team

    2016-09-01

    In recently publication, the young diagnostic tool Multipole Resonance Probe (MRP) for electron density measurements was introduced. It is based on active plasma resonance spectroscopy (APRS). The probe was simulated und evaluated for different devices. The geometrical and electrical symmetry simplifies the APRS model, so that the electron density can be easily calculated from the measured resonance. In this work, low pressure nitrogen mixture plasmas with different electron energy distribution functions (EEDF) are investigated. The results of the MRP measurement are compared with measurements of a Langmuir Probe (LP) and Optical Emission Spectroscopy (OES). Probes and OES measure in different regimes of kinetic electron energy. Both probes measure electrons with low kinetic energy (<10 eV), whereas the OES is influenced by electrons with high kinetic energy which are needed for transitions of molecule bands. By the determination of the absolute intensity of N2(C-B) and N2+(B-X)electron temperature and density can be calculated. In a non-maxwellian plasma, all plasma diagnostics need to be combined.

  13. Spectroscopie du Furanne et du Thiophene Par Diffusion Inelastique D'electrons

    Science.gov (United States)

    Lotfi, Said

    Nous avons etudie les molecules de furanne ( rm C_4H_4O) et de thiophene (rm C_4H_4O) au moyen de la spectroscopie de diffusion inelastique d'electrons. Pour (rm C_4H_4O), les spectres realises dans differentes conditions d'energie d'impact et d'angle de diffusion contiennent des singularites ou des families de pics correspondant a: (1) des vibrations de l'etat fondamental dans le domaine 0-0.5 eV, (2) des etats triplets ^3 B_1 et ^3 A_1 qui dominent la region 3-5.5 eV, (3) des etats de valences, entre 5 et 10 eV, dont certains son accompagnes de progressions vibrationnelles, soit ~ A _1B_2, ~ B ^1A_1 et ~ C ^1A_1, (4) toujours entre 5 et 10 eV, deux series de Ryhdberg (rm 1a_2to nda_2 et rm 1a_2to npb_2) qui convergent vers la premiere limite d'ionisation de la molecule, avec une progression vibrationnelle associee au mdoe nu_4 pour la seconde, et une troisieme serie (rm 2b_1to nsa_1 ) convergent vers la seconde limite d'ionisation accompagnee de la progression de mode nu _1. Pour rm C_4H_4S, nos spectres presentent les memes etats de vibration et les memes etats triplets que pour rm C_4H _4O. Nous avons releve egalement, dans la region de 5 a 10 eV, des etats de valence ~ A ^1A_1 (ou ~ A ^1B_2), ~ B ^1A_1 (ou ~ B ^1B _2) et ~ C ^1A_1 (ou ~ C ^1B_2). Pour la premiere fois, par la spectroscopie de diffusion inelastique d'electrons, de nombreux pics ont ete identifies et attribues, dans le cadre de ce travail. Il s'agit, notamment, des etats de vibration de l'etat electronique fondamental de ces molecules et egalement de certains etats de Rydberg dans le cas du furanne.

  14. Thermal conversion of electronic and electrical properties of AuCl3-doped single-walled carbon nanotubes.

    Science.gov (United States)

    Yoon, Seon-Mi; Kim, Un Jeong; Benayad, Anass; Lee, Il Ha; Son, Hyungbin; Shin, Hyeon-Jin; Choi, Won Mook; Lee, Young Hee; Jin, Yong Wan; Lee, Eun-Hong; Lee, Sang Yoon; Choi, Jae-Young; Kim, Jong Min

    2011-02-22

    By using carbon-free inorganic atomic layer involving heat treatment from 150 to 300 °C, environmentally stable and permanent modulation of the electronic and electrical properties of single-walled carbon nanotubes (SWCNTs) from p-type to ambi-polar and possibly to n-type has been demonstrated. At low heat treatment temperature, a strong p-doping effect from Au(3+) ions to CNTs due to a large difference in reduction potential between them is dominant. However at higher temperature, the gold species are thermally reduced, and thermally induced CNT-Cl finally occurs by the decomposition reaction of AuCl(3). Thus, in the AuCl(3)-doped SWCNTs treated at higher temperature, the p-type doping effect is suppressed and an n-type property from CNT-Cl is thermally induced. Thermal conversion of the majority carrier type of AuCl(3)-doped SWNTs is systematically investigated by combining various optical and electrical tools.

  15. Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy.

