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Sample records for angle-resolved photoelectron spectroscopies

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

    Science.gov (United States)

    Popova-Gorelova, Daria; Küpper, Jochen; Santra, Robin

    2016-07-01

    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 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 indole molecular cation with coherent electron dynamics.

  2. 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...

  3. Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Fujimori, Shin-ichi

    2016-04-01

    Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ∼ 7~\\text{eV} ) or high-energy synchrotron radiations (hν ≳ 400~\\text{eV} ) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of \\text{Ce}M\\text{I}{{\\text{n}}5} (M=\\text{Rh} , \\text{Ir} , and \\text{Co} ) and \\text{YbR}{{\\text{h}}2}\\text{S}{{\\text{i}}2} with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant \\text{U}~5f compounds such as \\text{UFeG}{{\\text{a}}5} , their electronic structures can be well-described by the band-structure calculation assuming that all \\text{U}~5f electrons are itinerant. In contrast, the band structures of localized \\text{U}~5f compounds such as \\text{UP}{{\\text{d}}3} and \\text{U}{{\\text{O}}2} are essentially explained by the localized model that treats \\text{U}~5f electrons as localized core states. In regards to heavy fermion \\text{U} -based compounds such as the hidden-order compound \\text{UR}{{\\text{u}}2}\\text{S}{{\\text{i}}2} , their electronic structures exhibit complex behaviors. Their overall band structures

  4. Sidewall passivation layer thickness and composition profiles of etched silicon patterns from angle resolved x-ray photoelectron spectroscopy analysis

    Energy Technology Data Exchange (ETDEWEB)

    Haass, Moritz; Darnon, Maxime; Joubert, Olivier [CNRS/UJF-Grenoble1/CEA LTM, 17 avenue des Martyrs, 38054 Grenoble cedex 9 (France)

    2012-06-15

    In this study, we present a technique to analyze side wall passivation layers formed on silicon sidewalls after plasma processing. The thickness and chemical composition are derived from angle resolved x-ray photoelectron spectroscopy analyses. It is a non-destructive, quasi in situ method to determine profiles of the thickness and the chemical composition of passivation layers in trenches up to an aspect ratio of about 3. The performance of this technique to quantify the passivation layer thickness is compared to a standard technique using secondary electron microscopy images with respect to two different samples and is found to be at least equivalent. The possible uncertainties and limitations of this technique are discussed as well.

  5. Dual analyzer system for surface analysis dedicated for angle-resolved photoelectron spectroscopy at liquid surfaces and interfaces

    Science.gov (United States)

    Niedermaier, Inga; Kolbeck, Claudia; Steinrück, Hans-Peter; Maier, Florian

    2016-04-01

    The investigation of liquid surfaces and interfaces with the powerful toolbox of ultra-high vacuum (UHV)-based surface science techniques generally has to overcome the issue of liquid evaporation within the vacuum system. In the last decade, however, new classes of liquids with negligible vapor pressure at room temperature—in particular, ionic liquids (ILs)—have emerged for surface science studies. It has been demonstrated that particularly angle-resolved X-ray Photoelectron Spectroscopy (ARXPS) allows for investigating phenomena that occur at gas-liquid and liquid-solid interfaces on the molecular level. The results are not only relevant for IL systems but also for liquids in general. In all of these previous ARXPS studies, the sample holder had to be tilted in order to change the polar detection angle of emitted photoelectrons, which restricted the liquid systems to very thin viscous IL films coating a flat solid support. We now report on the concept and realization of a new and unique laboratory "Dual Analyzer System for Surface Analysis (DASSA)" which enables fast ARXPS, UV photoelectron spectroscopy, imaging XPS, and low-energy ion scattering at the horizontal surface plane of macroscopically thick non-volatile liquid samples. It comprises a UHV chamber equipped with two electron analyzers mounted for simultaneous measurements in 0° and 80° emission relative to the surface normal. The performance of DASSA on a first macroscopic liquid system will be demonstrated.

  6. Introductory Lecture. Probing wavepacket dynamics with femtosecond energy- and angle-resolved photoelectron spectroscopy

    OpenAIRE

    Takatsuka, Kazuo; Arasaki, Yasuki; Wang, Kwanghsi; McKoy, Vincent

    2000-01-01

    Several recent studies have demonstrated how well-suited femtosecond time-resolved photoelectron spectra are for mapping wavepacket dynamics in molecular systems. Theoretical studies of femtosecond photoelectron spectra which incorporate a robust description of the underlying photoionization dynamics should enhance the utility of such spectra as a probe of wavepackets and of the evolution of electronic structure. This should be particularly true in regions of avoided crossings where the photo...

  7. SmB6 electron-phonon coupling constant from time- and angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Sterzi, A.; Crepaldi, A.; Cilento, F.; Manzoni, G.; Frantzeskakis, E.; Zacchigna, M.; van Heumen, E.; Huang, Y. K.; Golden, M. S.; Parmigiani, F.

    2016-08-01

    SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above the Fermi level can be described by a time-dependent Fermi-Dirac distribution. By solving a two-temperature model that well reproduces the relaxation dynamics of the effective electronic temperature, we estimate the electron-phonon coupling constant λ to range from 0.13 ±0.03 to 0.04 ±0.01 . These extremes are obtained assuming a coupling of the electrons with either a phonon mode at 10 or 19 meV. A realistic value of the average phonon energy will give an actual value of λ within this range. Our results provide an experimental report on the material electron-phonon coupling, contributing to both the electronic transport and the macroscopic thermodynamic properties of SmB6.

  8. Angle resolved x-ray photoelectron spectroscopy (ARXPS) analysis of lanthanum oxide for micro-flexography printing

    Energy Technology Data Exchange (ETDEWEB)

    Hassan, S., E-mail: suhaimihas@uthm.edu.my; Yusof, M. S., E-mail: mdsalleh@uthm.edu.my; Maksud, M. I., E-mail: midris1973@gmail.com [Faculty of Mechanical and Manufacturing Engineering, Universiti Tun Hussein Onn Malaysia, 86400 Batu Pahat, Johor (Malaysia); Embong, Z., E-mail: zaidi@uthm.edu.my [Faculty of Science, Technology and Human Development, Universiti Tun Hussein Onn Malaysia, 86400 Batu Pahat, Johor (Malaysia)

    2016-01-22

    Micro-flexography printing was developed in patterning technique from micron to nano scale range to be used for graphic, electronic and bio-medical device on variable substrates. In this work, lanthanum oxide (La{sub 2}O{sub 3}) has been used as a rare earth metal candidate as depositing agent. This metal deposit was embedded on Carbon (C) and Silica (Si) wafer substrate using Magnetron Sputtering technique. The choose of Lanthanum as a target is due to its wide application in producing electronic devices such as thin film battery and printed circuit board. The La{sub 2}O{sub 3} deposited on the surface of Si wafer substrate was then analyzed using Angle Resolve X-Ray Photoelectron Spectroscopy (ARXPS). The position for each synthetic component in the narrow scan of Lanthanum (La) 3d and O 1s are referred to the electron binding energy (eV). The La 3d narrow scan revealed that the oxide species of this particular metal is mainly contributed by La{sub 2}O{sub 3} and La(OH){sub 3}. The information of oxygen species, O{sup 2-} component from O 1s narrow scan indicated that there are four types of species which are contributed from the bulk (O{sup 2−}), two chemisorb component (La{sub 2}O{sub 3}) and La(OH){sub 3} and physisorp component (OH). Here, it is proposed that from the adhesive and surface chemical properties of La, it is suitable as an alternative medium for micro-flexography printing technique in printing multiple fine solid lines at nano scale. Hence, this paper will describe the capability of this particular metal as rare earth metal for use in of micro-flexography printing practice. The review of other parameters contributing to print fine lines will also be described later.

  9. Angle resolved x-ray photoelectron spectroscopy (ARXPS) analysis of lanthanum oxide for micro-flexography printing

    Science.gov (United States)

    Hassan, S.; Yusof, M. S.; Embong, Z.; Maksud, M. I.

    2016-01-01

    Micro-flexography printing was developed in patterning technique from micron to nano scale range to be used for graphic, electronic and bio-medical device on variable substrates. In this work, lanthanum oxide (La2O3) has been used as a rare earth metal candidate as depositing agent. This metal deposit was embedded on Carbon (C) and Silica (Si) wafer substrate using Magnetron Sputtering technique. The choose of Lanthanum as a target is due to its wide application in producing electronic devices such as thin film battery and printed circuit board. The La2O3 deposited on the surface of Si wafer substrate was then analyzed using Angle Resolve X-Ray Photoelectron Spectroscopy (ARXPS). The position for each synthetic component in the narrow scan of Lanthanum (La) 3d and O 1s are referred to the electron binding energy (eV). The La 3d narrow scan revealed that the oxide species of this particular metal is mainly contributed by La2O3 and La(OH)3. The information of oxygen species, O2- component from O 1s narrow scan indicated that there are four types of species which are contributed from the bulk (O2-), two chemisorb component (La2O3) and La(OH)3 and physisorp component (OH). Here, it is proposed that from the adhesive and surface chemical properties of La, it is suitable as an alternative medium for micro-flexography printing technique in printing multiple fine solid lines at nano scale. Hence, this paper will describe the capability of this particular metal as rare earth metal for use in of micro-flexography printing practice. The review of other parameters contributing to print fine lines will also be described later.

  10. Angle resolved x-ray photoelectron spectroscopy (ARXPS) analysis of lanthanum oxide for micro-flexography printing

    International Nuclear Information System (INIS)

    Micro-flexography printing was developed in patterning technique from micron to nano scale range to be used for graphic, electronic and bio-medical device on variable substrates. In this work, lanthanum oxide (La2O3) has been used as a rare earth metal candidate as depositing agent. This metal deposit was embedded on Carbon (C) and Silica (Si) wafer substrate using Magnetron Sputtering technique. The choose of Lanthanum as a target is due to its wide application in producing electronic devices such as thin film battery and printed circuit board. The La2O3 deposited on the surface of Si wafer substrate was then analyzed using Angle Resolve X-Ray Photoelectron Spectroscopy (ARXPS). The position for each synthetic component in the narrow scan of Lanthanum (La) 3d and O 1s are referred to the electron binding energy (eV). The La 3d narrow scan revealed that the oxide species of this particular metal is mainly contributed by La2O3 and La(OH)3. The information of oxygen species, O2- component from O 1s narrow scan indicated that there are four types of species which are contributed from the bulk (O2−), two chemisorb component (La2O3) and La(OH)3 and physisorp component (OH). Here, it is proposed that from the adhesive and surface chemical properties of La, it is suitable as an alternative medium for micro-flexography printing technique in printing multiple fine solid lines at nano scale. Hence, this paper will describe the capability of this particular metal as rare earth metal for use in of micro-flexography printing practice. The review of other parameters contributing to print fine lines will also be described later

  11. A spin- and angle-resolving photoelectron spectrometer

    International Nuclear Information System (INIS)

    A new type of hemispherical electron energy analyzer that permits angle and spin resolved photoelectron spectroscopy has been developed. The analyzer permits standard angle resolved spectra to be recorded with a two-dimensional detector in parallel with spin detection using a mini-Mott polarimeter. General design considerations as well as technical solutions are discussed and test results from the Au(111) surface state are presented.

  12. High-resolution soft-X-ray beamline ADRESS at Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

    OpenAIRE

    Strocov, V. N.; Schmitt, T; U. Flechsig; Schmidt, T.; Imhof, A; Q. Chen; J. Raabe; Betemps, R.; Zimoch, D.; Krempasky, J.; A. Piazzalunga; X Wang; Grioni, M.; Patthey, L.

    2009-01-01

    We describe the concepts and technical realization of the high-resolution soft-X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for Resonant Inelastic X-ray Scattering (RIXS) and Angle-Resolved Photoelectron Spectroscopy (ARPES). The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0-180 deg rotatable linear polarizations) but als...

  13. High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

    OpenAIRE

    Strocov, V. N.; Schmitt, T; U. Flechsig; Schmidt, T.; Imhof, A; Q. Chen; J. Raabe; Betemps, R.; Zimoch, D.; Krempasky, J.; X Wang; Grioni, M.; A. Piazzalunga; Patthey, L.

    2010-01-01

    The concepts and technical realisation of the high-resolution soft X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for resonant inelastic X-ray scattering (RIXS) and angle-resolved photoelectron spectroscopy (ARPES) are described. The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0–180° rotatable linear polarizations) but also...

  14. Pump laser-induced space-charge effects in HHG-driven time- and angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Oloff, L.-P.; Hanff, K.; Stange, A.; Rohde, G.; Diekmann, F.; Bauer, M.; Rossnagel, K.

    2016-06-01

    With the advent of ultrashort-pulsed extreme ultraviolet sources, such as free-electron lasers or high-harmonic-generation (HHG) sources, a new research field for photoelectron spectroscopy has opened up in terms of femtosecond time-resolved pump-probe experiments. The impact of the high peak brilliance of these novel sources on photoemission spectra, so-called vacuum space-charge effects caused by the Coulomb interaction among the photoemitted probe electrons, has been studied extensively. However, possible distortions of the energy and momentum distributions of the probe photoelectrons caused by the low photon energy pump pulse due to the nonlinear emission of electrons have not been studied in detail yet. Here, we systematically investigate these pump laser-induced space-charge effects in a HHG-based experiment for the test case of highly oriented pyrolytic graphite. Specifically, we determine how the key parameters of the pump pulse—the excitation density, wavelength, spot size, and emitted electron energy distribution—affect the measured time-dependent energy and momentum distributions of the probe photoelectrons. The results are well reproduced by a simple mean-field model, which could open a path for the correction of pump laser-induced space-charge effects and thus toward probing ultrafast electron dynamics in strongly excited materials.

  15. Electronic structure of Pc2Lu and (PcAlF)n oriented thin films using angle resolved photoelectron spectroscopy

    Science.gov (United States)

    Fahy, M. R.; Fujimoto, H.; Dann, A. J.; Hoshi, H.; Inokuchi, H.; Maruyama, Y.; Willis, M. R.

    1990-04-01

    Ultraviolet photoelectron spectra have been measured for the radical phthalocyanine dimer, Pc2Lu, and the fluorine bridge stacked phthalocyanine polymer (PcAlF)n. Previous workers have shown that both materials can, under appropriate conditions, be prepared in a well characterised, highly oriented thin film form. Thus, samples for this work were prepared by in situ sublimation at very slow evaporation rates onto crystalline substrates to try to maximise the degree of sample orientation. The angle dependence of the spectra were measured and the sample structure subsequently examined using high resolution TEM. The TEM results show that the (PcAlF)n films have a much higher level of orientation than the Pc2Lu films and this is reflected by the angle dependences of the UPS measurements. The spectra for (PcAlF)n are very similar to measurements on most other simple phthalocyanine compounds and have a small angular dependence. The spectra for Pc2Lu show almost no angular dependence. Again the spectra are broadly similar to that of other Pc's with two significant differences, the lowest energy peak is split and the whole spectra is shifted to lower energy. This result will be discussed in terms of simple molecular orbital ideas. The effect of air on the spectra of both materials was examined and the spectra of (PcAlF)n was found to be particularly sensitive. Attempts to determine the position of the lutetium orbitals by varying the light frequency around the lutetium resonance energies was attempted but no significant variation in the spectra was observed.

  16. High-resolution soft-X-ray beamline ADRESS at Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

    CERN Document Server

    Strocov, V N; Flechsig, U; Schmidt, T; Imhof, A; Chen, Q; Raabe, J; Betemps, R; Zimoch, D; Krempasky, J; Piazzalunga, A; Wang, X; Grioni, M; Patthey, L

    2009-01-01

    We describe the concepts and technical realization of the high-resolution soft-X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for Resonant Inelastic X-ray Scattering (RIXS) and Angle-Resolved Photoelectron Spectroscopy (ARPES). The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0-180 deg rotatable linear polarizations) but also the energy without changing the gap. The beamline optics is based on the well-established scheme of plane grating monochromator (PGM) operating in collimated light. The ultimate resolving power E/dE is above 33000 at 1 keV photon energy. The choice of blazed vs lamellar gratings and optimization of their profile parameters is described. Due to glancing angles on the mirrors as well as optimized groove densities and profiles of the gratings, high photon flux is achieved up to 1.0e13 photons/s/0.01%BW at 1 keV. Ellipsoida...

  17. High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies.

    Science.gov (United States)

    Strocov, V N; Schmitt, T; Flechsig, U; Schmidt, T; Imhof, A; Chen, Q; Raabe, J; Betemps, R; Zimoch, D; Krempasky, J; Wang, X; Grioni, M; Piazzalunga, A; Patthey, L

    2010-09-01

    The concepts and technical realisation of the high-resolution soft X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for resonant inelastic X-ray scattering (RIXS) and angle-resolved photoelectron spectroscopy (ARPES) are described. The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0-180 degrees rotatable linear polarizations) but also the energy without changing the gap. The beamline optics is based on the well established scheme of plane-grating monochromator operating in collimated light. The ultimate resolving power E/DeltaE is above 33000 at 1 keV photon energy. The choice of blazed versus lamellar gratings and optimization of their profile parameters is described. Owing to glancing angles on the mirrors as well as optimized groove densities and profiles of the gratings, the beamline is capable of delivering high photon flux up to 1 x 10(13) photons s(-1) (0.01% BW)(-1) at 1 keV. Ellipsoidal refocusing optics used for the RIXS endstation demagnifies the vertical spot size down to 4 microm, which allows slitless operation and thus maximal transmission of the high-resolution RIXS spectrometer delivering E/DeltaE > 11000 at 1 keV photon energy. Apart from the beamline optics, an overview of the control system is given, the diagnostics and software tools are described, and strategies used for the optical alignment are discussed. An introduction to the concepts and instrumental realisation of the ARPES and RIXS endstations is given. PMID:20724785

  18. Angle-resolved X-ray photoelectron spectroscopy of topmost surface for LaNiO 3 thin film grown on SrTiO 3 substrate by laser molecular beam epitaxy

    Science.gov (United States)

    Chen, P.; Xu, S. Y.; Lin, J.; Ong, C. K.; Cui, D. F.