    Science.gov (United States)

    McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S; Reimers, Jeffrey R

    2015-10-14

    Entanglement is sometimes regarded as the quintessential measure of the quantum nature of a system and its significance for the understanding of coupled electronic and vibrational motions in molecules has been conjectured. Previously, we considered the entanglement developed in a spatially localized diabatic basis representation of the electronic states, considering design rules for qubits in a low-temperature chemical quantum computer. We extend this to consider the entanglement developed during high-energy processes. We also consider the entanglement developed using adiabatic electronic basis, providing a novel way for interpreting effects of the breakdown of the Born-Oppenheimer (BO) approximation. We consider: (i) BO entanglement in the ground-state wavefunction relevant to equilibrium thermodynamics, (ii) BO entanglement associated with low-energy wavefunctions relevant to infrared and tunneling spectroscopies, (iii) BO entanglement in high-energy eigenfunctions relevant to chemical reaction processes, and (iv) BO entanglement developed during reactive wavepacket dynamics. A two-state single-mode diabatic model descriptive of a wide range of chemical phenomena is used for this purpose. The entanglement developed by BO breakdown correlates simply with the diameter of the cusp introduced by the BO approximation, and a hierarchy appears between the various BO-breakdown correction terms, with the first-derivative correction being more important than the second-derivative correction which is more important than the diagonal correction. This simplicity is in contrast to the complexity of BO-breakdown effects on thermodynamic, spectroscopic, and kinetic properties. Further, processes poorly treated at the BO level that appear adequately treated using the Born-Huang adiabatic approximation are found to have properties that can only be described using a non-adiabatic description. For the entanglement developed between diabatic electronic states and the nuclear motion

  16. Low-lying singlet states of carotenoids having 8-13 conjugated double bonds as determined by electronic absorption spectroscopy

    Science.gov (United States)

    Wang, Peng; Nakamura, Ryosuke; Kanematsu, Yasuo; Koyama, Yasushi; Nagae, Hiroyoshi; Nishio, Tomohiro; Hashimoto, Hideki; Zhang, Jian-Ping

    2005-07-01

    Electronic absorption spectra were recorded at room temperature in solutions of carotenoids having different numbers of conjugated double bonds, n = 8-13, including a spheroidene derivatives, neurosporene, spheroidene, lycopene, anhydrorhodovibrin and spirilloxanthin. The vibronic states of 1Bu+(v=0-4), 2Ag-(v=0-3), 3Ag- (0) and 1Bu- (0) were clearly identified. The arrangement of the four electronic states determined by electronic absorption spectroscopy was identical to that determined by measurement of resonance Raman excitation profiles [K. Furuichi et al., Chem. Phys. Lett. 356 (2002) 547] for carotenoids in crystals.

  17. Discretization of Electronic States in Large InAsP/InP Multilevel Quantum Dots Probed by Scanning Tunneling Spectroscopy

    Science.gov (United States)

    Fain, B.; Robert-Philip, I.; Beveratos, A.; David, C.; Wang, Z. Z.; Sagnes, I.; Girard, J. C.

    2012-03-01

    The topography and the electronic structure of InAsP/InP quantum dots are probed by cross-sectional scanning tunneling microscopy and spectroscopy. The study of the local density of states in such large quantum dots confirms the discrete nature of the electronic levels whose wave functions are measured by differential conductivity mapping. Because of their large dimensions, the energy separation between the discrete electronic levels is low, allowing for quantization in both the lateral and growth directions as well as the observation of the harmonicity of the dot lateral potential.

  18. Molecular orbital imaging of the acetone S2 excited state using time-resolved (e, 2e) electron momentum spectroscopy.

    Science.gov (United States)

    Yamazaki, Masakazu; Oishi, Keiya; Nakazawa, Hiroyuki; Zhu, Chaoyuan; Takahashi, Masahiko

    2015-03-13

    We report a time-resolved (e, 2e) experiment on the deuterated acetone molecule in the S2 Rydberg state with a lifetime of 13.5 ps. The acetone S2 state was prepared by a 195 nm pump laser and probed with electron momentum spectroscopy using a 1.2 keV incident electron beam of 1 ps temporal width. In spite of the low data statistics as well as of the limited time resolution (±35  ps) due to velocity mismatch, the experimental results clearly demonstrate that electron momentum spectroscopy measurements of short-lived transient species are feasible, opening the door to time-resolved orbital imaging in momentum space.

  19. Discrimination of Apple Liqueurs (Nalewka Using a Voltammetric Electronic Tongue, UV-Vis and Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Magdalena Śliwińska

    2016-10-01

    Full Text Available The capability of a phthalocyanine-based voltammetric electronic tongue to analyze strong alcoholic beverages has been evaluated and compared with the performance of spectroscopic techniques coupled to chemometrics. Nalewka Polish liqueurs prepared from five apple varieties have been used as a model of strong liqueurs. Principal Component Analysis has demonstrated that the best discrimination between liqueurs prepared from different apple varieties is achieved using the e-tongue and UV-Vis spectroscopy. Raman spectra coupled to chemometrics have not been efficient in discriminating liqueurs. The calculated Euclidean distances and the k-Nearest Neighbors algorithm (kNN confirmed these results. The main advantage of the e-tongue is that, using PLS-1, good correlations have been found simultaneously with the phenolic content measured by the Folin–Ciocalteu method (R2 of 0.97 in calibration and R2 of 0.93 in validation and also with the density, a marker of the alcoholic content method (R2 of 0.93 in calibration and R2 of 0.88 in validation. UV-Vis coupled with chemometrics has shown good correlations only with the phenolic content (R2 of 0.99 in calibration and R2 of 0.99 in validation but correlations with the alcoholic content were low. Raman coupled with chemometrics has shown good correlations only with density (R2 of 0.96 in calibration and R2 of 0.85 in validation. In summary, from the three holistic methods evaluated to analyze strong alcoholic liqueurs, the voltammetric electronic tongue using phthalocyanines as sensing elements is superior to Raman or UV-Vis techniques because it shows an excellent discrimination capability and remarkable correlations with both antioxidant capacity and alcoholic content—the most important parameters to be measured in this type of liqueurs.

  20. Efficiency of different spectroscopies and the Electronic Nose techniques for the characterization of milk

    Directory of Open Access Journals (Sweden)

    B. M. Moioli

    2010-04-01

    Full Text Available Four rapid methods, which are complementary to the usual MIR-based analyses, were compared in order to characterize local milk products. A set of 278 fresh samples from four separately reared Jersey, Piemontese and Valdostana cattle and Saanen goat herds was analyzed by: Fluorescence Spectroscopy, Electronic Nose, UV-Vis- NIRS and FT-NIRS (total 5851 digits by record. The Gross Composition and Fatty Acid composition were determined at the same time. Chemometric analysis of the digital measurements and of the milk composition was performed by discriminant PLS regression over the four herds. The average R2 cross-validated values of the six discriminant contrasts were lower for the Gross Composition (0.47, very high for the FT-NIRS scans (0.97, for the Fatty Acids (0.96, and also high for the Fluorescence (0.90 and the UV-Vis-NIRS evaluation (0.89, while the Electronic Nose gave lower distinction between the groups (0.64. The patterns based on the distance matrix showed a remarkable complementarity between the Gross Composition evaluation and the rapid methods, which were close to the Fatty Acids evaluation. The FT-NIRS and Fluorescence analyses converged together, clustering the Jersey & Piemontese, the Valdostana and then the Goat milk. The Jersey-Piemontese cluster was also confirmed by EN. The UV-Vis-NIRS appraisal, distinguished the Piemontese milk more clearly, while it paired the Jersey and Valdostana milk. These rapid methods could be of great interest in the milk research.

  1. Multisectional linear ion trap and novel loading method for optical spectroscopy of electron and nuclear transitions.

    Science.gov (United States)

    Sysoev, Alexey A; Troyan, Victor I; Borisyuk, Peter V; Krasavin, Andrey V; Vasiliev, Oleg S; Palchikov, Vitaly G; Avdeev, Ivan A; Chernyshev, Denis M; Poteshin, Sergey S

    2015-01-01

    There is a growing need for the development of atomic and nuclear frequency standards because of the important contribution of methods for precision time and frequency measurements to the development of fundamental science, technology, and the economy. It is also conditioned by their potential use in optical clocks and quantum logic applications. It is especially important to develop a universal method that could allow one to use ions of most elements effectively (including ones that are not easily evaporated) proposed for the above-mentioned applications. A linear quadrupole ion trap for the optical spectroscopy of electron and nuclear transitions has been developed and evaluated experimentally. An ion source construction is based on an ultra-high vacuum evaporator in which a metal sample is subjected to an electron beam of energy up to 1 keV, resulting in the appearance of gaseous atoms and ions of various charge state. The linear ion trap consists of five successive quadrupole sections including an entrance quadrupole section, quadrupole mass filter, quadrupole ion guide, ion-trap section, and exit quadrupole section. The same radiofrequency but a different direct current voltage feeds the quadrupole sections. The instrument allows the mass and energy selected trapping of ions from ion beams of various intensities and their localization in the area of laser irradiation. The preliminary results presented show that the proposed instrument and methods allow one to produce effectively up to triply charged thorium ions as well as to trap ions for future spectroscopic study. The instrument is proposed for future use in optical clocks and quantum logic application development.

  2. Discrimination of Apple Liqueurs (Nalewka) Using a Voltammetric Electronic Tongue, UV-Vis and Raman Spectroscopy.

    Science.gov (United States)

    Śliwińska, Magdalena; Garcia-Hernandez, Celia; Kościński, Mikołaj; Dymerski, Tomasz; Wardencki, Waldemar; Namieśnik, Jacek; Śliwińska-Bartkowiak, Małgorzata; Jurga, Stefan; Garcia-Cabezon, Cristina; Rodriguez-Mendez, Maria Luz