    1999-01-01

    The LaNiO 3 thin film was grown on SrTiO 3 (001) substrate by computer-controlled laser molecular beam epitaxy (laser MBE). In situ monitoring of the growing film surface was performed with a reflection high energy electron diffraction (RHEED). Angle-resolved X-ray photoelectron spectroscopy (ARXPS) indicated that the terminating plane of the LaNiO 3 film was the LaO atomic plane, and the SrTiO 3 (001) surfaces of as-supplied substrate as well as HF-pretreated substrate were predominantly terminated with TiO atomic plane. The structural conversion of the topmost atomic layer from NiO to LaO occurred during the LaNiO 3 epitaxial growth process.

  19. Photoelectron spectroscopy at a free-electron laser. Investigation of space-charge effects in angle-resolved and core-level spectroscopy and realizaton of a time-resolved core-level photoemission experiment

    Energy Technology Data Exchange (ETDEWEB)

    Marczynski-Buehlow, Martin

    2012-01-30

    The free-electron laser (FEL) in Hamburg (FLASH) is a very interesting light source with which to perform photoelectron spectroscopy (PES) experiments. Its special characteristics include highly intense photon pulses (up to 100 J/pulse), a photon energy range of 30 eV to 1500 eV, transverse coherence as well as pulse durations of some ten femtoseconds. Especially in terms of time-resolved PES (TRPES), the deeper lying core levels can be reached with photon energies up to 1500 eV with acceptable intensity now and, therefore, element-specific, time-resolved core-level PES (XPS) is feasible at FLASH. During the work of this thesis various experimental setups were constructed in order to realize angle-resolved (ARPES), core-level (XPS) as well as time-resolved PES experiments at the plane grating monochromator beamline PG2 at FLASH. Existing as well as newly developed systems for online monitoring of FEL pulse intensities and generating spatial and temporal overlap of FEL and optical laser pulses for time-resolved experiments are successfully integrated into the experimental setup for PES. In order to understand space-charge effects (SCEs) in PES and, therefore, being able to handle those effects in future experiments using highly intense and pulsed photon sources, the origin of energetic broadenings and shifts in photoelectron spectra are studied by means of a molecular dynamic N-body simulation using a modified Treecode Algorithm for sufficiently fast and accurate calculations. It turned out that the most influencing parameter is the ''linear electron density'' - the ratio of the number of photoelectrons to the diameter of the illuminated spot on the sample. Furthermore, the simulations could reproduce the observations described in the literature fairly well. Some rules of thumb for XPS and ARPES measurements could be deduced from the simulations. Experimentally, SCEs are investigated by means of ARPES as well as XPS measurements as a function of

  20. Photoelectron spectroscopy at a free-electron laser. Investigation of space-charge effects in angle-resolved and core-level spectroscopy and realizaton of a time-resolved core-level photoemission experiment

    International Nuclear Information System (INIS)

    The free-electron laser (FEL) in Hamburg (FLASH) is a very interesting light source with which to perform photoelectron spectroscopy (PES) experiments. Its special characteristics include highly intense photon pulses (up to 100 J/pulse), a photon energy range of 30 eV to 1500 eV, transverse coherence as well as pulse durations of some ten femtoseconds. Especially in terms of time-resolved PES (TRPES), the deeper lying core levels can be reached with photon energies up to 1500 eV with acceptable intensity now and, therefore, element-specific, time-resolved core-level PES (XPS) is feasible at FLASH. During the work of this thesis various experimental setups were constructed in order to realize angle-resolved (ARPES), core-level (XPS) as well as time-resolved PES experiments at the plane grating monochromator beamline PG2 at FLASH. Existing as well as newly developed systems for online monitoring of FEL pulse intensities and generating spatial and temporal overlap of FEL and optical laser pulses for time-resolved experiments are successfully integrated into the experimental setup for PES. In order to understand space-charge effects (SCEs) in PES and, therefore, being able to handle those effects in future experiments using highly intense and pulsed photon sources, the origin of energetic broadenings and shifts in photoelectron spectra are studied by means of a molecular dynamic N-body simulation using a modified Treecode Algorithm for sufficiently fast and accurate calculations. It turned out that the most influencing parameter is the ''linear electron density'' - the ratio of the number of photoelectrons to the diameter of the illuminated spot on the sample. Furthermore, the simulations could reproduce the observations described in the literature fairly well. Some rules of thumb for XPS and ARPES measurements could be deduced from the simulations. Experimentally, SCEs are investigated by means of ARPES as well as XPS measurements as a function of FEL pulse

  1. Surface and subsurface oxidation of Mo2C/Mo(100): low-energy ion-scattering, auger electron, angle-resolved X-ray photoelectron, and mass spectroscopy studies.

    Science.gov (United States)

    Ovári, László; Kiss, János; Farkas, Arnold P; Solymosi, Frigyes

    2005-03-17

    The interaction of oxygen with a carburized Mo(100) surface was investigated at different temperatures (300-1000 K). The different information depths of low-energy ion-scattering (LEIS) spectroscopy, with topmost layer sensitivity, Auger electron spectroscopy (AES), and angle-resolved X-ray photoelectron spectroscopy (ARXPS) allowed us to discriminate between reactions on the topmost layer and subsurface transformations. According to ARXPS measurements, a carbide overlayer was prepared by the high-temperature decomposition of C(2)H(4) on Mo(100), and the carbon distribution proved to be homogeneous with a Mo(2)C stoichiometry down to the information depth of XPS. O(2) adsorbs dissociatively on the carbide layer at room temperature. One part of the chemisorbed oxygen is bound to both C and Mo sites, indicated by LEIS. Another fraction of oxygen atoms probably resides in the hollow sites not occupied by C. The removal of C from the outermost layer by O(2), in the form of CO, detected by mass spectroscopy (MS), was observed at 500-600 K. The carbon-depleted first layer is able to adsorb more oxygen compared to the Mo(2)C/Mo(100) surface. Applying higher doses of O(2) at 800 K results in the inward diffusion of O and the partial oxidation of Mo atoms. This process, however, is not accompanied by the removal of C from subsurface sites. The depletion of C from the bulk starts only at 900 K (as shown by MS, AES, and XPS), very probably by the diffusion of C to the surface followed by its reaction with oxygen. At T(ads) = 1000 K, the carbon content of the sample, down to the information depth of XPS, decreased further, accompanied by the attenuation of the C concentration gradient and a substantially decreased amount of oxygen.

  2. Time and angle resolved photoemission spectroscopy using femtosecond visible and high-harmonic light

    Energy Technology Data Exchange (ETDEWEB)

    Mathias, S; Deicke, F; Ruffing, A; Aeschlimann, M [Department of Physics and Research Center OPTIMAS, University of Kaiserslautern, 67663 Kaiserslautern (Germany); Wiesenmayer, M; Bauer, M [Institut fuer experimentelle und angewandte Physik, Christian-Albrechts Universitaet zu Kiel, 24118 Kiel (Germany); Miaja-Avila, L; Murnane, M M; Kapteyn, H C, E-mail: SMathias@gmx.d [JILA, University of Colorado and National Institute of Standards and Technology, and Department of Physics, University of Colorado, Boulder, Colorado 80309-0440 (United States)

    2009-02-01

    The angle resolved photoelectron spectroscopy (ARPES) has emerged as a leading technique in identifying static key properties of complex systems such as the electronic band structure of adsorbed molecules, ultrathin quantum-well films or high temperature superconductors. We efficiently combined ARPES by using a two-dimensional analyzer for parallel energy (E) and momentum (k{sub ||}) detection with femtosecond time-resolved spectroscopies. Using time and angle resolved two photon photoemission (2PPE) with visible light pulses, the hot electron dynamics in complex electronic structures are directly accessible by means of angle resolved hot electron lifetime mapping. Furthermore, femtosecond ARPES spectra recorded with high harmonic generation (HHG) light pulses are presented, showing the potential of this technique for future investigations of surface dynamics and photo-induced phase transition processes.

  3. Spin-orbit-induced photoelectron spin polarization in angle-resolved photoemission from both atomic and condensed matter targets

    International Nuclear Information System (INIS)

    The existence of highly spin polarized photoelectrons emitted from non-magnetic solids as well as from unpolarized atoms and molecules has been found to be very common in many studies over the past 40 years. This so-called Fano effect is based upon the influence of the spin-orbit interaction in the photoionization or the photoemission process. In a non-angle-resolved photoemission experiment, circularly polarized radiation has to be used to create spin polarized photoelectrons, while in angle-resolved photoemission even unpolarized or linearly polarized radiation is sufficient to get a high spin polarization. In past years the Rashba effect has become very important in the angle-resolved photoemission of solid surfaces, also with an observed high photoelectron spin polarization. It is the purpose of the present topical review to cross-compare the spin polarization experimentally found in angle-resolved photoelectron emission spectroscopy of condensed matter with that of free atoms, to compare it with the Rashba effect and topological insulators to describe the influence and the importance of the spin-orbit interaction and to show and disentangle the matrix element and phase shift effects therein. The relationship between the energy dispersion of these phase shifts and the emission delay of photoelectron emission in attosecond-resolved photoemission is also discussed. Furthermore the influence of chiral structures of the photo-effect target on the spin polarization, the interferences of different spin components in coherent superpositions in photoemission and a cross-comparison of spin polarization in photoemission from non-magnetic solids with XMCD on magnetic materials are presented; these are all based upon the influence of the spin-orbit interaction in angle-resolved photoemission. (topical review)

  4. Highly Angle-Resolved X-Ray Photoelectron Diffraction from Solid Surfaces

    Science.gov (United States)

    Tamura, K.; Shiraki, S.; Ishii, H.; Owari, M.; Nihei, Y.

    We have carried out the highly angle-resolved X-ray photoelectron diffraction (XPED) measurements by using the input-lens system for restriction of the detection angle. In the input-lens system, high angular resolution and high throughput are accomplished by placing an aperture not on the image plane but on the diffraction plane of electron optics. The aperture sizes (ϕ 4 mm, ϕ 2 mm, ϕ 0.5 mm, ϕ 0.25 mm) correspond to the angular resolutions (± 0.6°, ± 0.3°, ± 0.08°, ± 0.04°) respectively. Highly angle-resolved Ge3d XPED patterns from Ge(111) obtained by the angle-resolving system contain fine structure such as Kikuchi patterns. The fine structure was reproduced by multiple scattering cluster calculations.

  5. Angle resolved electron energy loss spectroscopy on graphite

    Science.gov (United States)

    Diebold, U.; Preisinger, A.; Schattschneider, P.; Varga, P.

    We report on angle resolved electron energy loss spectroscopy (EELS) in reflection mode with low primary energy on a graphite single crystal. Measurements with primary electron energy of 175 eV have been performed in off-Bragg-reflex geometry in two different directions within the (0001) surface plane of the graphite single crystal. In addition, EELS measurements in specular reflection mode with different primary energies and angles of incidence were done in order to distinguish between surface and bulk plasmon losses. The energy losses and the transferred momenta of the losses have been analyzed. The results are compared with the loss functions for bulk and surface excitations calculated from the dielectric function ɛ(ω, q) obtained from TEELS-data (EELS in transmission mode) [Springer Tracts Mod. Phys. 54 (1970) 77].

  6. Is the Separable Propagator Perturbation Approach Accurate in Calculating Angle Resolved Photoelectron Diffraction Spectra?

    Science.gov (United States)

    Ng, C. N.; Chu, T. P.; Wu, Huasheng; Tong, S. Y.; Huang, Hong

    1997-03-01

    We compare multiple scattering results of angle-resolved photoelectron diffraction spectra between the exact slab method and the separable propagator perturbation method. In the slab method,footnote C.H. Li, A.R. Lubinsky and S.Y. Tong, Phys. Rev. B17, 3128 (1978). the source wave and multiple scattering within the strong scattering atomic layers are expanded in spherical waves while interlayer scattering is expressed in plane waves. The transformation between spherical waves and plane waves is done exactly. The plane waves are then matched across the solid-vacuum interface to a single outgoing plane wave in the detector's direction. The separable propagator perturbation approach uses two approximations: (i) A separable representation of the Green's function propagator and (ii) A perturbation expansion of multiple scattering terms. Results of c(2x2) S-Ni(001) show that this approximate method fails to converge due to the very slow convergence of the separable representation for scattering angles less than 90^circ. However, this method is accurate in the backscattering regime and may be applied to XAFS calculations.(J.J. Rehr and R.C. Albers, Phys. Rev. B41, 8139 (1990).) The use of this method for angle-resolved photoelectron diffraction spectra is substantially less reliable.

  7. Angle-resolved photoemission spectroscopy (ARPES) studies of cuprate superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Palczewski, Ari Deibert [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    This dissertation is comprised of three different angle-resolved photoemission spectroscopy (ARPES) studies on cuprate superconductors. The first study compares the band structure from two different single layer cuprates Tl2Ba2CuO6+δ (Tl2201) Tc, max ≈ 95 K and (Bi 1.35Pb0.85)(Sr1.47La0.38)CuO6+δ (Bi2201) Tc, max ≈ 35 K. The aim of the study was to provide some insight into the reasons why single layer cuprate's maximum transition temperatures are so different. The study found two major differences in the band structure. First, the Fermi surface segments close to (π,0) are more parallel in Tl2201 than in Bi2201. Second, the shadow band usually related to crystal structure is only present in Bi2201, but absent in higher Tc Tl2201. The second study looks at the different ways of doping Bi2Sr2CaCu2O8+δ (Bi2212) in-situ by only changing the post bake-out vacuum conditions and temperature. The aim of the study is to systematically look into the generally overlooked experimental conditions that change the doping of a cleaved sample in ultra high vacuum (UHV) experiments. The study found two major experimental facts. First, in inadequate UHV conditions the carrier concentration of Bi2212 increases with time, due to the absorption of oxygen from CO2/CO molecules, prime contaminants present in UHV systems. Second, in a very clean UHV system at elevated temperatures (above about 200 K), the carrier concentration decreases due to the loss of oxygen atoms from the Bi-O layer. The final study probed the particle-hole symmetry of the pseudogap phase in high temperature superconducting cuprates by looking at the thermally excited bands above the Fermi level. The data showed a particle-hole symmetric pseudogap which symmetrically closes away from the nested FS before the node. The data is

  8. High-resolution three-dimensional spin- and angle-resolved photoelectron spectrometer using vacuum ultraviolet laser light

    Science.gov (United States)

    Yaji, Koichiro; Harasawa, Ayumi; Kuroda, Kenta; Toyohisa, Sogen; Nakayama, Mitsuhiro; Ishida, Yukiaki; Fukushima, Akiko; Watanabe, Shuntaro; Chen, Chuangtian; Komori, Fumio; Shin, Shik

    2016-05-01

    We describe a spin- and angle-resolved photoelectron spectroscopy (SARPES) apparatus with a vacuum-ultraviolet (VUV) laser (hν = 6.994 eV) developed at the Laser and Synchrotron Research Center at the Institute for Solid State Physics, The University of Tokyo. The spectrometer consists of a hemispherical photoelectron analyzer equipped with an electron deflector function and twin very-low-energy-electron-diffraction-type spin detectors, which allows us to analyze the spin vector of a photoelectron three-dimensionally with both high energy and angular resolutions. The combination of the high-performance spectrometer and the high-photon-flux VUV laser can achieve an energy resolution of 1.7 meV for SARPES. We demonstrate that the present laser-SARPES machine realizes a quick SARPES on the spin-split band structure of a Bi(111) film even with 7 meV energy and 0.7∘ angular resolutions along the entrance-slit direction. This laser-SARPES machine is applicable to the investigation of spin-dependent electronic states on an energy scale of a few meV.

  9. Angle-Resolved Auger Spectroscopy as a Sensitive Access to Vibronic Coupling

    Science.gov (United States)

    Knie, A.; Patanen, M.; Hans, A.; Petrov, I. D.; Bozek, J. D.; Ehresmann, A.; Demekhin, Ph. V.

    2016-05-01

    In the angle-averaged excitation and decay spectra of molecules, vibronic coupling may induce the usually weak dipole-forbidden transitions by the excitation intensity borrowing mechanism. The present complementary theoretical and experimental study of the resonant Auger decay of core-to-Rydberg excited CH4 and Ne demonstrates that vibronic coupling plays a decisive role in the formation of the angle-resolved spectra by additionally involving the decay rate borrowing mechanism. Thereby, we propose that the angle-resolved Auger spectroscopy can in general provide very insightful information on the strength of the vibronic coupling.

  10. High-harmonic XUV source for time- and angle-resolved photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dakovski, Georgi L [Los Alamos National Laboratory; Li, Yinwan [Los Alamos National Laboratory; Durakiewicz, Tomasz [Los Alamos National Laboratory; Rodriguez, George [Los Alamos National Laboratory

    2009-01-01

    We present a laser-based apparatus for visible pump/XUV probe time- and angle-resolved photoemission spectroscopy (TRARPES) utilizing high-harmonic generation from a noble gas. Femtosecond temporal resolution for each selected harmonic is achieved by using a time-delay-compensated monochromator (TCM). The source has been used to obtain photoemission spectra from insulators (UO{sub 2}) and ultrafast pump/probe processes in semiconductors (GaAs).

  11. Angle-resolved photoemission spectroscopy study of adsorption process and electronic structure of silver on ZnO(1010).