    2016-10-09

    The capability of a phthalocyanine-based voltammetric electronic tongue to analyze strong alcoholic beverages has been evaluated and compared with the performance of spectroscopic techniques coupled to chemometrics. Nalewka Polish liqueurs prepared from five apple varieties have been used as a model of strong liqueurs. Principal Component Analysis has demonstrated that the best discrimination between liqueurs prepared from different apple varieties is achieved using the e-tongue and UV-Vis spectroscopy. Raman spectra coupled to chemometrics have not been efficient in discriminating liqueurs. The calculated Euclidean distances and the k-Nearest Neighbors algorithm (kNN) confirmed these results. The main advantage of the e-tongue is that, using PLS-1, good correlations have been found simultaneously with the phenolic content measured by the Folin-Ciocalteu method (R² of 0.97 in calibration and R² of 0.93 in validation) and also with the density, a marker of the alcoholic content method (R² of 0.93 in calibration and R² of 0.88 in validation). UV-Vis coupled with chemometrics has shown good correlations only with the phenolic content (R² of 0.99 in calibration and R² of 0.99 in validation) but correlations with the alcoholic content were low. Raman coupled with chemometrics has shown good correlations only with density (R² of 0.96 in calibration and R² of 0.85 in validation). In summary, from the three holistic methods evaluated to analyze strong alcoholic liqueurs, the voltammetric electronic tongue using phthalocyanines as sensing elements is superior to Raman or UV-Vis techniques because it shows an excellent discrimination capability and remarkable correlations with both antioxidant capacity and alcoholic content-the most important parameters to be measured in this type of liqueurs.

  3. A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO-

    Science.gov (United States)

    Roy, Soumendra K.; Jian, Tian; Lopez, Gary V.; Li, Wei-Li; Su, Jing; Bross, David H.; Peterson, Kirk A.; Wang, Lai-Sheng; Li, Jun

    2016-02-01

    The observation of the gaseous UFO- anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO- is linear with an O-U-F structure and a 3H4 spectral term derived from a U 7sσ25fφ15fδ1 electron configuration, whereas the ground state of neutral UFO has a 4H7/2 spectral term with a U 7sσ15fφ15fδ1 electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

  4. Applications of Optical Spectroscopy in Studies on Energy & Electron Transfer and Solvation Effects in Nanoscale and Molecular Systems

    Science.gov (United States)

    Oh, Megan H. J.

    This thesis describes three investigations, ranging in subject matters, all of which relating to systems capable of photoinduced reactions involving energy or electron transfer. The phenomenon and the effects of environment in the various systems are explored using different methodologies of optical spectroscopy. As the chapters progress, different investigations introduce and build on fundamental concepts encountered and in complexity of the methodologies used to explore the systems. The first chapter introduces the preparation of water-soluble CdSe nanocrystal clusters. The clusters, created using a protein, are 3-D close-packed self-assemblies of nanocrystals. Due to this close-packed nature, electronic interactions between the nanocrystals allow for energy migration within the cluster. The structural and optical properties of the clusters were described. Then using steady-state spectroscopy, properties of the original nanocrystals were compared to that of the cluster to determine the consequence of nanocrystal coupling interactions and their potential use toward the development of artificial light-harvesting systems. In the second chapter, CdSe nanocrystals are functionalized with a unique electro-active polymer, and the electron transfer between the nanocrystal and the electro-active polymer adsorbate is investigated. Using fluorescence decay measurements, the electron transfer reaction inherent to the system with respect to a comprehensive range of dielectric solvents was explored. The study illustrates the high complexity of seemingly typical nanocrystal-based systems and provides general awareness of what factors need to be considered when dealing with such systems. The final chapter starts with an informal review of ultrafast nonlinear spectroscopy, focusing on two methods, three-pulse photon echo peak shift (3PEPS) and two-dimensional photon echo (2DPE) electronic spectroscopy, and how they are related. A straightforward approach for extracting 3PEPS data

  5. One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effects.

    Science.gov (United States)

    Gräfenstein, Jürgen; Cremer, Dieter

    2004-12-22

    For the first time, the nuclear magnetic resonance (NMR) spin-spin coupling mechanism is decomposed into one-electron and electron-electron interaction contributions to demonstrate that spin-information transport between different orbitals is not exclusively an electron-exchange phenomenon. This is done using coupled perturbed density-functional theory in conjunction with the recently developed J-OC-PSP [=J-OC-OC-PSP: Decomposition of J into orbital contributions using orbital currents and partial spin polarization)] method. One-orbital contributions comprise Ramsey response and self-exchange effects and the two-orbital contributions describe first-order delocalization and steric exchange. The two-orbital effects can be characterized as external orbital, echo, and spin transport contributions. A relationship of these electronic effects to zeroth-order orbital theory is demonstrated and their sign and magnitude predicted using simple models and graphical representations of first order orbitals. In the case of methane the two NMR spin-spin coupling constants result from totally different Fermi contact coupling mechanisms. (1)J(C,H) is the result of the Ramsey response and the self-exchange of the bond orbital diminished by external first-order delocalization external one-orbital effects whereas (2)J(H,H) spin-spin coupling is almost exclusively mitigated by a two-orbital steric exchange effect. From this analysis, a series of prediction can be made how geometrical deformations, electron lone pairs, and substituent effects lead to a change in the values of (1)J(C,H) and (2)J(H,H), respectively, for hydrocarbons.

  6. Disulfide-Linked Dinitroxides for Monitoring Cellular Thiol Redox Status through Electron Paramagnetic Resonance Spectroscopy.

    Science.gov (United States)

    Legenzov, Eric A; Sims, Stephen J; Dirda, Nathaniel D A; Rosen, Gerald M; Kao, Joseph P Y

    2015-12-01

    Intracellular thiol-disulfide redox balance is crucial to cell health, and may be a key determinant of a cancer's response to chemotherapy and radiation therapy. The ability to assess intracellular thiol-disulfide balance may thus be useful not only in predicting responsiveness of cancers to therapy, but in assessing predisposition to disease. Assays of thiols in biology have relied on colorimetry or fluorimetry, both of which require UV-visible photons, which do not penetrate the body. Low-frequency electron paramagnetic resonance imaging (EPRI) is an emerging magnetic imaging technique that uses radio waves, which penetrate the body well. Therefore, in combination with tailored imaging agents, EPRI affords the opportunity to image physiology within the body. In this study, we have prepared water-soluble and membrane-permeant disulfide-linked dinitroxides, at natural isotopic abundance, and with D,(15)N-substitution. Thiols such as glutathione cleave the disulfides, with simple bimolecular kinetics, to yield the monomeric nitroxide species, with distinctive changes in the EPR spectrum. Using the D,(15)N-substituted disulfide-dinitroxide and EPR spectroscopy, we have obtained quantitative estimates of accessible intracellular thiol in cultured human lymphocytes. Our estimates are in good agreement with published measurements. This suggests that in vivo EPRI of thiol-disulfide balance is feasible. Finally, we discuss the constraints on the design of probe molecules that would be useful for in vivo EPRI of thiol redox status.

  7. Chasing Nonexistent Compounds with Lasers: Electronic Spectroscopy of Main Group Transient Molecules, Free Radicals, and Ions

    Science.gov (United States)

    Clouthier, Dennis J.

    2011-06-01

    One of the important contributions of the science of high resolution molecular spectroscopy has been the identification and characterization of new molecules in the gas phase, whether they exist in the laboratory, in extreme terrestrial environments, or in outer space. Despite the innovative efforts of many dedicated spectroscopists, one can still easily visualize a large number of novel small molecules that remain to be discovered and investigated. In this talk I will review the efforts of our group in recent years to study the electronic spectra of some new, and some not so new but still challenging species, concentrating primarily on those that are made up of main group elements. The target molecules have been produced in a pulsed electric discharge at the exit of a supersonic jet, often using novel precursors which we have had to synthesize in the laboratory. Conventional laser-induced fluorescence as well as wavelength resolved emission, stimulated emission pumping, fluorescence depletion and LIF sync-scan techniques have been used to detect the species of interest. Examples of diatomic and polyatomic transient molecules, free radicals, and ions that we have recently explored will be discussed.

  8. Quasinormal mode theory and modelling of electron energy loss spectroscopy for plasmonic nanostructures

    Science.gov (United States)

    Ge, Rong-Chun; Hughes, Stephen

    2016-05-01

    Understanding light-matter interactions using localized surface plasmons (LSPs) is of fundamental interest in classical and quantum plasmonics and has a wide range of applications. In order to understand the spatial properties of LSPs, electron energy loss spectroscopy (EELS) is a common and powerful method of spatially resolving the extreme localized fields that can be obtained with metal resonators. However, modelling EELS for general shaped resonators presents a major challenge in computational electrodynamics, requiring the full photon Green function as a function of two space points and frequency. Here we present an intuitive and computationally simple method for computing EELS maps of plasmonic resonators using a quasinormal mode (QNM) expansion technique. By separating the contribution of the QNM and the bulk material, we give closed-form analytical formulas for the plasmonic QNM contribution to the EELS maps. We exemplify our technique for a split ring resonator, a gold nanorod, and a nanorod dimer structure. The method is accurate, intuitive, and gives orders of magnitude improvements over direct dipole simulations that numerically solve the full 3D Maxwell equations. We also show how the same QNM Green function can be used to obtain the Purcell factor (and projected local density of optical states) from quantum dipole emitters or two level atoms, and we demonstrate how the spectral features differ in general to the EELS spectrum.