    Science.gov (United States)

    Ozawa, K; Sato, T; Kato, M; Edamoto, K; Aiura, Y

    2005-08-01

    The adsorption process and valence band structure of Ag on ZnO(1010) have been investigated by angle-resolved photoelectron spectroscopy utilizing synchrotron radiation. The coverage-dependent measurements of the Ag 4d band structure reveal that the Ag bands with a dispersing feature are formed even at low coverages and that the basic structure of the bands is essentially the same throughout the submonolayer region. These results indicate that the Ag atoms aggregate to form islands with an atomically ordered structure from the low coverages. Upon annealing the Ag-covered surface at 900 K, the Ag 4d band undergoes only a minor change, suggesting that the ordered structure within the Ag islands is persistent against mild annealing. From the dispersive feature of the Ag 4d states, we propose that the atomic structure has locally rectangular symmetry with a good lattice matching with the ZnO(1010) surface.

  12. Angle resolved photoemission spectroscopy of Sr_2CuO_2Cl_2 - a revisit

    OpenAIRE

    Duerr, C; Legner, S.; Hayn, R.; Borisenko, S. V.; Z. Hu; Theresiak, A.; Knupfer, M.; Golden, M. S.; Fink, J.; Ronning, F.; Shen, Z.-X.; Eisaki, H.; Uchida, S.; Janowitz, C.; Mueller, R.

    2000-01-01

    We have investigated the lowest binding-energy electronic structure of the model cuprate Sr_2CuO_2Cl_2 using angle resolved photoemission spectroscopy (ARPES). Our data from about 80 cleavages of Sr_2CuO_2Cl_2 single crystals give a comprehensive, self-consistent picture of the nature of the first electron-removal state in this model undoped CuO_2-plane cuprate. Firstly, we show a strong dependence on the polarization of the excitation light which is understandable in the context of the matri...

  13. Energy and angle resolved ion scattering spectroscopy: new possibilities for surface analysis

    International Nuclear Information System (INIS)

    In this thesis the design and development of a novel, very sensitive and high-resolving spectrometer for surface analysis is described. This spectrometer is designed for Energy and Angle Resolved Ion Scattering Spectroscopy (EARISS). There are only a few techniques that are sensitive enough to study the outermost atomic layer of surfaces. One of these techniques, Low-Energy Ion Scattering (LEIS), is discussed in chapter 2. Since LEIS is destructive, it is important to make a very efficient use of the scattered ions. This makes it attractive to simultaneously carry out energy and angle dependent measurements (EARISS). (Auth.)

  14. Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectra

    CERN Document Server

    Decleva, P; Perveaux, A; Lauvergnat, D; Gatti, F; Lasorne, B; Halász, G J; Vibók, Á

    2016-01-01

    Recently we reported a series of numerical simulations proving that it is possible in principle to create an electronic wave packet and subsequent electronic motion in a neutral molecule photoexcited by a UV pump pulse within a few femtoseconds. We considered the ozone molecule: for this system the electronic wave packet leads to a dissociation process. In the present work, we investigate more specifically the time-resolved photoelectron angular distribution of the ozone molecule that provides a much more detailed description of the evolution of the electronic wave packet. We thus show that this experimental technique should be able to give access to observing in real time the creation of an electronic wave packet in a neutral molecule and its impact on a chemical process.

  15. Photoelectron spectroscopy and the dipole approximation

    Energy Technology Data Exchange (ETDEWEB)

    Hemmers, O.; Hansen, D.L.; Wang, H. [Univ. of Nevada, Las Vegas, NV (United States)] [and others

    1997-04-01

    Photoelectron spectroscopy is a powerful technique because it directly probes, via the measurement of photoelectron kinetic energies, orbital and band structure in valence and core levels in a wide variety of samples. The technique becomes even more powerful when it is performed in an angle-resolved mode, where photoelectrons are distinguished not only by their kinetic energy, but by their direction of emission as well. Determining the probability of electron ejection as a function of angle probes the different quantum-mechanical channels available to a photoemission process, because it is sensitive to phase differences among the channels. As a result, angle-resolved photoemission has been used successfully for many years to provide stringent tests of the understanding of basic physical processes underlying gas-phase and solid-state interactions with radiation. One mainstay in the application of angle-resolved photoelectron spectroscopy is the well-known electric-dipole approximation for photon interactions. In this simplification, all higher-order terms, such as those due to electric-quadrupole and magnetic-dipole interactions, are neglected. As the photon energy increases, however, effects beyond the dipole approximation become important. To best determine the range of validity of the dipole approximation, photoemission measurements on a simple atomic system, neon, where extra-atomic effects cannot play a role, were performed at BL 8.0. The measurements show that deviations from {open_quotes}dipole{close_quotes} expectations in angle-resolved valence photoemission are observable for photon energies down to at least 0.25 keV, and are quite significant at energies around 1 keV. From these results, it is clear that non-dipole angular-distribution effects may need to be considered in any application of angle-resolved photoelectron spectroscopy that uses x-ray photons of energies as low as a few hundred eV.

  16. Accessing Phonon Polaritons in Hyperbolic Crystals by Angle-Resolved Photoemission Spectroscopy

    Science.gov (United States)

    Tomadin, Andrea; Principi, Alessandro; Song, Justin C. W.; Levitov, Leonid S.; Polini, Marco

    2015-08-01

    Recently studied hyperbolic materials host unique phonon-polariton (PP) modes. The ultrashort wavelengths of these modes, as well as their low damping, hold promise for extreme subdiffraction nanophotonics schemes. Polar hyperbolic materials such as hexagonal boron nitride can be used to realize long-range coupling between PP modes and extraneous charge degrees of freedom. The latter, in turn, can be used to control and probe PP modes. Here we analyze coupling between PP modes and plasmons in an adjacent graphene sheet, which opens the door to accessing PP modes by angle-resolved photoemission spectroscopy (ARPES). A rich structure in the graphene ARPES spectrum due to PP modes is predicted, providing a new probe of PP modes and their coupling to graphene plasmons.

  17. 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.

  18. Direct angle resolved photoemission spectroscopy and superconductivity of strained high-c films

    Indian Academy of Sciences (India)

    Davor Pavuna; Daniel Ariosa; Dominique Cloetta; Claudia Cancellieri; Mike Abrecht

    2008-02-01

    Since 1997 we systematically perform direct angle resolved photoemission spectroscopy (ARPES) on in-situ grown thin (< 30 nm) cuprate films. Specifically, we probe low-energy electronic structure and properties of high-c superconductors (HTSC) under different degrees of epitaxial (compressive vs. tensile) strain. In overdoped and underdoped in-plane compressed (the strain is induced by the choice of substrate) ≃ 15 nm thin La2-SrCuO4 (LSCO) films we almost double c to 40 K, from 20 K and 24 K, respectively. Yet the Fermi surface (FS) remains essentially two-dimensional. In contrast, ARPES data under tensile strain exhibit the dispersion that is three-dimensional, yet c drastically decreases. It seems that the in-plane compressive strain tends to push the apical oxygen far away from the CuO2 plane, enhances the two-dimensional character of the dispersion and increases c, while the tensile strain acts in the opposite direction and the resulting dispersion is three-dimensional. We have established the shape of the FS for both cases, and all our data are consistent with other ongoing studies, like EXAFS. As the actual lattice of cuprates is like a `Napoleon-cake', i.e. rigid CuO2 planes alternating with softer `reservoir', that distort differently under strain, our data rule out all oversimplified two-dimensional (rigid lattice) mean field models. The work is still in progress on optimized La-doped Bi-2201 films with enhanced c.

  19. Angle resolved photoemission spectroscopy study on the non-saturate magnetoresistance material WTe2

    Science.gov (United States)

    Jiang, Juan; Niu, Xiaohai; Xie, Binping; Zhang, Tong; Feng, Donglai

    2015-03-01

    By performing high resolution angle-resolved photoemission spectroscopy, we obtain the detailed electronic structure of WTe2, which has an extremely large non-saturated magnetoresistance. Unlike the simple one electron and one hole pocket as expected, we resolved a rather complicated Fermi surface in WTe2. There is a hole pocket around the Brillouin zone center Γ, two hole pockets and two electron pockets along the tungsten chain direction. Thus the large magnetoresistance cannot be simply attributed to the electron-hole compensation, since this is based on a two carrier assumption model, the real case in WTe2 should be more complicated. Surprisingly, the circular dichroism ARPES result shows a strong intensity inversion between the data under the right-circular polarized light and the left-circular polarized light. This, indicates a proper different orbital angular momentum along the tungsten chain direction, which might also related to the different spin angular momentum since there're coupled with each other. Therefore, we propose that to fully understand the large magnetoresistance in WTe2, spin channel should also be involved where backscattering are forbidden under zero field.

  20. Direct angle resolved photoemission spectroscopy and superconductivity of strained high-Tc films

    Science.gov (United States)

    Pavuna, Davor; Ariosa, Daniel; Cloetta, Dominique; Cancellieri, Claudia; Abrecht, Mike

    2008-02-01

    Since 1997 we systematically perform direct angle resolved photoemission spectroscopy (ARPES) on in-situ grown thin (<30 nm) cuprate films. Specifically, we probe low-energy electronic structure and properties of high-T_{c} superconductors (HTSC) under different degrees of epitaxial ({compressive vs. tensile}) strain. In overdoped and underdoped in-plane compressed (the strain is induced by the choice of substrate) ≈15 nm thin La_{2-x}Sr_{x}CuO_{4} (LSCO) films we almost double T_{c} to 40 K, from 20 K and 24 K, respectively. Yet the Fermi surface (FS) remains essentially two-dimensional. In contrast, ARPES data under {tensile} strain exhibit the dispersion that is three-dimensional, yet T_{c} drastically decreases. It seems that the in-plane compressive strain tends to push the apical oxygen far away from the CuO_{2} plane, enhances the two-dimensional character of the dispersion and increases T_{c}, while the tensile strain acts in the opposite direction and the resulting dispersion is three-dimensional. We have established the shape of the FS for both cases, and all our data are consistent with other ongoing studies, like EXAFS. As the actual lattice of cuprates is like a `Napoleon-cake', i.e. rigid CuO_{2 } planes alternating with softer `reservoir', that distort differently under strain, our data rule out all oversimplified two-dimensional (rigid lattice) mean field models. The work is still in progress on optimized La-doped Bi-2201 films with enhanced T_{c}.

  1. Laser-based spin- and angle-resolved photoemission spectroscopy for rapid, high-resolution measurements

    Science.gov (United States)

    Gotlieb, Kenneth; Bostwick, Aaron; Hussain, Zahid; Lanzara, Alessandra; Jozwiak, Christopher

    2014-03-01

    A unique spin-and angle-resolved photoemission spectrometer (spin-ARPES) is coupled with a 6 eV laser to achieve unprecedented measurements of near-EF physics in topological insulators and Rashba systems. The pairing of the spin-ARPES system with the laser allows for energy and angular resolutions never before seen in a spin-ARPES experiment. Most importantly, the high efficiency of the system and high photon flux of the laser make measurements very rapid, permitting exploration of a large experimental phase space.

  2. Direct observation of the mass renormalization in SrVO3 by angle resolved photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, t.

    2010-05-03

    We have performed an angle-resolved photoemission study of the three-dimensional perovskite-type SrVO{sub 3}. Observed spectral weight distribution of the coherent part in the momentum space shows cylindrical Fermi surfaces consisting of the V 3d t{sub 2g} orbitals as predicted by local-density approximation (LDA) band-structure calculation. The observed energy dispersion shows a moderately enhanced effective mass compared to the LDA results, corresponding to the effective mass enhancement seen in the thermodynamic properties. Contributions from the bulk and surface electronic structures to the observed spectra are discussed based on model calculations.

  3. Polarization Effects in Attosecond Photoelectron Spectroscopy

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Madsen, Lars Bojer

    2010-01-01

    following the field instead. We show that polarization effects may lead to an apparent temporal shift that needs to be properly accounted for in the analysis. The effect may be isolated and studied by angle-resolved photoelectron spectroscopy from oriented polar molecules. We also show that polarization......We study the influence of polarization effects in streaking by combined atto- and femtosecond pulses. The polarization-induced terms alter the streaking spectrum. The conventional streaking spectrum, which maps to the vector potential of the femtosecond pulse, is modified by a contribution...

  4. Tunable VUV laser based spectrometer for Angle Resolved Photoemission Spectroscopy (ARPES)

    CERN Document Server

    Jiang, Rui; Wu, Yun; Huang, Lunan; McMillen, Colin D; Kolis, Joseph; Giesber, Henry G; Egan, John J; Kaminski, Adam

    2014-01-01

    We have developed an angle-resolved photoemission spectrometer with tunable VUV laser as a photon source. The photon source is based on the fourth harmonic generation of a near IR beam from a Ti:sapphire laser pumped by a CW green laser and tunable between 5.3eV and 7eV. The most important part of the set-up is a compact, vacuum enclosed fourth harmonic generator based on KBBF crystals, grown hydrothermally in the US. This source can deliver a photon flux of over 10^14 photons/s. We demonstrate that this energy range is sufficient to measure the kz dispersion in an iron arsenic high temperature superconductor, which was previously only possible at synchrotron facilities.

  5. Orbital Rashba effect and its detection by circular dichroism angle-resolved photoemission spectroscopy

    Science.gov (United States)

    Park, Jin-Hong; Kim, Choong H.; Rhim, Jun-Won; Han, Jung Hoon

    2012-05-01

    We show, by way of tight-binding and first-principles calculations, that a one-to-one correspondence between an electron's crystal momentum k and nonzero orbital angular momentum (OAM) is a generic feature of surface bands. The OAM forms a chiral structure in momentum space much as its spin counterpart in Rashba model does, as a consequence of the inherent inversion symmetry breaking at the surface but not of spin-orbit interaction. This is the orbital counterpart of conventional Rashba effect and may be called the “orbital Rashba effect.” The circular dichroism (CD) angle-resolved photoemission (ARPES) method is an efficient way to detect this new order, and we derive formulas explicitly relating the CD-ARPES signal to the existence of OAM in the band structure. The cases of degenerate p- and d-orbital bands are considered.

  6. 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

  7. Soft X-ray angle-resolved photoemission spectroscopy of heavily boron-doped superconducting diamond films

    Directory of Open Access Journals (Sweden)

    T. Yokoya, T. Nakamura, T. Matushita, T. Muro, H. Okazaki, M. Arita, K. Shimada, H. Namatame, M. Taniguchi, Y. Takano, M. Nagao, T. Takenouchi, H. Kawarada and T. Oguchi

    2006-01-01

    Full Text Available We have performed soft X-ray angle-resolved photoemission spectroscopy (SXARPES of microwave plasma-assisted chemical vapor deposition diamond films with different B concentrations in order to study the origin of the metallic behavior of superconducting diamond. SXARPES results clearly show valence band dispersions with a bandwidth of ~23 eV and with a top of the valence band at gamma point in the Brillouin zone, which are consistent with the calculated valence band dispersions of pure diamond. Boron concentration-dependent band dispersions near the Fermi level (EF exhibit a systematic shift of EF, indicating depopulation of electrons due to hole doping. These SXARPES results indicate that diamond bands retain for heavy boron doping and holes in the diamond band are responsible for the metallic states leading to superconductivity at low temperature. A high-resolution photoemission spectroscopy spectrum near EF of a heavily boron-doped diamond superconductor is also presented.

  8. Anisotropy of chemical bonding in semifluorinated graphite C2F revealed with angle-resolved X-ray absorption spectroscopy.

    Science.gov (United States)

    Okotrub, Alexander V; Yudanov, Nikolay F; Asanov, Igor P; Vyalikh, Denis V; Bulusheva, Lyubov G

    2013-01-22

    Highly oriented pyrolytic graphite characterized by a low misorientation of crystallites is fluorinated using a gaseous mixture of BrF(3) with Br(2) at room temperature. The golden-colored product, easily delaminating into micrometer-size transparent flakes, is an intercalation compound where Br(2) molecules are hosted between fluorinated graphene layers of approximate C(2)F composition. To unravel the chemical bonding in semifluorinated graphite, we apply angle-resolved near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and quantum-chemical modeling. The strong angular dependence of the CK and FK edge NEXAFS spectra on the incident radiation indicates that room-temperature-produced graphite fluoride is a highly anisotropic material, where half of the carbon atoms are covalently bonded with fluorine, while the rest of the carbon atoms preserve π electrons. Comparison of the experimental CK edge spectrum with theoretical spectra plotted for C(2)F models reveals that fluorine atoms are more likely to form chains. This conclusion agrees with the atomic force microscopy observation of a chain-like pattern on the surface of graphite fluoride layers. PMID:23214423

  9. 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...

  10. Charge reorganization energy and small polaron binding energy of rubrene thin films by ultraviolet photoelectron spectroscopy.

    Science.gov (United States)

    Duhm, Steffen; Xin, Qian; Hosoumi, Shunsuke; Fukagawa, Hirohiko; Sato, Kazushi; Ueno, Nobuo; Kera, Satoshi

    2012-02-14

    The hole–phonon coupling of a rubrene monolayer on graphite is measured by means of angle resolved ultraviolet photoelectron spectroscopy. Thus, the charge reorganization energy λ and the small polaron binding energy is determined, which allows insight into the nature of charge transport in condensed rubrene. PMID:22403829

  11. Photoelectron photoion molecular beam spectroscopy

    International Nuclear Information System (INIS)

    The use of supersonic molecular beams in photoionization mass spectroscopy and photoelectron spectroscopy to assist in the understanding of photoexcitation in the vacuum ultraviolet is described. Rotational relaxation and condensation due to supersonic expansion were shown to offer new possibilities for molecular photoionization studies. Molecular beam photoionization mass spectroscopy has been extended above 21 eV photon energy by the use of Stanford Synchrotron Radiation Laboratory (SSRL) facilities. Design considerations are discussed that have advanced the state-of-the-art in high resolution vuv photoelectron spectroscopy. To extend gas-phase studies to 160 eV photon energy, a windowless vuv-xuv beam line design is proposed

  12. Photoelectron spectroscopy principles and applications

    CERN Document Server

    Hüfner, Stefan

    1995-01-01

    Photoelectron Spectroscopy presents an up-to-date introduction to the field by treating comprehensively the electronic structures of atoms, molecules, solids and surfaces Brief descriptions are given of inverse photoemission, spin-polarized photoemission and photoelectron diffraction Experimental aspects are considered throughout the book, and the results are carefully interpreted by theory A wealth of measured data is presented in the form of tables for easy use by experimentalists

  13. Electronic structure studies of ferro-pnictide superconductors and their parent compounds using angle-resolved photoemission spectroscopy (ARPES)

    Energy Technology Data Exchange (ETDEWEB)

    Setti, Thirupathaiah

    2011-07-14

    The discovery of high temperature superconductivity in the iron pnictide compound LaO{sub 1-x}F{sub x}FeAs with T{sub c} = 26 K as created enormous interest in the high-T{sub c} superconductor community. So far, four prototypes of crystal structures have been found in the Fe-pnictide family. All four show a structural deformation followed or accompanied by a magnetic transition from a high temperature paramagnetic conductor to a low temperature antiferromagnetic metal whose transition temperature T{sub N} varies between the compounds. Charge carrier doping, isovalent substitution of the As atoms or the application of pressure suppresses the antiferromagnetic spin density wave (SDW) order and leads to a superconducting phase. More recently high Tc superconductivity has been also detected in iron chalchogenides with similar normal state properties. Since superconductivity is instability of the normal state, the study of normal state electronic structure in comparison with superconducting state could reveal important information on the pairing mechanism. Therefore, it is most important to study the electronic structure of these new superconductors, i.e., to determine Fermi surfaces and band dispersions near the Fermi level at the high symmetry points in order to obtain a microscopic understanding of the superconducting properties. Using the technique angle-resolved photoemission spectroscopy (ARPES) one measures the electrons ejected from a sample when photons impinge on it. In this way one can map the Fermi surface which provides useful information regarding the physics behind the Fermi surface topology of high T{sub c} superconductors. Furthermore, this technique provides information on the band dispersion, the orbital character of the bands, the effective mass, the coupling to bosonic excitations, and the superconducting gap. This emphasizes the importance of studying the electronic structure of the newly discovered Fe-pnictides using ARPES. In this work we have

  14. Spin- and angle-resolved photoemission spectroscopy study of the Au(1 1 1) Shockley surface state

    Energy Technology Data Exchange (ETDEWEB)

    Muntwiler, Matthias E-mail: m.muntwiler@physik.unizh.ch; Hoesch, Moritz; Petrov, Vladimir N.; Hengsberger, Matthias; Patthey, Luc; Shi Ming; Falub, Mihaela; Greber, Thomas; Osterwalder, Juerg

    2004-07-01

    The spin character of the splitting of the Shockley surface state on Au(111) is directly verified by measurements of the in-plane and out-of-plane spin polarizations in angle-resolved photoemission spectra. The two parabolic sub-bands that are momentum-shifted with respect to each other, reveal a distinct, opposite spin polarization that within the errors lies in the surface plane. The measured in-plane orientation of the spin vectors is consistent with the simple spin structure expected from a nearly-free-electron model, where the polarization axis is tangential to the Fermi surface of the surface state.

  15. Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Freericks, J. K.; Krishnamurthy, H. R.; Sentef, M. A.; Devereaux, T. P.

    2015-10-01

    Nonequilibrium calculations in the presence of an electric field are usually performed in a gauge, and need to be transformed to reveal the gauge-invariant observables. In this work, we discuss the issue of gauge invariance in the context of time-resolved angle-resolved pump/probe photoemission. If the probe is applied while the pump is still on, one must ensure that the calculations of the observed photocurrent are gauge invariant. We also discuss the requirement of the photoemission signal to be positive and the relationship of this constraint to gauge invariance. We end by discussing some technical details related to the perturbative derivation of the photoemission spectra, which involve processes where the pump pulse photoexcites electrons due to nonequilibrium effects.

  16. Angular distribution and atomic effects in condensed phase photoelectron spectroscopy

    International Nuclear Information System (INIS)

    A general concept of condensed phase photoelectron spectroscopy is that angular distribution and atomic effects in the photoemission intensity are determined by different mechanisms, the former being determined largely by ordering phenomena such as crystal momentum conservation and photoelectron diffraction while the latter are manifested in the total (angle-integrated) cross section. In this work, the physics of the photoemission process is investigated in several very different experiments to elucidate the mechanisms of, and correlation between, atomic and angular distribution effects. Theoretical models are discussed and the connection betweeen the two effects is clearly established. The remainder of this thesis, which describes experiments utilizing both angle-resolved and angle-integrated photoemission in conjunction with synchrotron radiation in the energy range 6 eV less than or equal to h ν less than or equal to 360 eV and laboratory sources, is divided into three parts

  17. Anomalous asymmetry in the Fermi surface of the high-temperature superconductor YBa2Cu4O8 revealed by angle-resolved photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kondo, Takeshi; Khasanov, R.; Sassa, Y.; Bendounan, A.; Paihes, S.; Chang, J.; Mesot, J.; Keller, H.; Zhigadlo, N.D.; Shi, M.; Bukowski, Z.; Karpinski, J.; Kaminski, A.

    2009-09-15

    We use microprobe angle-resolved photoemission spectroscopy to study the Fermi surface and band dispersion of the CuO{sub 2} planes in the high-temperature superconductor, YBa{sub 2}Cu{sub 4}O{sub 8}. We find a strong in-plane asymmetry of the electronic structure between directions along a and b axes. The saddle point of the antibonding band lies at a significantly higher energy in the a direction ({pi},0) than the b direction (0,{pi}), whereas the bonding band displays the opposite behavior. We demonstrate that the abnormal band shape is due to a strong asymmetry of the bilayer band splitting, likely caused by a nontrivial hybridization between the planes and chains. This asymmetry has an important implication for interpreting key properties of the Y-Ba-Cu-O family, especially the superconducting gap, transport, and results of inelastic neutron scattering.

  18. Angle-resolved photoemission spectroscopy with 9-eV photon-energy pulses generated in a gas-filled hollow-core photonic crystal fiber

    International Nuclear Information System (INIS)

    A recently developed source of ultraviolet radiation, based on optical soliton propagation in a gas-filled hollow-core photonic crystal fiber, is applied here to angle-resolved photoemission spectroscopy (ARPES). Near-infrared femtosecond pulses of only few μJ energy generate vacuum ultraviolet radiation between 5.5 and 9 eV inside the gas-filled fiber. These pulses are used to measure the band structure of the topological insulator Bi2Se3 with a signal to noise ratio comparable to that obtained with high order harmonics from a gas jet. The two-order-of-magnitude gain in efficiency promises time-resolved ARPES measurements at repetition rates of hundreds of kHz or even MHz, with photon energies that cover the first Brillouin zone of most materials

  19. Angle-resolved photoemission spectroscopy with 9-eV photon-energy pulses generated in a gas-filled hollow-core photonic crystal fiber

    CERN Document Server

    Bromberger, H; Belli, F; Liu, H; Calegari, F; Chavez-Cervantes, M; Li, M T; Lin, C T; Abdolvand, A; Russell, P St J; Cavalleri, A; Travers, J C; Gierz, I

    2015-01-01

    A recently developed source of ultraviolet radiation, based on optical soliton propagation in a gas-filled hollow-core photonic crystal fiber, is applied here to angle-resolved photoemission spectroscopy (ARPES). Near-infrared femtosecond pulses of only few {\\mu}J energy generate vacuum ultraviolet (VUV) radiation between 5.5 and 9 eV inside the gas-filled fiber. These pulses are used to measure the band structure of the topological insulator Bi2Se3 with a signal to noise ratio comparable to that obtained with high order harmonics from a gas jet. The two-order-of-magnitude gain in efficiency promises time-resolved ARPES measurements at repetition rates of hundreds of kHz or even MHz, with photon energies that cover the first Brillouin zone of most materials.

  20. Angle-resolved photoemission spectroscopy with 9-eV photon-energy pulses generated in a gas-filled hollow-core photonic crystal fiber

    Energy Technology Data Exchange (ETDEWEB)

    Bromberger, H., E-mail: Hubertus.Bromberger@mpsd.mpg.de; Liu, H.; Chávez-Cervantes, M.; Gierz, I. [Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg (Germany); Ermolov, A.; Belli, F.; Abdolvand, A.; Russell, P. St. J.; Travers, J. C. [Max Planck Institute for the Science of Light, Günther-Scharowsky-Str. 1, 91058 Erlangen (Germany); Calegari, F. [Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg (Germany); Institute for Photonics and Nanotechnologies, IFN-CNR, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Li, M. T.; Lin, C. T. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Cavalleri, A. [Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg (Germany); Clarendon Laboratory, Department of Physics, University of Oxford, Parks Rd. Oxford OX1 3PU (United Kingdom)

    2015-08-31

    A recently developed source of ultraviolet radiation, based on optical soliton propagation in a gas-filled hollow-core photonic crystal fiber, is applied here to angle-resolved photoemission spectroscopy (ARPES). Near-infrared femtosecond pulses of only few μJ energy generate vacuum ultraviolet radiation between 5.5 and 9 eV inside the gas-filled fiber. These pulses are used to measure the band structure of the topological insulator Bi{sub 2}Se{sub 3} with a signal to noise ratio comparable to that obtained with high order harmonics from a gas jet. The two-order-of-magnitude gain in efficiency promises time-resolved ARPES measurements at repetition rates of hundreds of kHz or even MHz, with photon energies that cover the first Brillouin zone of most materials.

  1. Angle-resolved photoemission extended fine structure

    International Nuclear Information System (INIS)

    Measurements of the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) from the S(1s) core level of a c(2 x 2)S/Ni(001) are analyzed to determine the spacing between the S overlayer and the first and second Ni layers. ARPEFS is a type of photoelectron diffraction measurement in which the photoelectron kinetic energy is swept typically from 100 to 600 eV. By using this wide range of intermediate energies we add high precision and theoretical simplification to the advantages of the photoelectron diffraction technique for determining surface structures. We report developments in the theory of photoelectron scattering in the intermediate energy range, measurement of the experimental photoemission spectra, their reduction to ARPEFS, and the surface structure determination from the ARPEFS by combined Fourier and multiple-scattering analyses. 202 refs., 67 figs., 2 tabs

  2. Fermi surface of MoO2 studied by angle-resolved photoemission spectroscopy, de Haas-van Alphen measurements, and electronic structure calculations

    Science.gov (United States)

    Moosburger-Will, Judith; Kündel, Jörg; Klemm, Matthias; Horn, Siegfried; Hofmann, Philip; Schwingenschlögl, Udo; Eyert, Volker

    2009-03-01

    A comprehensive study of the electronic properties of monoclinic MoO2 from both an experimental and a theoretical point of view is presented. We focus on the investigation of the Fermi body and the band structure using angle-resolved photoemission spectroscopy, de Haas-van Alphen measurements, and electronic structure calculations. For the latter, the full-potential augmented spherical wave method has been applied. Very good agreement between the experimental and theoretical results is found. In particular, all Fermi surface sheets are correctly identified by all three approaches. Previous controversies concerning additional holelike surfaces centered around the Z and B points could be resolved; these surfaces were artifacts of the atomic-sphere approximation used in the old calculations. Our results underline the importance of electronic structure calculations for the understanding of MoO2 and the neighboring rutile-type early transition-metal dioxides. This includes the low-temperature insulating phases of VO2 and NbO2 , which have crystal structures very similar to that of molybdenum dioxide and display the well-known prominent metal-insulator transitions.

  3. Orbital character and electron correlation effects on two- and three-dimensional Fermi surfaces in KFe2As2 revealed by angle-resolved photoemission spectroscopy

    Directory of Open Access Journals (Sweden)

    Teppei eYoshida

    2014-04-01

    Full Text Available We have investigated orbital character and electron correlation effects on Fermi surfaces in the hole-overdoped iron pnictide superconductor KFe2As2, which shows a low Tc of ~4 K, by angle-resolved photoemission spectroscopy. From the polarization-dependence of the ARPES spectra, we have determined the orbital character of each Fermi surface. Electron mass renormalization of each band is quantitatively consistent with de Haas-van Alphen results. The outer beta and middle zeta Fermi surfaces show large renormalization factor of m*/mb ~6-7, while the inner Fermi surface has a smaller factor m*/mb ~2. Middle hole Fermi surface zeta has strong three-dimensionality compared to other Fermi surfaces, indicating the d3z2-r2 orbital character, which may be related to the octet-line nodes recently observed by laser ARPES. The observed orbital-dependent mass renormalization would give constraints on the pairing mechanism with line nodes of this system.

  4. Rapid high-resolution spin- and angle-resolved photoemission spectroscopy with pulsed laser source and time-of-flight spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Gotlieb, K. [Graduate Group in Applied Science and Technology, University of California, Berkeley, California 94720 (United States); Hussain, Z.; Bostwick, A.; Jozwiak, C. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Lanzara, A. [Department of Physics, University of California, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2013-09-15

    A high-efficiency spin- and angle-resolved photoemission spectroscopy (spin-ARPES) spectrometer is coupled with a laboratory-based laser for rapid high-resolution measurements. The spectrometer combines time-of-flight (TOF) energy measurements with low-energy exchange scattering spin polarimetry for high detection efficiencies. Samples are irradiated with fourth harmonic photons generated from a cavity-dumped Ti:sapphire laser that provides high photon flux in a narrow bandwidth, with a pulse timing structure ideally matched to the needs of the TOF spectrometer. The overall efficiency of the combined system results in near-E{sub F} spin-resolved ARPES measurements with an unprecedented combination of energy resolution and acquisition speed. This allows high-resolution spin measurements with a large number of data points spanning multiple dimensions of interest (energy, momentum, photon polarization, etc.) and thus enables experiments not otherwise possible. The system is demonstrated with spin-resolved energy and momentum mapping of the L-gap Au(111) surface states, a prototypical Rashba system. The successful integration of the spectrometer with the pulsed laser system demonstrates its potential for simultaneous spin- and time-resolved ARPES with pump-probe based measurements.

  5. Rapid high-resolution spin- and angle-resolved photoemission spectroscopy with pulsed laser source and time-of-flight spectrometer

    Science.gov (United States)

    Gotlieb, K.; Hussain, Z.; Bostwick, A.; Lanzara, A.; Jozwiak, C.

    2013-09-01

    A high-efficiency spin- and angle-resolved photoemission spectroscopy (spin-ARPES) spectrometer is coupled with a laboratory-based laser for rapid high-resolution measurements. The spectrometer combines time-of-flight (TOF) energy measurements with low-energy exchange scattering spin polarimetry for high detection efficiencies. Samples are irradiated with fourth harmonic photons generated from a cavity-dumped Ti:sapphire laser that provides high photon flux in a narrow bandwidth, with a pulse timing structure ideally matched to the needs of the TOF spectrometer. The overall efficiency of the combined system results in near-EF spin-resolved ARPES measurements with an unprecedented combination of energy resolution and acquisition speed. This allows high-resolution spin measurements with a large number of data points spanning multiple dimensions of interest (energy, momentum, photon polarization, etc.) and thus enables experiments not otherwise possible. The system is demonstrated with spin-resolved energy and momentum mapping of the L-gap Au(111) surface states, a prototypical Rashba system. The successful integration of the spectrometer with the pulsed laser system demonstrates its potential for simultaneous spin- and time-resolved ARPES with pump-probe based measurements.

  6. Quantum Transport and Nano Angle-resolved Photoemission Spectroscopy on the Topological Surface States of Single Sb2Te3 Nanowires

    Science.gov (United States)

    Arango, Yulieth C.; Huang, Liubing; Chen, Chaoyu; Avila, Jose; Asensio, Maria C.; Grützmacher, Detlev; Lüth, Hans; Lu, Jia Grace; Schäpers, Thomas

    2016-09-01

    We report on low-temperature transport and electronic band structure of p-type Sb2Te3 nanowires, grown by chemical vapor deposition. Magnetoresistance measurements unravel quantum interference phenomena, which depend on the cross-sectional dimensions of the nanowires. The observation of periodic Aharonov-Bohm-type oscillations is attributed to transport in topologically protected surface states in the Sb2Te3 nanowires. The study of universal conductance fluctuations demonstrates coherent transport along the Aharonov-Bohm paths encircling the rectangular cross-section of the nanowires. We use nanoscale angle-resolved photoemission spectroscopy on single nanowires (nano-ARPES) to provide direct experimental evidence on the nontrivial topological character of those surface states. The compiled study of the bandstructure and the magnetotransport response unambiguosly points out the presence of topologically protected surface states in the nanowires and their substantial contribution to the quantum transport effects, as well as the hole doping and Fermi velocity among other key issues. The results are consistent with the theoretical description of quantum transport in intrinsically doped quasi-one-dimensional topological insulator nanowires.

  7. Si(111)-sq root 21 x sq root 21 -(Ag+Cs) surface studied by scanning tunneling microscopy and angle-resolved photoemission spectroscopy

    CERN Document Server

    Liu, C; Morikawa, H; Okino, H; Hasegawa, S; Okuda, T; Kinoshita, T

    2003-01-01

    Scanning tunneling microscopy (STM) and angle-resolved photoemission spectroscopy (ARPES) were used to study the atomic and electronic structures of the Si(111)-sq root 21 x sq root 21-(Ag + Cs) surface (sq root 21-Cs in short), which was induced by depositing caesium atoms on the Si(111)-sq root 3 x sq root 3-Ag surface at room temperature (RT). Compared with previously reported STM images of noble-metal induced sq root 21 x sq root 21 phases including the Si(111)-sq root 21 x sq root 21-(Ag+Ag) and Si(111)-sq root 21 x sq root 21-(Ag+Au) surfaces (sq root 21-Ag and sq root 21-Au, respectively), the sq root 21-Cs surface displayed quite different features in STM images. The ARPES data of the sq root 21-Cs surface revealed an intrinsic dispersive surface-state band, together with a non-dispersive one near the Fermi level, which was also different from those of the sq root 21-Ag and sq root 21-Au surfaces. These results strongly suggest different atomic arrangements between Cs- and noble-metal induced sq root ...