  9. Photoelectron spectroscopy study of the electronic structures at CoPc/Bi(111) interface

    Science.gov (United States)

    Sun, Haoliang; Liang, Zhaofeng; Shen, Kongchao; Hu, Jinbang; Ji, Gengwu; Li, Zheshen; Li, Haiyang; Zhu, Zhiyuan; Li, Jiong; Gao, Xingyu; Han, Huang; Jiang, Zheng; Song, Fei

    2017-07-01

    Self-assembly of functional molecules on solid substrate has been recognized as an appealing approach for the fabrication of diverse nanostructures for nanoelectronics. Herein, we investigate the growth of cobalt phthalocyanine (CoPc) on a Bi(111) surface with focus on the interface electronic structures utilizing photoelectron spectroscopy. While charge transfer from bismuth substrate to the molecule results in the emergence of an interface component in the Co 3p core level at lower binding energy, core-levels associated to the molecular ligand (C 1s and N 1s) are less influenced by the adsorption. In addition, density functional theory (DFT) calculations also support the empirical inference that the molecule-substrate interaction mainly involves the out-of-plane empty Co 3d orbital and bismuth states. Finally, valence band spectra demonstrate the molecule-substrate interaction is induced by interface charge transfer, agreeing well with core level measurements. Charge transfer is shown to be mainly from the underlying bismuth substrate to the empty states located at the central Co atom in the CoPc molecules. This report may provide a fundamental basis to the on-surface engineering of interfaces for molecular devices and spintronics.

  10. Spatially resolved electron energy loss spectroscopy of crescent-shaped plasmonic antennas.

    Science.gov (United States)

    Křápek, V; Koh, A L; Břínek, L; Hrtoň, M; Tomanec, O; Kalousek, R; Maier, S A; Šikola, T

    2015-05-01

    We present a study of the optical properties of gold crescent-shaped antennas by means of electron energy loss spectroscopy. These structures exhibit particularly large field enhancement near their sharp features, support two non-degenerate dipolar (i.e., optically active) localised surface plasmon resonances, and are widely tunable by a choice of their shape and dimensions. Depending on the volume and shape, we resolved up to four plasmon resonances in metallic structures under study in the energy range of 0.8 - 2.4 eV: two dipolar and quadrupolar mode and a multimodal assembly. The boundary-element-method calculations reproduced the observed spectra and helped to identify the character of the resonances. The two lowest modes are of particular importance owing to their dipolar nature. Remarkably, they are both concentrated near the tips of the crescent, spectrally well resolved and their energies can be tuned between 0.8 - 1.5 eV and 1.2 - 2.0 eV, respectively. As the lower spectral range covers the telecommunication wavelengths 1.30 and 1.55 μm, we envisage the possible use of such nanostructures in infrared communication technology.

  11. Dark States in the Light-Harvesting complex 2 Revealed by Two-dimensional Electronic Spectroscopy

    Science.gov (United States)

    Ferretti, Marco; Hendrikx, Ruud; Romero, Elisabet; Southall, June; Cogdell, Richard J.; Novoderezhkin, Vladimir I.; Scholes, Gregory D.; van Grondelle, Rienk

    2016-02-01

    Energy transfer and trapping in the light harvesting antennae of purple photosynthetic bacteria is an ultrafast process, which occurs with a quantum efficiency close to unity. However the mechanisms behind this process have not yet been fully understood. Recently it was proposed that low-lying energy dark states, such as charge transfer states and polaron pairs, play an important role in the dynamics and directionality of energy transfer. However, it is difficult to directly detect those states because of their small transition dipole moment and overlap with the B850/B870 exciton bands. Here we present a new experimental approach, which combines the selectivity of two-dimensional electronic spectroscopy with the availability of genetically modified light harvesting complexes, to reveal the presence of those dark states in both the genetically modified and the wild-type light harvesting 2 complexes of Rhodopseudomonas palustris. We suggest that Nature has used the unavoidable charge transfer processes that occur when LH pigments are concentrated to enhance and direct the flow of energy.

  12. Biomedical and agricultural applications of energy dispersive X-ray spectroscopy in electron microscopy.

    Science.gov (United States)

    Wyroba, Elżbieta; Suski, Szymon; Miller, Karolina; Bartosiewicz, Rafał

    2015-09-01

    Energy dispersive X-ray spectroscopy (EDS) in electron microscopy has been widely used in many research areas since it provides precise information on the chemical composition of subcellular structures that may be correlated with their high resolution images. In EDS the characteristic X-rays typical of each element are analyzed and the new detectors - an example of which we describe - allow for setting precisely the area of measurements and acquiring signals as a point analysis, as a linescan or in the image format of the desired area. Mapping of the elements requires stringent methods of sample preparation to prevent redistribution/loss of the elements as well as elimination of the risk of overlapping spectra. Both qualitative and quantitative analyses may be performed at a low probe current suitable for thin biological samples. Descriptions of preparation techniques, drawbacks and precautions necessary to obtain reliable results are provided, including data on standards, effects of specimen roughness and quantification. Data on EPMA application in different fields of biomedical and agricultural studies are reviewed. In this review we refer to recent EDS/EPMA applications in medical diagnostics, studies on air pollution and agrochemicals as well as on plant models used to monitor the environment.