  8. Angle-resolved photoemission studies of the CdTe(110) surface

    Science.gov (United States)

    Qu, H.; Kanski, J.; Nilsson, P. O.; Karlsson, U. O.

    1991-06-01

    The electronic structure of the CdTe(110) surface has been studied with angle-resolved photoelectron spectroscopy using synchrotron radiation. An empirical tight-binding linar combination of atomic orbitals band structure has been derived, based on normal-emission spectra. Several, previously unreported, surface-related states have been observed in off-normal emission, and their dispersions have been mapped along symmetry directions of the surface Brillouin zone.

  9. Direct angle resolved photoelectron spectroscopy (DARPES) on high-T{sub c} films: doping, strains, Fermi surface topology and superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Pavuna, D; Ariosa, D; Cancellieri, C; Cloetta, D; Abrecht, M [Institute of Physics of Complex Matter, FSB, Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)], E-mail: davor.pavuna@epfl.ch

    2008-03-15

    Since 1997 we systematically perform Direct ARPES ( = DARPES) on in-situ grown, non-cleaved, ultra-thin (<25nm) cuprate films. Specifically, we probe low energy electronic structure and properties of high-T{sub c} films under different degree of epitaxial (compressive vs tensile) strain. In overdoped in-plane compressed La{sub 2-x}Sr{sub x}CuO{sub 4} (LSCO) thin films we double T{sub c} from 20K to 40K, yet the Fermi surface (FS) remains essentially 2-dimensional (2D). In contrast, tensile strained films show 3-dimensional (3D) dispersion, while T{sub c} is drastically reduced. It seems that the in-plane compressive strain tends to push the apical oxygen far away from the CuO{sub 2} plane, enhances the 2D character of the dispersion and increases T{sub c}, while the tensile strain seems to act exactly in the opposite direction and the resulting dispersion is 3D. We have the FS topology for both cases. As the actual lattice of cuprates is 'Napoleon-cake' -like i.e. rigid CuO{sub 2} planes alternate with softer 'reservoir' (that strains distort differently) our results tend to rule out 2D rigid lattice mean field models. Finally, we briefly discuss recent successful determination of the FS topology from the observed wavevector quantization by DARPES in cuprate films thinner than 18 units cells (<24nm). Such an approach is of broader interest as it can be extended to other similar confined (ultra-thin) functional oxide systems.

  10. Direct angle resolved photoelectron spectroscopy (DARPES) on high-Tc films: doping, strains, Fermi surface topology and superconductivity

    Science.gov (United States)

    Pavuna, D.; Ariosa, D.; Cancellieri, C.; Cloetta, D.; Abrecht, M.

    2008-03-01

    Since 1997 we systematically perform Direct ARPES ( = DARPES) on in-situ grown, non-cleaved, ultra-thin (<25nm) cuprate films. Specifically, we probe low energy electronic structure and properties of high-Tc films under different degree of epitaxial (compressive vs tensile) strain. In overdoped in-plane compressed La2-xSrxCuO4 (LSCO) thin films we double Tc from 20K to 40K, yet the Fermi surface (FS) remains essentially 2-dimensional (2D). In contrast, tensile strained films show 3-dimensional (3D) dispersion, while Tc is drastically reduced. It seems that the in-plane compressive strain tends to push the apical oxygen far away from the CuO2 plane, enhances the 2D character of the dispersion and increases Tc, while the tensile strain seems to act exactly in the opposite direction and the resulting dispersion is 3D. We have the FS topology for both cases. As the actual lattice of cuprates is 'Napoleon-cake' -like i.e. rigid CuO2 planes alternate with softer 'reservoir' (that strains distort differently) our results tend to rule out 2D rigid lattice mean field models. Finally, we briefly discuss recent successful determination of the FS topology from the observed wavevector quantization by DARPES in cuprate films thinner than 18 units cells (<24nm). Such an approach is of broader interest as it can be extended to other similar confined (ultra-thin) functional oxide systems.

  11. Doping Dependence of the $(\\pi,\\pi)$ Shadow Band in La-Based Cuprates Studied by Angle-Resolved Photoemission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Z. X.

    2011-08-15

    The ({pi},{pi}) shadow band (SB) in La-based cuprate family (La214) was studied by angle-resolved photoemission spectroscopy (ARPES) over a wide doping range from x = 0.01 to x = 0.25. Unlike the well-studied case of the Bi-based cuprate family, an overall strong, monotonic doping dependence of the SB intensity at the Fermi level (E{sub F}) was observed. In contrast to a previous report for the presence of the SB only close to x = 1/8, we found it exists in a wide doping range, associated with a doping-independent ({pi},{pi}) wave vector but strongly doping-dependent intensity: It is the strongest at x {approx} 0.03 and systematically diminishes as the doping increases until it becomes negligible in the overdoped regime. This SB with the observed doping dependence of intensity can in principle be caused by the antiferromagnetic fluctuations or a particular form of low-temperature orthorhombic lattice distortion known to persist up to x {approx} 0.21 in the system, with both being weakened with increasing doping. However, a detailed binding energy dependent analysis of the SB at x = 0.07 does not appear to support the former interpretation, leaving the latter as a more plausible candidate, despite a challenge in quantitatively linking the doping dependences of the SB intensity and the magnitude of the lattice distortion. Our finding highlights the necessity of a careful and global consideration of the inherent structural complications for correctly understanding the cuprate Fermiology and its microscopic implication.

  12. Angle-Resolved Photoemission of Solvated Electrons in Sodium-Doped Clusters

    CERN Document Server

    West, Adam H C; Luckhaus, David; Saak, Clara-Magdalena; Doppelbauer, Maximilian; Signorell, Ruth

    2015-01-01

    Angle-resolved photoelectron spectroscopy of the unpaired electron in sodium-doped water, methanol, ammonia, and dimethyl ether clusters is presented. The experimental observations and the complementary calculations are consistent with surface electrons for the cluster size range studied. Evidence against internally solvated electrons is provided by the photoelectron angular distribution. The trends in the ionization energies seem mainly determined by the degree of hydrogen bonding in the solvent and the solvation of the ion core. The onset ionization energies of water and methanol clusters do not level off at small cluster sizes, but decrease slightly with increasing cluster size.

  13. High-throughput Toroidal Grating Beamline for Photoelectron Spectroscopy at CAMD

    Science.gov (United States)

    Kizilkaya, O; Jiles, R W; Patterson, M C; Thibodeaux, C A; Poliakoff, E D; Sprunger, P T; Kurtz, R L; Morikawa, E

    2016-01-01

    A 5 meter toroidal grating (5m-TGM) beamline has been commissioned to deliver 28 mrad of bending magnet radiation to an ultrahigh vacuum endstation chamber to facilitate angle resolved photoelectron spectroscopy. The 5m-TGM beamline is equipped with Au-coated gratings with 300, 600 and 1200 lines/mm providing monochromatized synchrotron radiation in the energy ranges 25-70 eV, 50–120 eV and 100–240 eV, respectively. The beamline delivers excellent flux (~1014-1017 photons/sec/100mA) and a combined energy resolution of 189 meV for the beamline (at 1.0 mm slit opening) and HA-50 hemispherical analyzer was obtained at the Fermi level of polycrystalline gold crystal. Our preliminary photoelectron spectroscopy results of phenol adsorption on TiO2 (110) surface reveals the metal ion (Ti) oxidation. PMID:27134636

  14. Experimental electronic structure and Fermi-surface instability of the correlated 3d sulphide BaVS3 : High-resolution angle-resolved photoemission spectroscopy

    Science.gov (United States)

    Mitrovic, S.; Fazekas, P.; Søndergaard, C.; Ariosa, D.; Barišić, N.; Berger, H.; Cloëtta, D.; Forró, L.; Höchst, H.; Kupčić, I.; Pavuna, D.; Margaritondo, G.

    2007-04-01

    The correlated 3d sulphide BaVS3 exhibits an interesting coexistence of one-dimensional and three-dimensional properties. Our experiments determine the electronic band structure and shed light on this puzzle. High-resolution angle-resolved photoemission measurements in a 4-eV -wide range below the Fermi energy level uncover and investigate the coexistence of a1g wide-band and eg narrow-band d electrons, which lead to the complicated electronic properties of this material. We explore the effects of strong correlations and the Fermi surface instability associated with the metal-insulator transition.

  15. Photoelectron Spectroscopy in Advanced Placement Chemistry

    Science.gov (United States)

    Benigna, James

    2014-01-01

    Photoelectron spectroscopy (PES) is a new addition to the Advanced Placement (AP) Chemistry curriculum. This article explains the rationale for its inclusion, an overview of how the PES instrument records data, how the data can be analyzed, and how to include PES data in the course. Sample assessment items and analysis are included, as well as…

  16. Photoelectron spectroscopy of heavy atoms and molecules

    International Nuclear Information System (INIS)

    The importance of relativistic interactions in the photoionization of heavy atoms and molecules has been investigated by the technique of photoelectron spectroscopy. In particular, experiments are reported which illustrate the effects of the spin-orbit interaction in the neutral ground state, final ionic states and continuum states of the photoionization target

  17. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ([IHI] and [FH{sub 2}]). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  18. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ((IHI) and (FH{sub 2})). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  19. Anion photoelectron spectroscopy of radicals and clusters

    Energy Technology Data Exchange (ETDEWEB)

    Travis, Taylor R.

    1999-12-16

    Anion photoelectron spectroscopy is used to study free radicals and clusters. The low-lying {sup 2}{Sigma} and {sup 2}{Pi} states of C{sub 2n}H (n = 1--4) have been studied. The anion photoelectron spectra yielded electron affinities, term values, and vibrational frequencies for these combustion and astrophysically relevant species. Photoelectron angular distributions allowed the author to correctly assign the electronic symmetry of the ground and first excited states and to assess the degree of vibronic coupling in C{sub 2}H and C{sub 4}H. Other radicals studied include NCN and I{sub 3}. The author was able to observe the low-lying singlet and triplet states of NCN for the first time. Measurement of the electron affinity of I{sub 3} revealed that it has a bound ground state and attachment of an argon atom to this moiety enabled him to resolve the symmetric stretching progression.

  20. 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.

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

    International Nuclear Information System (INIS)

    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. First, aerosol photoemission studies can be performed for many different materials, including liquids. Second, 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

  2. Use of angle-resolved XPS to determine depth profiles based on Fick's second law of diffusion: description of method and simulation study

    International Nuclear Information System (INIS)

    An iterative algorithm is proposed to extract depth profiles based on Fick's second law of diffusion in a multi-element system from data supplied by angle-resolved X-ray photoelectron spectroscopy (ARXPS). Parameters related to the concentration profiles are obtained by fitting the experimental angle-dependent relative photoelectron intensities to predictions from the algorithm. The use of relative instead of absolute photoelectron intensities eliminates error due to changes in absolute photoelectron intensities resulting from the change of system geometries in angle-resolved experiments. Simulations using an infinite source diffusion model have been conducted to study the influence of errors in the raw data and to demonstrate the robustness of the algorithm. The algorithm is tested based on preliminary experimental ARXPS data from a chemically treated polymer film

  3. Electronic structure of transition metal dichalcogenides PdTe2 and Cu0.05PdTe2 superconductors obtained by angle-resolved photoemission spectroscopy

    Science.gov (United States)

    Liu, Yan; Zhao, Jian-Zhou; Yu, Li; Lin, Cheng-Tian; Hu, Cheng; Liu, De-Fa; Peng, Ying-Ying; Xie, Zhuo-Jin; He, Jun-Feng; Chen, Chao-Yu; Feng, Ya; Yi, He-Mian; Liu, Xu; Zhao, Lin; He, Shao-Long; Liu, Guo-Dong; Dong, Xiao-Li; Zhang, Jun; Chen, Chuang-Tian; Xu, Zu-Yan; Weng, Hong-Ming; Dai, Xi; Fang, Zhong; Zhou, Xing-Jiang

    2015-06-01

    The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great attention recently, either for the discovery of novel phenomena or some extreme or exotic physical properties, or for their potential applications. PdTe2 is a superconductor in the class of transition metal dichalcogenides, and superconductivity is enhanced in its Cu-intercalated form, Cu0.05PdTe2. It is important to study the electronic structures of PdTe2 and its intercalated form in order to explore for new phenomena and physical properties and understand the related superconductivity enhancement mechanism. Here we report systematic high resolution angle-resolved photoemission (ARPES) studies on PdTe2 and Cu0.05PdTe2 single crystals, combined with the band structure calculations. We present in detail for the first time the complex multi-band Fermi surface topology and densely-arranged band structure of these compounds. By carefully examining the electronic structures of the two systems, we find that Cu-intercalation in PdTe2 results in electron-doping, which causes the band structure to shift downwards by nearly 16 meV in Cu0.05PdTe2. Our results lay a foundation for further exploration and investigation on PdTe2 and related superconductors. Project supported by the National Natural Science Foundation of China (Grant No. 11190022), the National Basic Research Program of China (Grant Nos. 2011CB921703 and 2011CBA00110), and the Strategic Priority Research Program (B) of the Chinese Academy of Sciences (Grant No. XDB07020300).

  4. Electronic structure of MoSe2, MoS2, and WSe2. I. Band-structure calculations and photoelectron spectroscopy

    OpenAIRE

    Coehoorn, R.; Haas, C.; Dijkstra, J.; Flipse, C.J.F.; de Groot, R. A.; Wold, A.

    1987-01-01

    The band structures of the semiconducting layered compounds MoSe2, MoS2, and WSe2 have been calculated self-consistently with the augmented-spherical-wave method. Angle-resolved photoelectron spectroscopy of MoSe2 using He I, He II, and Ne I radiation, and photon-energy-dependent normal-emission photoelectron spectroscopy using synchrotron radiation, show that the calculational results give a good description of the valence-band structure. At about 1 eV below the top of the valence band a dis...

  5. Electronic structure, Dirac points and Fermi arc surface states in three-dimensional Dirac semimetal Na3Bi from angle-resolved photoemission spectroscopy

    Science.gov (United States)

    Aiji, Liang; Chaoyu, Chen; Zhijun, Wang; Youguo, Shi; Ya, Feng; Hemian, Yi; Zhuojin, Xie; Shaolong, He; Junfeng, He; Yingying, Peng; Yan, Liu; Defa, Liu; Cheng, Hu; Lin, Zhao; Guodong, Liu; Xiaoli, Dong; Jun, Zhang; M, Nakatake; H, Iwasawa; K, Shimada; M, Arita; H, Namatame; M, Taniguchi; Zuyan, Xu; Chuangtian, Chen; Hongming, Weng; Xi, Dai; Zhong, Fang; Xing-Jiang, Zhou

    2016-07-01

    The three-dimensional (3D) Dirac semimetals have linearly dispersive 3D Dirac nodes where the conduction band and valence band are connected. They have isolated 3D Dirac nodes in the whole Brillouin zone and can be viewed as a 3D counterpart of graphene. Recent theoretical calculations and experimental results indicate that the 3D Dirac semimetal state can be realized in a simple stoichiometric compound A 3Bi (A = Na, K, Rb). Here we report comprehensive high-resolution angle-resolved photoemission (ARPES) measurements on the two cleaved surfaces, (001) and (100), of Na3Bi. On the (001) surface, by comparison with theoretical calculations, we provide a proper assignment of the observed bands, and in particular, pinpoint the band that is responsible for the formation of the three-dimensional Dirac cones. We observe clear evidence of 3D Dirac cones in the three-dimensional momentum space by directly measuring on the k x –k y plane and by varying the photon energy to get access to different out-of-plane k z s. In addition, we reveal new features around the Brillouin zone corners that may be related with surface reconstruction. On the (100) surface, our ARPES measurements over a large momentum space raise an issue on the selection of the basic Brillouin zone in the (100) plane. We directly observe two isolated 3D Dirac nodes on the (100) surface. We observe the signature of the Fermi-arc surface states connecting the two 3D Dirac nodes that extend to a binding energy of ∼150 meV before merging into the bulk band. Our observations constitute strong evidence on the existence of the Dirac semimetal state in Na3Bi that are consistent with previous theoretical and experimental work. In addition, our results provide new information to clarify on the nature of the band that forms the 3D Dirac cones, on the possible formation of surface reconstruction of the (001) surface, and on the issue of basic Brillouin zone selection for the (100) surface. Project supported by the

  6. Angle Resolved Photoemission Spectroscopy Studies of the Mott Insulator to Superconductor Evolution in Ca2-xNaxCuO2Cl2

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Kyle Michael

    2005-09-02

    It is widely believed that many of the exotic physical properties of the high-T{sub c} cuprate superconductors arise from the proximity of these materials to the strongly correlated, antiferromagnetic Mott insulating state. Therefore, one of the fundamental questions in the field of high-temperature superconductivity is to understand the insulator-to-superconductor transition and precisely how the electronic structure of Mott insulator evolves as the first holes are doped into the system. This dissertation presents high-resolution, doping dependent angle-resolved photoemission (ARPES) studies of the cuprate superconductor Ca{sub 2-x}Na{sub x}CuO{sub 2}Cl{sub 2}, spanning from the undoped parent Mott insulator to a high-temperature superconductor with a T{sub c} of 22 K. A phenomenological model is proposed to explain how the spectral lineshape, the quasiparticle band dispersion, and the chemical potential all progress with doping in a logical and self-consistent framework. This model is based on Franck-Condon broadening observed in polaronic systems where strong electron-boson interactions cause the quasiparticle residue, Z, to be vanishingly small. Comparisons of the low-lying states to different electronic states in the valence band strongly suggest that the coupling of the photohole to the lattice (i.e. lattice polaron formation) is the dominant broadening mechanism for the lower Hubbard band states. Combining this polaronic framework with high-resolution ARPES measurements finally provides a resolution to the long-standing controversy over the behavior of the chemical potential in the high-T{sub c} cuprates. This scenario arises from replacing the conventional Fermi liquid quasiparticle interpretation of the features in the Mott insulator by a Franck-Condon model, allowing the reassignment of the position of the quasiparticle pole. As a function of hole doping, the chemical potential shifts smoothly into the valence band while spectral weight is transferred

  7. Momentum-Dependent Charge Transfer Excitations in Sr{sub {bold 2}}CuO {sub {bold 2}}Cl{sub {bold 2}} Angle-Resolved Electron Energy Loss Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y.Y.; Zhang, F.C.; Dravid, V.P.; Ng, K.K.; Klein, M.V.; Schnatterly, S.E.; Miller, L.L. [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States)]|[Science and Technology Center for Superconductivity, Northwestern University, Evanston, Illinois 60208 (United States)]|[Department of Physics, University of Cincinnati, Cincinnati, Ohio 45221 (United States)]|[Department of Physics, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)]|[Department of Physics, Science and Technology Center for Superconductivity, University of Illinois, Urbana, Illinois 61801 (United States)]|[Department of Physics, University of Virginia, Charlottesville, Virginia 22901 (United States)]|[Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States)

    1996-08-01

    Electron-hole pair excitations in the insulating cuprates Sr{sub 2}CuO{sub 2}Cl{sub 2} were investigated by angle-resolved electron energy loss spectroscopy. The optically allowed and optically forbidden transitions were observed to be strongly anisotropic in Cu-O{sub 2} plane. The former show a large energy dispersion {approximately}1.5 eV along [110], and the latter appear at a higher energy position ({approximately}4.5 eV) only along [100], but not along [110]. We interpret these results as transitions involving excitons. A small exciton model is examined to explain both the observed features. {copyright} {ital 1996 The American Physical Society.}

  8. Detection of ultrashort VUV radiation pulses using photoelectron spectroscopy at DELTA

    International Nuclear Information System (INIS)

    At the 1.5-GeV electron storage ring DELTA operated by the TU-Dortmund University, coherent VUV radiation is generated in a short-pulse facility based on the Coherent Harmonic Generation (CHG) scheme. In this scheme, a femtosecond laser pulse is used to induce a periodic modulation of the electron energy in an undulator. The energy modulation is converted to a density modulation in a dispersive section. The resulting electron microbunches radiate coherently at higher harmonics of the laser wavelength in a second undulator. The VUV beamline operated by the Forschungszentrum Juelich will be employed for pump-probe experiments. It comprises a plane-grating monochromator and a photoelectron spectrometer optimized for angle-resolved photoemission spectroscopy. While a dedicated setup was initially used during commissioning of the short-pulse facility, the CHG-generated pulses can now be characterized directly in the VUV beamline.

  9. Graphene Membranes for Atmospheric Pressure Photoelectron Spectroscopy.

    Science.gov (United States)

    Weatherup, Robert S; Eren, Baran; Hao, Yibo; Bluhm, Hendrik; Salmeron, Miquel B

    2016-05-01

    Atmospheric pressure X-ray photoelectron spectroscopy (XPS) is demonstrated using single-layer graphene membranes as photoelectron-transparent barriers that sustain pressure differences in excess of 6 orders of magnitude. The graphene serves as a support for catalyst nanoparticles under atmospheric pressure reaction conditions (up to 1.5 bar), where XPS allows the oxidation state of Cu nanoparticles and gas phase species to be simultaneously probed. We thereby observe that the Cu(2+) oxidation state is stable in O2 (1 bar) but is spontaneously reduced under vacuum. We further demonstrate the detection of various gas-phase species (Ar, CO, CO2, N2, O2) in the pressure range 10-1500 mbar including species with low photoionization cross sections (He, H2). Pressure-dependent changes in the apparent binding energies of gas-phase species are observed, attributable to changes in work function of the metal-coated grids supporting the graphene. We expect atmospheric pressure XPS based on this graphene membrane approach to be a valuable tool for studying nanoparticle catalysis.

  10. X-ray Photoelectron Spectroscopy Database (Version 4.1)

    Science.gov (United States)

    SRD 20 X-ray Photoelectron Spectroscopy Database (Version 4.1) (Web, free access)   The NIST XPS Database gives access to energies of many photoelectron and Auger-electron spectral lines. The database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines.

  11. Study of niobium oxidation by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    The chemical composition of thin oxide layers, grown on clean niobium, in low oxygen pressure, was studied by a surface analysis method: X-ray Photoelectron Spectroscopy. The purpose of this study was to find the best conditions for the building of Nb/Nb oxide/Pb Josephson junctions, and particularly to minimise the interface thickness during the formation of the insulator film (Nb2O5) on the metal (Nb). This interface is essentially formed by the monoxide (NbO) and dioxide (NbO2). Nb 3d XPS core level peak positions and area ratios (obtained by the signal decomposition) of the components of the total peak, were used to determine the presence of the different oxidation states II, IV and V, their relative abundance, oxide thicknesses and their depth distribution. All this information was extracted by a special numerical procedure

  12. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, S.E.

    1992-11-01

    The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound [yields] bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN[sup [minus

  13. Exploring the Electronic Structure and Chemical Homogeneity of Individual Bi2Te3 Nanowires by Nano-Angle-Resolved Photoemission Spectroscopy.

    Science.gov (United States)

    Krieg, Janina; Chen, Chaoyu; Avila, José; Zhang, Zeying; Sigle, Wilfried; Zhang, Hongbin; Trautmann, Christina; Asensio, Maria Carmen; Toimil-Molares, Maria Eugenia

    2016-07-13

    Due to their high surface-to-volume ratio, cylindrical Bi2Te3 nanowires are employed as model systems to investigate the chemistry and the unique conductive surface states of topological insulator nanomaterials. We report on nanoangle-resolved photoemission spectroscopy (nano-ARPES) characterization of individual cylindrical Bi2Te3 nanowires with a diameter of 100 nm. The nanowires are synthesized by electrochemical deposition inside channels of ion-track etched polymer membranes. Core level spectra recorded with submicron resolution indicate a homogeneous chemical composition along individual nanowires, while nano-ARPES intensity maps reveal the valence band structure at the single nanowire level. First-principles electronic structure calculations for chosen crystallographic orientations are in good agreement with those revealed by nano-ARPES. The successful application of nano-ARPES on single one-dimensional nanostructures constitutes a new avenue to achieve a better understanding of the electronic structure of topological insulator nanomaterials. PMID:27311702

  14. Threshold photoelectron spectroscopy of the imidogen radical

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Gustavo A., E-mail: gustavo.garcia@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Gans, Bérenger [Institut des Sciences Moléculaires d’Orsay, Univ Paris-Sud, CNRS, Bât 210, Univ Paris-Sud, 91405 Orsay Cedex (France); Tang, Xiaofeng [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Ward, Michael; Batut, Sébastien [PC2A, Université de Lille 1, UMR CNRS-USTL 8522, Cité Scientifique Bât. C11, F-59655 Villeneuve d’Ascq (France); Nahon, Laurent [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Fittschen, Christa [PC2A, Université de Lille 1, UMR CNRS-USTL 8522, Cité Scientifique Bât. C11, F-59655 Villeneuve d’Ascq (France); Loison, Jean-Christophe [ISM, Université de Bordeaux, CNRS, 351 cours de la Libération, 33405 Talence Cedex (France)

    2015-08-15

    We present the threshold photoelectron spectroscopy of the imidogen radical (NH) recorded in the photon energy region up to 1 eV above its first ionization threshold. The radical was produced by reaction of NH{sub 3} and F in a microwave discharge flow-tube and photoionized using vacuum ultraviolet (VUV) synchrotron radiation. A double imaging coincidence spectrometer was used to record mass-selected spectra and avoid contributions from the byproducts present in the reactor and background gas. The energy region includes the ground X{sup +2}Π and first electronically excited a{sup +4}Σ{sup −} states of NH{sup +}. Strong adiabatic transitions and weak vibrational progressions up to v{sup +} = 2 are observed for both electronic states. The rotational profile seen in the origin band has been modeled using existing neutral and cationic spectroscopic constants leading to a precise determination of the adiabatic ionization energy at 13.480 ± 0.002 eV.

  15. 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)

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

    International Nuclear Information System (INIS)

    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 MnF2 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

  17. A flat band at the chemical potential of a Fe1.03Te0.94S0.06 superconductor observed by angle-resolved photoemission spectroscopy.

    Science.gov (United States)

    Starowicz, P; Schwab, H; Goraus, J; Zajdel, P; Forster, F; Rak, J R; Green, M A; Vobornik, I; Reinert, F

    2013-05-15

    The electronic structure of superconducting Fe1.03Te0.94S0.06 has been studied by angle-resolved photoemission spectroscopy (ARPES). Experimental band topography is compared to the calculations using the methods of Korringa-Kohn-Rostoker (KKR) with the coherent potential approximation (CPA) and the linearized augmented plane wave with local orbitals (LAPW+LO) method. The region of the Γ point exhibits two hole pockets and a quasiparticle peak close to the chemical potential (μ) with undetectable dispersion. This flat band with mainly d(z)(2) orbital character is most likely formed by the top of the outer hole pocket or is evidence of a third hole band. It may cover up to 3% of the Brillouin zone volume and should give rise to a Van Hove singularity. Studies performed for various photon energies indicate that at least one of the hole pockets has a two-dimensional character. The apparently nondispersing peak at μ is clearly visible for 40 eV and higher photon energies, due to an effect of the photoionization cross-section rather than band dimensionality. Orbital characters calculated by LAPW+LO for stoichiometric FeTe do not reveal the flat dz(2) band but are in agreement with the experiment for the other dispersions around Γ in Fe1.03Te0.94S0.06.

  18. Quasiparticle dynamics across the full Brillouin zone of Bi2Sr2CaCu2O8+δ traced with ultrafast time and angle-resolved photoemission spectroscopy

    Directory of Open Access Journals (Sweden)

    Georgi L. Dakovski

    2015-09-01

    Full Text Available A hallmark in the cuprate family of high-temperature superconductors is the nodal-antinodal dichotomy. In this regard, angle-resolved photoemission spectroscopy (ARPES has proven especially powerful, providing band structure information directly in energy-momentum space. Time-resolved ARPES (trARPES holds great promise of adding ultrafast temporal information, in an attempt to identify different interaction channels in the time domain. Previous studies of the cuprates using trARPES were handicapped by the low probing energy, which significantly limits the accessible momentum space. Using 20.15 eV, 12 fs pulses, we show for the first time the evolution of quasiparticles in the antinodal region of Bi2Sr2CaCu2O8+δ and demonstrate that non-monotonic relaxation dynamics dominates above a certain fluence threshold. The dynamics is heavily influenced by transient modification of the electron-phonon interaction and phase space restrictions, in stark contrast to the monotonic relaxation in the nodal and off-nodal regions.

  19. Tagging multiphoton ionization events by two-dimensional photoelectron spectroscopy

    OpenAIRE

    de Groot, Mattijs; Broos, Jaap; Buma, Wybren Jan

    2007-01-01

    Two-dimensional photoelectron spectroscopy has been used to supply process-specific labels to multiphoton ionization events. Employing these tags, the authors can construct excitation and photoelectron spectra along predefined excitation routes in the neutral manifold and ionization routes to the ionic manifold from one single two-dimensional photoelectron spectrum. These results offer a novel way to elucidate the vibronic and dynamic properties of excited and ionic states. (c) 2007 American ...

  20. Zero kinetic energy photoelectron spectroscopy of triphenylene

    Energy Technology Data Exchange (ETDEWEB)

    Harthcock, Colin; Zhang, Jie; Kong, Wei, E-mail: wei.kong@oregonstate.edu [Department of Chemistry, Oregon State University, Corvallis, Oregon 97331 (United States)

    2014-06-28

    We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S{sub 1} of the neutral molecule is of A{sub 1}′ symmetry and is therefore electric dipole forbidden in the D{sub 3h} group. Consequently, there are no observable Franck-Condon allowed totally symmetric a{sub 1}′ vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E′ third electronically excited state S{sub 3}. The assignment of all vibrational bands as e′ symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C{sub 2v} and resulting in two nearly degenerate electronic states of A{sub 2} and B{sub 1} symmetry. Here we follow a crude treatment by assuming that all e′ vibrational modes resolve into b{sub 2} and a{sub 1} modes in the C{sub 2v} molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63 365 ± 7 cm{sup −1}. The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.

  1. Modeling angle-resolved photoemission of graphene and black phosphorus nano structures.

    Science.gov (United States)

    Park, Sang Han; Kwon, Soonnam

    2016-05-10

    Angle-resolved photoemission spectroscopy (ARPES) data on electronic structure are difficult to interpret, because various factors such as atomic structure and experimental setup influence the quantum mechanical effects during the measurement. Therefore, we simulated ARPES of nano-sized molecules to corroborate the interpretation of experimental results. Applying the independent atomic-center approximation, we used density functional theory calculations and custom-made simulation code to compute photoelectron intensity in given experimental setups for every atomic orbital in poly-aromatic hydrocarbons of various size, and in a molecule of black phosphorus. The simulation results were validated by comparing them to experimental ARPES for highly-oriented pyrolytic graphite. This database provides the calculation method and every file used during the work flow.

  2. Photoelectron spectroscopy as a tool of lignin chemistry

    International Nuclear Information System (INIS)

    Many efforts in systematic elucidation of lignin properties start from the properties of the lignin subunits. In this paper, the authors provide the vertical ionization potentials (IP) of a representative set of lignin model compound. Gas phase photoelectron spectroscopy enables them to determine ionization potentials and makes it possible to deduce the electron structure of molecules within the limitations of Koopman's theorem. They discuss reasons why photoelectron spectroscopy might be a valuable method for the study of lignin properties

  3. Angle-resolved photoelectron spectroscopy studies of the many-body effects in the electronic structure of high-T{sub c} cuprates

    Energy Technology Data Exchange (ETDEWEB)

    Inosov, Dmytro S.

    2008-06-18

    In the present work some steps are done towards understanding the anomalous effects observed in the single-particle excitation spectra of cuprates. First, the electronic properties of BSCCO are considered. The main result of this part of the work is a model of the Green's function that is later used for calculating the two-particle excitation spectrum. Then, the matrix element effects in the photoemission spectra of cuprates are discussed. After a general introduction to the problem, the thesis focuses on the recently discovered anomalous behavior of the ARPES spectra that partially originates from the momentum-dependent photoemission matrix element. The momentum- and excitation energy dependence of the anomalous high-energy dispersion, termed ''waterfalls'', is covered in full detail. Understanding the role of the matrix element effects in this phenomenon proves crucial, as they obstruct the view of the underlying excitation spectrum that is of indisputable interest. For the optimally doped bilayer Bi-based cuprate, the renormalized two-particle correlation function in the superconducting state is calculated from ARPES data within an itinerant model based on the random phase approximation (RPA). (orig.)

  4. Transfer of chirality from adsorbed chiral molecules to the substrates highlighted by circular dichroism in angle-resolved valence photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Contini, G.; Turchini, S.; Sanna, Simone;

    2012-01-01

    state, that the presence of molecular chiral domains induces asymmetry in the interaction with the substrate and locally transfers the chiral character to the underlying metal atoms participating in the adsorption process; combined information related to the asymmetry of the initial electronic state......Studies of self-assembled chiral molecules on achiral metallic surfaces have mostly focused on the determination of the geometry of adsorbates and their electronic structure. The aim of this paper is to provide direct information on the chirality character of the system and on the chirality......, which is expected to be chiral, and the final electronic state, which locally probes the asymmetry of the potential, has been obtained. Identification of chirality in the adsorption footprint sheds new light on the transfer of chirality from a chiral modifier to a symmetric metal surface and represents...

  5. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, S.E.

    1992-11-01

    The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound {yields} bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN{sup {minus}}, NCO{sup {minus}} and NCS{sup {minus}}. Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH{sub 3}0H,F + C{sub 2}H{sub 5}OH,F + OH and F + H{sub 2}. A time dependent framework for the simulation and interpretation of the bound {yields} free transition state photoelectron spectra is subsequently developed and applied to the hydrogen transfer reactions Br + HI, F + OH {yields} O({sup 3}P, {sup 1}D) + HF and F + H{sub 2}. The theoretical approach for the simulations is a fully quantum-mechanical wave packet propagation on a collinear model reaction potential surface. The connection between the wavepacket time evolution and the photoelectron spectrum is given by the time autocorrelation function. For the benchmark F + H{sub 2} system, comparisons with three-dimensional quantum calculations are made.

  6. Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

    International Nuclear Information System (INIS)

    The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ–Z, Γ–Y and Γ–T symmetry directions. The valence band maximum occurs nearly midway along the Γ–Z direction, at a binding energy of −0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4pz orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ–T direction. Detailed electronic structure analysis reveals the significance of the cation–anion 4p orbitals hybridization in the valence band dispersion of IV–VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis. (paper)

  7. Surface Reactions Studied by Synchrotron Based Photoelectron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hrbek, J.

    1998-11-03

    The goal of this article is to illustrate the use of synchrotron radiation for investigating surface chemical reactions by photoelectron spectroscopy. A brief introduction and background information is followed by examples of layer resolved spectroscopy, oxidation and sulfidation of metallic, semiconducting and oxide surfaces.