  13. Fluorescence-detected two-dimensional electronic coherence spectroscopy by acousto-optic phase modulation.

    Science.gov (United States)

    Tekavec, Patrick F; Lott, Geoffrey A; Marcus, Andrew H

    2007-12-07

    Two-dimensional electronic coherence spectroscopy (ECS) is an important method to study the coupling between distinct optical modes of a material system. Such studies often involve excitation using a sequence of phased ultrashort laser pulses. In conventional approaches, the delays between pulse temporal envelopes must be precisely monitored or maintained. Here, we introduce a new experimental scheme for phase-selective nonlinear ECS, which combines acousto-optic phase modulation with ultrashort laser excitation to produce intensity modulated nonlinear fluorescence signals. We isolate specific nonlinear signal contributions by synchronous detection, with respect to appropriately constructed references. Our method effectively decouples the relative temporal phases from the pulse envelopes of a collinear train of four sequential pulses. We thus achieve a robust and high signal-to-noise scheme for phase-selective ECS to investigate the resonant nonlinear optical response of photoluminescent systems. We demonstrate the validity of our method using a model quantum three-level system-atomic Rb vapor. Moreover, we show how our measurements determine the resonant complex-valued third-order susceptibility.

  14. Photoelectron Spectroscopy of YbInCu{sub 4}: Direct Testing of Correlated Electron Models

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, J.J.; Arko, A.J.; Sarrao, J.L.; Fisk, Z.

    1997-12-31

    The electronic properties of single crystal YbInCu{sub 4} have been investigated by means of high resolution photoelectron spectroscopy. A first order, isostructural phase transition for YbInCu{sub 4} at T{sub v}=42 K leads to changes in the Kondo temperature of more than an order of magnitude (27 K vs. 400 K). This phase transition and accompanying Kondo temperature change provide the most direct test of the single impurity model (SIM) to date. Particle hole symmetry allows the SIM to be used for Yb compounds as well as Ce heavy fermions with the great advantage that the predicted Kondo resonance is found on the occupied side of the spectral weight function for Yb materials and is thus directly observable in photoemission. The photoemission results are incongruous with the single impurity model predictions for temperature dependence, binding energy and 4f occupancy, encouraging a reevaluation of the single impurity model. The experiments were conducted using the PGM undulator and 4 meter NIM beamlines at SRC. The spectra were taken at photon energies of 40 eV and 90 eV and the combined energy resolution of the analyzer and monochromator was 45- 85 meV.

  15. Characterization of organic thin films using transmission electron microscopy and Fourier Transform Infra Red spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bhansali, Unnat S.; Quevedo Lopez, M.A.; Jia Huiping; Alshareef, H.N.; Cha, Dong Kyu; Kim, M.J. [Department of Materials Science and Engineering, Erik Jonsson School of Engineering and Computer Science, University of Texas at Dallas, Richardson, Texas 75080 (United States); Gnade, Bruce E., E-mail: gnade@utdallas.ed [Department of Materials Science and Engineering, Erik Jonsson School of Engineering and Computer Science, University of Texas at Dallas, Richardson, Texas 75080 (United States)

    2009-08-31

    Organic Light Emitting Diodes (OLEDs) have received much attention for use in display and solid-state lighting applications. Consequently, evaluating materials analyses techniques to better understand potential issues between the different films constituting the OLED device structure becomes important. In particular, film thickness monitoring and control is essential for reproducible and reliable OLED performance. Typically, Quartz Crystal Microbalances (QCMs) are used to monitor the thicknesses in-situ. While QCMs can provide thickness information, they do not provide information about the composition or quality of the deposited films. To overcome these issues, in this paper, we have used Fourier Transform InfraRed Spectroscopy (FT-IR) to measure film thicknesses and compositions in individual as well as stacked organic layers relevant to OLED structures and used cross-sectional Transmission Electron Microscopy imaging to correlate the physical thickness of the organic films to their IR (infrared) absorption peak intensities from FT-IR. We demonstrate that this technique can be used to precisely measure film thicknesses within 5% of the nominal thickness and provide information about film composition.

  16. Electron-energy-loss spectroscopy on group-III nitrides and transition- metal oxides

    CERN Document Server

    Niessner, W

    2000-01-01

    A main topic represent electron-energy-loss spectroscopy (EELS) studies of the group-III nitrides AlN, GaN, InN, as well as their mixing systems Al sub x Ga sub 1 sub - sub x N, In sub x Ga sub 1 sub - sub x N. In EELS measurements with excitation energies above 1 keV clear collective excitations in AlN at 21 eV and in GaN at 15 eV were observed. In the mixing system Al sub x Ga sub 1 sub - sub x M a 2-mode behaviour is observed. Up to x=0.2 a GaN-like excitation remains preserved, while from x=0.44 the eigenfrequency of a AlN-like resonance shifts continuously. With vanadium dioxide a d sup 1 transition metal oxide was studied, which passes at 68 C a semiconductor-metal transition. In the EELS valence band spectra beside band transitions from the O2p subsigma and O2p subpi band an intense signal with a loss energy of 1 eV occurs. EELS studies on W- and F-doped VO sub 2 show, that it deals with a band transition from the V3d into the pd subpi band. EELS studies were for the first time also performed at lead t...