  8. Photoelectron spectrometer for attosecond spectroscopy of liquids and gases

    Energy Technology Data Exchange (ETDEWEB)

    Jordan, I.; Huppert, M.; Wörner, H. J., E-mail: hwoerner@ethz.ch [Laboratory of Physical Chemistry, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich (Switzerland); Brown, M. A. [Laboratory for Surface Science and Technology, Department of Materials, ETH Zurich, Vladimir-Prelog-Weg 5, 8093 Zurich (Switzerland); Bokhoven, J. A. van [Institute for Chemical and Bioengineering, ETH Zurich, Vladimir-Prelog-Weg 1, 8093 Zurich (Switzerland); Laboratory for Catalysis and Sustainable Chemistry, Paul Scherrer Institute, 5232 Villigen (Switzerland)

    2015-12-15

    A new apparatus for attosecond time-resolved photoelectron spectroscopy of liquids and gases is described. It combines a liquid microjet source with a magnetic-bottle photoelectron spectrometer and an actively stabilized attosecond beamline. The photoelectron spectrometer permits venting and pumping of the interaction chamber without affecting the low pressure in the flight tube. This pressure separation has been realized through a sliding skimmer plate, which effectively seals the flight tube in its closed position and functions as a differential pumping stage in its open position. A high-harmonic photon spectrometer, attached to the photoelectron spectrometer, exit port is used to acquire photon spectra for calibration purposes. Attosecond pulse trains have been used to record photoelectron spectra of noble gases, water in the gas and liquid states as well as solvated species. RABBIT scans demonstrate the attosecond resolution of this setup.

  9. Photoelectron spectroscopy of boron aluminum hydride cluster anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Gantefoer, Gerd; Bowen, Kit H., E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Li, Xiang [Center for Space Science and Technology, University of Maryland–Baltimore County, Baltimore, Maryland 21250 (United States); Kiran, Boggavarapu, E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry and Physics, McNeese State University, Lake Charles, Louisiana 70609 (United States); Kandalam, Anil K. [Department of Physics, West Chester University, West Chester, Pennsylvania 19383 (United States)

    2014-04-28

    Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations. Boron aluminum hydride cluster anions, B{sub x}Al{sub y}H{sub z}{sup −}, were generated in a pulsed arc cluster ionization source and identified by time-of-flight mass spectrometry. After mass selection, their photoelectron spectra were measured by a magnetic bottle-type electron energy analyzer. The resultant photoelectron spectra as well as calculations on a selected series of stoichiometries reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms.

  10. Band alignment of HfO2/AlN heterojunction investigated by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Ye, Gang; Wang, Hong; Ji, Rong

    2016-04-01

    The band alignment between AlN and Atomic-Layer-Deposited (ALD) HfO2 was determined by X-ray photoelectron spectroscopy (XPS). The shift of Al 2p core-levels to lower binding energies with the decrease of take-off angles θ indicated upward band bending occurred at the AlN surface. Based on the angle-resolved XPS measurements combined with numerical calculations, valence band discontinuity ΔEV of 0.4 ± 0.2 eV at HfO2/AlN interface was determined by taking AlN surface band bending into account. By taking the band gap of HfO2 and AlN as 5.8 eV and 6.2 eV, respectively, a type-II band line-up was found between HfO2 and AlN.

  11. Electronic Structure of EuAl4 Studied by Photoelectron Spectroscopy

    Science.gov (United States)

    Kobata, Masaaki; Fujimori, Shin-ichi; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Kobayashi, Keisuke; Yamagami, Hiroshi; Nakamura, Ai; Hedo, Masato; Nakama, Takao; Ōnuki, Yoshichika

    2016-09-01

    The electronic structure of the divalent Eu compound EuAl4, which shows a charge density wave transition at TCDW = 140 K, was studied by hard X-ray angle-integrated photoelectron spectroscopy (HAXPES) and soft X-ray angle-resolved photoelectron spectroscopy (ARPES). The valence band and core-level spectra obtained by HAXPES are consistent with the divalent nature of Eu atoms in EuAl4. From the ARPES results, the Fermi surface as well as band structure in the vicinity of the Fermi energy (EF) of EuAl4 are very similar to those of its isostructural divalent Sr compound SrAl4, which has no 4f electrons. This suggests that the Eu atoms are divalent in EuAl4, and the 4f electrons are localized below 1.8 eV with the Eu 4f7 electronic configuration in the ground state. The ARPES spectra measured along the Γ-(Σ)-Z high-symmetry line did not show significant temperature dependences above and below TCDW within the energy resolution of 80-90 meV. Moreover, the Fermi surface mapping along the kz direction showed that both EuAl4 and SrAl4 have mostly three-dimensional electronic structures, suggesting that the nesting of the Fermi surface is not simple. The Fermi surface and the band structure of EuAl4 were well explained by the band-structure calculation of SrAl4 based on the local density approximation.

  12. Angle-resolved photoemission study of Ag(1 1 1)

    Science.gov (United States)

    Edamoto, K.; Miyazaki, E.; Shimokoshi, K.; Kato, H.

    1990-01-01

    The (1 1 1) face of Ag has been studied by angle-resolved photoemission spectroscopy utilizing synchrotron radiation as the excitation source (25 FIRO method. The peak positions thus determined are used to map the dispersion curves along the lang1 1 1rang (Γ-L) direction. The results show general agreement with calculated band structure, so far as the energy levels and symmetries are concerned. However, it is found that the density of state effect is dominant in the spectra obtained in the present photon energy region. The emission from the Ag 5s, p bands is observed to be broadened due to the indirect transition process.

  13. Valence Electronic Structure of Aqueous Solutions: Insights from Photoelectron Spectroscopy

    Science.gov (United States)

    Seidel, Robert; Winter, Bernd; Bradforth, Stephen E.

    2016-05-01

    The valence orbital electron binding energies of water and of embedded solutes are crucial quantities for understanding chemical reactions taking place in aqueous solution, including oxidation/reduction, transition-metal coordination, and radiation chemistry. Their experimental determination based on liquid-photoelectron spectroscopy using soft X-rays is described, and we provide an overview of valence photoelectron spectroscopy studies reported to date. We discuss principal experimental aspects and several theoretical approaches to compute the measured binding energies of the least tightly bound molecular orbitals. Solutes studied are presented chronologically, from simple electrolytes, via transition-metal ion solutions and several organic and inorganic molecules, to biologically relevant molecules, including aqueous nucleotides and their components. In addition to the lowest vertical ionization energies, the measured valence photoelectron spectra also provide information on adiabatic ionization energies and reorganization energies for the oxidation (ionization) half-reaction. For solutes with low solubility, resonantly enhanced ionization provides a promising alternative pathway.

  14. Electronic Structures of Uranium Compounds Studied by Soft X-ray Photoelectron Spectroscopy

    Science.gov (United States)

    Fujimori, Shin-ichi; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Haga, Yoshinori; Yamamoto, Etsuji; Ōnuki, Yoshichika

    2016-06-01

    The electronic structures of uranium-based compounds have been studied by photoelectron spectroscopy with soft X-ray synchrotron radiation. Angle-resolved photoelectron spectroscopy with soft X-rays has made it possible to directly observe their bulk band structures and Fermi surfaces. It has been shown that the band structures and Fermi surfaces of itinerant compounds such as UB2, UN, and UFeGa5 are quantitatively described by a band-structure calculation treating all U 5f electrons as itinerant. Furthermore, the overall electronic structures of heavy-fermion compounds such as UPd2Al3, UNi2Al3, and URu2Si2 are also explained by a band-structure calculation, although some disagreements exist, which might originate from the electron correlation effect. This suggests that the itinerant description of U 5f states is an appropriate starting point for the description of their electronic structures. The situation is similar for ferromagnetic superconductors such as UGe2, URhGe, UCoGe, and UIr, although the complications from their low-symmetry crystal structures make it more difficult to describe their detailed electronic structures. The local electronic structures of the uranium site have been probed by core-level photoelectron spectroscopy with soft X-rays. The comparisons of core-level spectra of heavy-fermion compounds with typical itinerant and localized compounds suggest that the local electronic structures of most itinerant and heavy-fermion compounds are close to the U 5f3 configuration except for UPd2Al3 and UPt3. The core-level spectrum of UPd2Al3 has similarities to those of both itinerant and localized compounds, suggesting that it is located at the boundary between the itinerant and localized states. Moreover, the spectrum of UPt3 is very close to that of the localized compound UPd3, suggesting that it is nearly localized, although there are narrow quasi-particle bands in the vicinity of EF.

  15. The Use of XPS and Angle Resolved XPS for the Characterization of Self Assembled Monolayer Grown on Substrate Surfaces for Specific Biological Applications

    International Nuclear Information System (INIS)

    The techniques of X-Ray Photoelectron Spectroscopy (XPS) and angle resolved XPS have been utilised to characterise the chemistry and structure of SAMs grown on gold surfaces for biological applications. A study of a series of alkane thiol SAMs on gold showed that the film thickness is proportional to alkane chain length and that changes in the sulphur chemistry indicate different bonding modes at low and high overlayer coverage. It is determined that a well ordered matrix thiol has a SAM film thickness confirming that the molecules are aligned at a 27 degree tilt angle to the surface normal and bond to the gold surface via the sulphur group. (author)

  16. Electronic and geometric structure of the PTCDA/Ag(110) interface probed by angle-resolved photoemission

    Science.gov (United States)

    Wießner, M.; Hauschild, D.; Schöll, A.; Reinert, F.; Feyer, V.; Winkler, K.; Krömker, B.

    2012-07-01

    The properties of molecular films are determined by the geometric structure of the first layers near the interface. These are in contact with the substrate and feel the effect of the interfacial bonding, which particularly, for metal substrates, can be substantial. For the model system 3,4,9,10-perylenetetracarboxylic dianhydride on Ag(110), the geometric structure of the first monolayer can be modified by preparation parameters. This leads to significant differences in the electronic structure of the first layer. Here, we show that, by combining angle-resolved photoelectron spectroscopy with low-energy electron diffraction, we cannot only determine the electronic structure of the interfacial layer and the unit cell of the adsorbate superstructure, but also the arrangement of the molecules in the unit cell. Moreover, in bilayer films, we can distinguish the first from the second layer and, thus, study the formation of the second layer and its influence on the buried interface.

  17. Electronic structure at the perylene-tetracarboxylic acid dianhydride/Ag(111) interface studied with two-photon photoelectron spectroscopy.

    Science.gov (United States)

    Sachs, Sönke; Schwalb, Christian H; Marks, Manuel; Schöll, Achim; Reinert, Friedrich; Umbach, Eberhard; Höfer, Ulrich

    2009-10-14

    The electronic structure of the prototype metal/organic contact 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on a Ag(111)-surface has been investigated using time- and angle-resolved two-photon photoelectron spectroscopy (2PPE). Our analysis addresses particularly the nature of the interface state (IS) emerging at the interface due to the substrate-adsorbate interaction [C. H. Schwalb, S. Sachs, M. Marks et al., Phys. Rev. Lett. 101, 146801 (2008)]. Its free-electron-like dispersion and a possible backfolding at the surface Brillouin zone boundaries are discussed. Time-resolved pump-probe experiments reveal the inelastic electron lifetime along the dispersion parabola and show its decrease for increasing parallel momentum. The temperature dependence of the peak linewidth indicates a coupling of the IS to molecular vibrations. Moreover, additional aspects are addressed, such as the determination of the electron attenuation length of photoelectrons for low kinetic energy originating from the IS and the work function change of the sample upon PTCDA adsorption with very high energy resolution. PMID:19831458

  18. Analyse de l'interface cuivre/Teflon AF1600 par spectroscopie des photoelectrons rayons x

    Science.gov (United States)

    Popovici, Dan

    The speed of electrical signals through the microelectronic multilevel interconnects depends of the delay time R x C. In order to improve the transmission speed of future microdevices, the microelectronics industry requires the use of metals having lower resistivities and insulators having lower permittivities. Copper and fluoropolymers are interesting candidates for the replacement of the presently used Al/polyimide technology. This thesis presents an X-ray photoelectron spectroscopy (XPS) analysis of the Cu/Teflon AF1600 interface, in order to have a better understanding of those interfacial interactions leading to improved adhesion. Several deposition methods, such as evaporation, sputtering and laser-induced chemical deposition were analyzed and compared. X-ray photoelectron spectroscopy (XPS) was used as the primary characterization technique of the different surfaces and interfaces. In the case of evaporation and sputtering, the loss of fluorine and oxygen atoms leads to graphitization and the crosslinking of carbon chains. The extent of damage caused by copper deposition is higher for sputter deposition because of the higher energies of the incidents atoms. This energy (two orders of magnitude higher than the energy involved in the evaporation) is also responsible for the total reaction of Cu with F and C. For the physical depositions (sputtering and evaporation), an angle-resolved XPS diffusion study showed the copper distribution as a function of depth. (i) For sputter deposition, this distribution is uniform. (ii) In the case of evaporation, we computed the concentration profile using the inverse Laplace transform. Several samples, annealed at different temperatures, were used to calculate the diffusion coefficients for the Cu/Teflon AF1600 interface. The study of interactions at the interface between Teflon AF1600 and copper deposited by different metallization techniques permitted us to elucidate some aspects related to the chemistry and structure of

  19. One-dimensional electron system of Au/Ge(001) revealed by angle-resolved photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Sebastian; Schaefer, Joerg; Blumenstein, Christian; Claessen, Ralph [Experimentelle Physik 4, Universitaet Wuerzburg, 97074 Wuerzburg (Germany); Bostwick, Aaron; Rotenberg, Eli [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley 94720, California (United States)

    2010-07-01

    Self-organized atomic nanowires of noble metals on semiconductor surfaces are characterized by strict spatial separation and a high degree of charge confinement. The ultimate width of single-atom dimension seems to be reached with gold chains on Ge(001).Thus they might offer the possibility to observe exotic properties, like a charge density wave (CDW), or, alternatively, a Luttinger liquid phase. Insight is gained by angle-resolved photoelectron spectroscopy (ARPES). We find that two shallow electron pockets disperse along the wire direction within the surface Brillouin zone, while a dispersion perpendicular to the wires is absent. This is confirmed by mapping the full Fermi surface (FS) topology, where sheets are found to be perfectly 1D without any interchain coupling. This is indicative of the virtual absence of coupling to the second dimension. Interestingly, while various nesting conditions are offered from the FS topology, no band back-folding from a CDW superstructure or energy gap opening is found, which opens a pathway for non-Fermi liquid physics. Thus the system emerges as a prototypical 1D electron system.

  20. Photoelectron spectroscopy beamline on Indus-1 synchrotron radiation source

    OpenAIRE

    Chaudhari, SM; Phase, DM; Wadikar, AD; Ramesh, GS; Hegde, MS; Dasannacharya, BA

    2002-01-01

    We describe here a photoelectron spectroscopy beamline installed on Indus-1 storage ring. Initially we give a brief description of optical and mechanical layout of beam-line. The beamline optics was designed to cover energy range from 10 eV to 200 eV and it consists of a pre-focusing mirror, a toroidal grating monochromator and a post-focusing mirror. We then discuss indigenously developed ultra high vacuum compatible work station to carry out angle integrated photoemission experiments. The b...

  1. Hard X-ray photoelectron spectroscopy: A few recent applications

    Energy Technology Data Exchange (ETDEWEB)

    Taguchi, M., E-mail: mtaguchi@spring8.or.jp [RIKEN SPring-8 Center, Sayo, Hyogo 679-5148 (Japan); Takata, Y.; Chainani, A. [RIKEN SPring-8 Center, Sayo, Hyogo 679-5148 (Japan)

    2013-10-15

    Highlights: ► We discuss recent applications of HAXPES carried out at BL29XU in SPring-8. ► We provide a brief description of the salient features of the instrument. ► The recoil effect of photoelectrons in core levels and valence band are discussed. ► We overview HAXPES studies of a series of 3d transition metal compounds. ► The extended cluster model for explaining well-screened feature is presented. -- Abstract: In this report, we discuss a few recent applications of hard X-ray photoelectron spectroscopy (HAXPES) carried out at the RIKEN beamline BL29XU in SPring-8. We first provide a brief description of the salient features of the instrument in operation at BL29 XU in SPring-8. HAXPES studies on the recoil effect of photoelectrons in core levels and valence band states are presented. The experiments show remarkable consistency with theoretical results and indicate the role of phonon excitations in the recoil effect of photoelectrons. We then overview HAXPES applied to the study of a series of 3d transition metal (TM) compounds. The HAXPES experimental results often show an additional well-screened feature in bulk sensitive electronic structure of strongly correlated compounds compared to surface sensitive spectra. The extended cluster model developed by us for explaining this well-screened feature is validated for a series of TM compounds. These results show that HAXPES is a valuable tool for the study of doping and temperature dependent electronic structure of solids with tremendous potential for future activities.

  2. Angle-resolved time delay in photoemission

    CERN Document Server

    Wätzel, Jonas; Pavlyukh, Yaroslav; Berakdar, Jamal

    2014-01-01

    We investigate theoretically the relative time delay of photoelectrons originating from different atomic subshells of noble gases. This quantity was measured via attosecond streaking and studied theoretically by Schultze et al. [Science 328, 1658 (2010)] for neon. A substantial discrepancy was found between the measured and the calculated values of the relative time delay. Several theoretical studies were put forward to resolve this issue, e.g., by including correlation effects. In the present paper we explore a further aspect, namely the directional dependence of time delay. In contrast to neon, for argon target a strong angular dependence of time delay is found near a Cooper minimum.

  3. Ultrafast photoelectron spectroscopy of solutions: space-charge effect

    Science.gov (United States)

    Al-Obaidi, R.; Wilke, M.; Borgwardt, M.; Metje, J.; Moguilevski, A.; Engel, N.; Tolksdorf, D.; Raheem, A.; Kampen, T.; Mähl, S.; Kiyan, I. Yu; Aziz, E. F.