  17. Electron paramagnetic resonance (EPR) spectroscopy characterization of wheat grains from plants of different water stress tolerance.

    Science.gov (United States)

    Łabanowska, Maria; Filek, Maria; Kurdziel, Magdalena; Bednarska, Elżbieta; Dłubacz, Aleksandra; Hartikainen, Helina

    2012-09-01

    Grains of five genotypes of wheat (four Polish and one Finnish), differing in their tolerance to drought stress were chosen for this investigation. Electron paramagnetic resonance spectroscopy allowed observation of transition metal ions (Mn, Fe, Cu) and different types of stable radicals, including semiquinone centers, present in seed coats, as well as several types of carbohydrate radicals found mainly in the inner parts of grains. The content of paramagnetic metal centers was higher in sensitive genotypes (Radunia, Raweta) than in tolerant ones (Parabola, Nawra), whereas the Finnish genotype (Manu) exhibited intermediate amounts. Similarly, the concentrations of both types of radicals, carbohydrates and semiquinone were significantly higher in the grains originating from more sensitive wheat genotypes. The nature of carbohydrate radicals and their concentrations were confronted with the kinds and amounts of sugars found by the biochemical analyses and microscopy observations. It is suggested that some long lived radicals (semiquinone and starch radicals) occurring in grains could be indicators of stress resistance of wheat plants.

  18. Dark States in the Light-Harvesting complex 2 Revealed by Two-dimensional Electronic Spectroscopy.

    Science.gov (United States)

    Ferretti, Marco; Hendrikx, Ruud; Romero, Elisabet; Southall, June; Cogdell, Richard J; Novoderezhkin, Vladimir I; Scholes, Gregory D; van Grondelle, Rienk

    2016-02-09

    Energy transfer and trapping in the light harvesting antennae of purple photosynthetic bacteria is an ultrafast process, which occurs with a quantum efficiency close to unity. However the mechanisms behind this process have not yet been fully understood. Recently it was proposed that low-lying energy dark states, such as charge transfer states and polaron pairs, play an important role in the dynamics and directionality of energy transfer. However, it is difficult to directly detect those states because of their small transition dipole moment and overlap with the B850/B870 exciton bands. Here we present a new experimental approach, which combines the selectivity of two-dimensional electronic spectroscopy with the availability of genetically modified light harvesting complexes, to reveal the presence of those dark states in both the genetically modified and the wild-type light harvesting 2 complexes of Rhodopseudomonas palustris. We suggest that Nature has used the unavoidable charge transfer processes that occur when LH pigments are concentrated to enhance and direct the flow of energy.

  19. Mapping boron in silicon solar cells using electron energy-loss spectroscopy

    DEFF Research Database (Denmark)

    -doped layers. The typical boron concentration in the p-doped layer is ~10^21cm -3 and should not exceed 1017cm-3 in the neighbouring intrinsic (i) layer [1], where it acts as a charge recombination centre and decreases the internal electric field [2]. The detection of low boron concentrations with high spatial...... resolution using TEM is highly challenging [3]. Recently, scanning TEM (STEM) combined with electron energy-loss spectroscopy (EELS) and spherical aberration-correction has allowed the direct detection of dopant concentration of 10^20cm-3 in 65-nm-wide silicon devices [4]. Here, we prepare TEM samples...... by focused ion beam milling in order to map the boron distribution across a 200-nm-thick n-p amorphous silicon junction using energy-filtered TEM and EELS spectrum acquisition. EELS line scans are used to detect boron concentrations as low as 10^20cm-3. We also use monochromated EELS to measure changes...

  20. Surface characterization of ginger powder examined by X-ray photoelectron spectroscopy and scanning electron microscopy.

    Science.gov (United States)

    Zhao, Xiaoyan; Ao, Qiang; Du, Fangling; Zhu, Junqing; Liu, Jie

    2010-09-01

    The surface composition of five types of ginger powders with the particle sizes of 300, 149, 74, 37 and 8.34 microm was investigated by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and various types of physical-chemical characteristics regarding material particle size distributions, discoloration and chemical composition. The results show that the color differences are greater for superfine ground ginger than for conventional comminuted ones; the values of crude fibre, neutral detergent fiber (NDF) and acid detergent fiber (ADF) decrease with decreasing ginger particle size. However, no relationship with the surface fat, crude protein, ash and total solids exists. With superfine grinding the XPS O/C ratios of the five ginger powders were similar since the surfaces were not oxidized. Correlations were observed between the XPS N/C ratios and the high resolution XPS N 1s spectra. SEM observations revealed that the surface of ginger powder with a particle size of 300 microm is rougher, while superfine ground powders with particle sizes of 149, 74, 37 and 8.34 microm are similar to each other. This roughness difference between these surfaces correlates with the differences in their O/C ratios and the surface morphology of five ginger powders. Copyright 2010 Elsevier B.V. All rights reserved.