    2015-09-01

    The method of time-resolved XUV photoelectron spectroscopy is applied in a pump-probe experiment on a liquid micro-jet. We investigate how the XUV energy spectra of photoelectrons are influenced by the space charge created due to ionization of the liquid medium by the pump laser pulse. XUV light from high-order harmonic generation is used to probe the electron population of the valence shell of iron hexacyanide in water. By exposing the sample to a short UV pump pulse of 266 nm wavelength and ˜55 fs duration, we observe an energy shift of the spectral component associated with XUV ionization from the Fe 3d(t2g) orbital as well as a shift of the water spectrum. Depending on the sequence of the pump and probe pulses, the arising energy shift of photoelectrons acquires a positive or negative value. It exhibits a sharp positive peak at small time delays, which facilitates to determine the temporal overlap between pump and probe pulses. The negative spectral shift is due to positive charge accumulated in the liquid medium during ionization. Its dissipation is found to occur on a (sub)nanosecond time scale and has a biexponential character. A simple mean-field model is provided to interpret the observations. A comparison between the intensity dependencies of the spectral shift and the UV ionization yield shows that the space-charge effect can be significantly reduced when the pump intensity is attenuated below the saturation level of water ionization. For the given experimental conditions, the saturation intensity lies at 6× {10}10 W cm-2.

  4. Photoelectron imaging spectroscopy of niobium mononitride anion NbN(.).

    Science.gov (United States)

    Berkdemir, Cuneyt; Gunaratne, K Don Dasitha; Cheng, Shi-Bo; Castleman, A W

    2016-07-21

    In this gas-phase photoelectron spectroscopy study, we present the electron binding energy spectrum and photoelectron angular distributions of NbN(-) by the velocity-map imaging technique. The electron binding energy of NbN(-) is measured to be 1.42 ± 0.02 eV from the X band maximum which defines the 0-0 transition between ground states of anion and neutral. Theoretical binding energies which are the vertical and adiabatic detachment energies are computed by density functional theory to compare them with experiment. The ground state of NbN(-) is assigned to the (2)Δ3/2 state and then the electronic transitions originating from this state into X(3)ΔΩ (Ω = 1-3), a(1)Δ2, A(3)Σ1 (-), and b(1)Σ0 (+) states of NbN are reported to interpret the spectral features. As a prospective study for catalytic materials, spectral features of NbN(-) are compared with those of isovalent ZrO(-) and Pd(-). PMID:27448881

  5. SPIN POLARIZED PHOTOELECTRON SPECTROSCOPY AS A PROBE OF MAGNETIC SYSTEMS.

    Energy Technology Data Exchange (ETDEWEB)

    JOHNSON, P.D.; GUNTHERODT, G.

    2006-11-01

    Spin-polarized photoelectron spectroscopy has developed into a versatile tool for the study of surface and thin film magnetism. In this chapter, we examine the methodology of the technique and its recent application to a number of different problems. We first examine the photoemission process itself followed by a detailed review of spin-polarization measurement techniques and the related experimental requirements. We review studies of spin polarized surface states, interface states and quantum well states followed by studies of the technologically important oxide systems including half-metallic transition metal oxides, ferromagnet/oxide interfaces and the antiferromagnetic cuprates that exhibit high Tc Superconductivity. We also discuss the application of high-resolution photoemission with spin resolving capabilities to the study of spin dependent self energy effects.

  6. An instrument for the investigation of actinides with spin resolved photoelectron spectroscopy and bremsstrahlung isochromat spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yu, S.-W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tobin, J. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Chung, B. W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2011-01-01

    A new system for spin resolved photoelectron spectroscopy and bremsstrahlung isochromat spectroscopy has been built and commissioned at Lawrence Livermore National Laboratory for the investigation of the electronic structure of the actinides.Actinide materials are very toxic and radioactive and therefore cannot be brought to most general user facilities for spectroscopic studies. The technical details of the new system and preliminary data obtained therein will be presented and discussed.

  7. Photoelectron spectroscopy of sequential three-photon double ionization of Ar irradiated by EUV free-electron laser pulses

    International Nuclear Information System (INIS)

    We have investigated the ionization of the Ar atom by 51 nm extreme-ultraviolet light pulses at the free-electron laser facility, SPring-8 Compact SASE Source test accelerator, in Japan. The angle-resolved photoelectron spectra contain lines due to sequential three-photon double ionization with the second ionization step proceeding via the resonantly enhanced two-photon absorption. The relative intensities of the corresponding photoelectron peaks and their angular dependence are explained in the framework of a three-step model of the process. (fast track communication)

  8. Photoelectron spectroscopy of sequential three-photon double ionization of Ar irradiated by EUV free-electron laser pulses

    Energy Technology Data Exchange (ETDEWEB)

    Fukuzawa, H; Gryzlova, E V; Motomura, K; Yamada, A; Ueda, K; Piseri, P; Mazza, T; Devetta, M [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Grum-Grzhimailo, A N; Strakhova, S I [Institute of Nuclear Physics, Moscow State University, Moscow 119991 (Russian Federation); Nagaya, K; Sugishima, A; Mizoguchi, Y; Iwayama, H; Yao, M; Saito, N; Coreno, M; Nagasono, M; Tono, K; Yabashi, M, E-mail: fukuzawa@tagen.tohoku.ac.j [RIKEN, XFEL Project Head Office, Sayo, Hyogo 679-5148 (Japan)

    2010-06-14

    We have investigated the ionization of the Ar atom by 51 nm extreme-ultraviolet light pulses at the free-electron laser facility, SPring-8 Compact SASE Source test accelerator, in Japan. The angle-resolved photoelectron spectra contain lines due to sequential three-photon double ionization with the second ionization step proceeding via the resonantly enhanced two-photon absorption. The relative intensities of the corresponding photoelectron peaks and their angular dependence are explained in the framework of a three-step model of the process. (fast track communication)

  9. Angle-resolved cathodoluminescence imaging polarimetry

    CERN Document Server

    Osorio, Clara I; Brenny, Benjamin; Polman, Albert; Koenderink, A Femius

    2015-01-01

    Cathodoluminescence spectroscopy (CL) allows characterizing light emission in bulk and nanostructured materials and is a key tool in fields ranging from materials science to nanophotonics. Previously, CL measurements focused on the spectral content and angular distribution of emission, while the polarization was not fully determined. Here we demonstrate a technique to access the full polarization state of the cathodoluminescence emission, that is the Stokes parameters as a function of the emission angle. Using this technique, we measure the emission of metallic bullseye nanostructures and show that the handedness of the structure as well as nanoscale changes in excitation position induce large changes in polarization ellipticity and helicity. Furthermore, by exploiting the ability of polarimetry to distinguish polarized from unpolarized light, we quantify the contributions of different types of coherent and incoherent radiation to the emission of a gold surface, silicon and gallium arsenide bulk semiconductor...

  10. Attosecond photoelectron spectroscopy of electron transport in solids

    International Nuclear Information System (INIS)

    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

  11. 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

  12. Alignment of the photoelectron spectroscopy beamline at NSRL

    CERN Document Server

    Li, Chaoyang; Wen, Shen; Pan, Congyuan; An, Ning; Du, Xuewei; Zhu, Junfa; Wang, Qiuping

    2013-01-01

    The photoelectron spectroscopy beamline at National Synchrotron Radiation Laboratory (NSRL) is equipped with a spherical grating monochromator with the included angle of 174 deg. Three gratings with line density of 200, 700 and 1200 lines/mm are used to cover the energy region from 60 eV to 1000 eV. After several years operation, the spectral resolution and flux throughput were deteriorated, realignment is necessary to improve the performance. First, the wavelength scanning mechanism, the optical components position and the exit slit guide direction are aligned according to the design value. Second, the gratings are checked by Atomic Force Microscopy (AFM). And then the gas absorption spectrum is measured to optimize the focusing condition of the monochromator. The spectral resolving power is recovered to the designed value of 1000@244eV. The flux at the end station for the 200 lines/mm grating is about 10^10 photons/sec/200mA, which is in accordance with the design. The photon flux for the 700 lines/mm grati...

  13. Zero Kinetic Energy Photoelectron Spectroscopy of Benzo[h]quinoline.

    Science.gov (United States)

    Harthcock, Colin; Zhang, Jie; Kong, Wei

    2015-12-17

    We report zero kinetic energy (ZEKE) photoelectron spectroscopy of benzo[h]quinoline (BhQ) via resonantly enhanced multiphoton ionization (REMPI) through the first electronically excited state S1. From the simulated REMPI spectra with and without Herzberg-Teller coupling, we conclude that vibronic coupling plays a minor but observable role in the electronic excitation to the S1 state. We further compare the S1 state of BhQ with the first two electronically excited states of phenanthrene, noticing a similarity of the S1 state of BhQ with the second electronically excited state S2 of phenanthrene. In the ZEKE spectra of BhQ, the vibrational frequencies of the cationic state D0 are consistently higher than those of the intermediate neutral state, indicating enhanced bonding upon ionization. The sparse ZEKE spectra, compared with the spectrum of phenanthrene containing rich vibronic activities, further imply that the nitrogen atom has attenuated the structural change between S1 and D0 states. We speculate that the nitrogen atom can withdraw an electron in the S1 state and donate an electron in the D0 state, thereby minimizing the structural change during ionization. The origin of the first electronically excited state is determined to be 29,410 ± 5 cm(-1), and the adiabatic ionization potential is determined to be 65,064 ± 7 cm(-1). PMID:26039927

  14. Photoelectron spectroscopy investigation of the C60/calcium interface

    Energy Technology Data Exchange (ETDEWEB)

    Wetzstein, Holger; Schoell, Achim; Reinert, Friedrich [Experimental Physics VII, Julius-Maximilians-University of Wuerzburg, D-97074 Wuerzburg (Germany); Bunandar, Darius [Department of Physics, University of Texas at Austin, Austin, TX 78712-0264 (United States); Schafferhans, Julia; Deibel, Carsten [Experimental Physics VI, Julius-Maximilians-University of Wuerzburg, D-97074 Wuerzburg (Germany)

    2011-07-01

    Device lifetime is a crucial point for organic solar cells. Therefore it is important to understand the degradation mechanisms as well as their consequence on the performance of these photovoltaic devices. We observed a characteristic S-shape in the I/V-curves of P3HT/PCBM-bulk heterojunction cells with calcium contacts. A tentative origin of this behavior is a reaction of the calcium with oxygen, which leads to alterations in the regime of the anode interface. To shed more light on this issue we investigated the electronic structure of the Ca/C{sub 60} interface, which serves as a model for the PCBM/Ca contact. X-ray (XPS) and ultra-violet photoelectron spectroscopy (UPS) measurements were performed on C{sub 60} layers adsorbed on epitaxially grown Calcium as well as on Ca deposited on C{sub 60}. In both cases, the data clearly show the formation of an interface state due to the charge transfer from the Ca into the C{sub 60}, which is an indication for a chemical reaction. Moreover, we studied the effect of oxygen exposure on the interfacial chemical and electronic structure under conditions comparable to the conditions during device operation.

  15. Probing keto-enol tautomerism using photoelectron spectroscopy.

    Science.gov (United States)

    Capron, Nathalie; Casier, Bastien; Sisourat, Nicolas; Piancastelli, Maria Novella; Simon, Marc; Carniato, Stéphane

    2015-08-14

    We theoretically investigate the mechanism of tautomerism in the gas-phase acetylacetone molecule. The minimum energy path between the enolone and diketo forms has been computed using the Nudged-Elastic Band (NEB) method within the density-functional theory (DFT) using the projector augmented-wave method and generalized gradient approximation in Perdew-Wang (PW91) parametrization. The lowest transition state as well as several intermediate geometries between the two stable tautomers have been identified. The outer-valence ionization spectra for all determined geometries have been computed using the third-order non-Dyson algebraic diagrammatic construction technique. Furthermore, the oxygen core-shell ionization spectra for these geometries have been obtained using DFT and the Becke three-parameter Lee-Yang-Parr (B3LYP) functional. It is shown that all spectra depend strongly on the geometries demonstrating the possibility of following the proton-transfer dynamics using photoelectron spectroscopy in pump-probe experiments. PMID:26172609

  16. Insights into electrochemical reactions from ambient pressure photoelectron spectroscopy.

    Science.gov (United States)

    Stoerzinger, Kelsey A; Hong, Wesley T; Crumlin, Ethan J; Bluhm, Hendrik; Shao-Horn, Yang

    2015-11-17

    The understanding of fundamental processes in the bulk and at the interfaces of electrochemical devices is a prerequisite for the development of new technologies with higher efficiency and improved performance. One energy storage scheme of great interest is splitting water to form hydrogen and oxygen gas and converting back to electrical energy by their subsequent recombination with only water as a byproduct. However, kinetic limitations to the rate of oxygen-based electrochemical reactions hamper the efficiency in technologies such as solar fuels, fuel cells, and electrolyzers. For these reactions, the use of metal oxides as electrocatalysts is prevalent due to their stability, low cost, and ability to store oxygen within the lattice. However, due to the inherently convoluted nature of electrochemical and chemical processes in electrochemical systems, it is difficult to isolate and study individual electrochemical processes in a complex system. Therefore, in situ characterization tools are required for observing related physical and chemical processes directly at the places where and while they occur and can help elucidate the mechanisms of charge separation and charge transfer at electrochemical interfaces. X-ray photoelectron spectroscopy (XPS), also known as ESCA (electron spectroscopy for chemical analysis), has been used as a quantitative spectroscopic technique that measures the elemental composition, as well as chemical and electronic state of a material. Building from extensive ex situ characterization of electrochemical systems, initial in situ studies were conducted at or near ultrahigh vacuum (UHV) conditions (≤10(-6) Torr) to probe solid-state electrochemical systems. However, through the integration of differential-pumping stages, XPS can now operate at pressures in the torr range, comprising a technique called ambient pressure XPS (AP-XPS). In this Account, we briefly review the working principles and current status of AP-XPS. We use several recent

  17. Coincident photoelectron spectroscopy on superconductors; Koinzidente Photoelektronenspektroskopie an Supraleitern

    Energy Technology Data Exchange (ETDEWEB)

    Voss, Stefan

    2011-07-01

    Aim of the performed experiments of this thesis was to attempt to detect Cooper pairs as carriers of the superconducting current directly by means of the photoelectric effect. The method of the coincident photoelectron spectroscopy aims thereby at the detection of two coherently emitted electrons by the interaction with a photon. Because electrostatic analyzers typically cover only a very small spatial angle, which goes along with very low coincidence rates, in connection with this thesis a time-of-flight projection system has been developed, which maps nearly the whole spatial angle on a position-resolving detector. The pulsed light source in form of special synchrotron radiation necessary for the measurement has been adjusted so weak, that only single photons could arrive at the sample. Spectroscoped were beside test measurements on silver layers both a lead monocrystal as representative of the classical BCS superconductors and monocrystalline Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} from the family of the high-temperature superconductors. With excitation energies up to 40 eV could be shown that sufficiently smooth and clean surfaces in the superconducting phase exhibit within the resolving power of about 0.5 eV no recognizable differences in comparison to the normally conducting phase. Beside these studies furthermore the simple photoemission at the different samples and especially in the case of the lead crystal is treated, because here no comparable results are known. Thereby the whole momentum space is discussed and the Fermi surface established as three-dimensional model, by means of which the measurement results are discussed. in the theoretical descriptions different models for the Cooper-pair production are presented, whereby to the momentum exchange with the crystal a special role is attributed, because this can only occur in direct excitations via discrete lattice vectors.

  18. High Resolution Photoelectron Spectroscopy of Au_2^- and Au_4^- by Photoelectron Imaging

    Science.gov (United States)

    Leon, Iker; Yang, Zheng; Wang, Lai-Sheng

    2013-06-01

    We report high resolution photoelectron spectra of Au_2^- and Au_4^- obtained with a newly-built photoelectron imaging apparatus. Gold anions are produced by laser vaporization and the desired specie is mass selected and focused into the collinear velocity-map imaging (VMI) lens assembly. The design of the imaging lens has allowed us to obtain less than 0.9% energy resolution for high kinetic energy electrons ( > 1eV) while maintaining wavenumber resolution for low kinetic energy electrons. Although gold dimer and tetramer have been studied in the past, we present spectroscopic results under high resolution. For Au_2^-, we report high resolution spectra with an accurate determination of the electron affinity together with a complete vibrational assignment, for both the anion and neutral ground states, while for Au_4^-, we are able to resolve a low frequency mode and obtain accurately the adiabatic detachment energy.

  19. Time-resolved photoelectron spectroscopy and ab initio multiple spawning studies of hexamethylcyclopentadiene

    DEFF Research Database (Denmark)

    Wolf, T. J. A.; Kuhlman, Thomas Scheby; Schalk, O.;

    2014-01-01

    Time-resolved photoelectron spectroscopy and ab initio multiple spawning were applied to the ultrafast non-adiabatic dynamics of hexamethylcyclopentadiene. The high level of agreement between experiment and theory associates wavepacket motion with a distinct degree of freedom....

  20. Photoelectron spectroscopy on doped organic semiconductors and related interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Olthof, Selina Sandra

    2010-06-08

    Using photoelectron spectroscopy, we show measurements of energy level alignment of organic semiconducting layers. The main focus is on the properties and the influence of doped layers. The investigations on the p-doping process in organic semiconductors show typical charge carrier concentrations up to 2.10{sup 20} cm{sup -3}. By a variation of the doping concentration, an over proportional influence on the position of the Fermi energy is observed. Comparing the number of charge carriers with the amount of dopants present in the layer, it is found that only 5% of the dopants undergo a full charge transfer. Furthermore, a detailed investigation of the density of states beyond the HOMO onset reveals that an exponentially decaying density of states reaches further into the band gap than commonly assumed. For an increasing amount of doping, the Fermi energy gets pinned on these states which suggests that a significant amount of charge carriers is present there. The investigation of metal top and bottom contacts aims at understanding the asymmetric current-voltage characteristics found for some symmetrically built device stacks. It can be shown that a reaction between the atoms from the top contact with the molecules of the layer leads to a change in energy level alignment that produces a 1.16 eV lower electron injection barrier from the top. Further detailed investigations on such contacts show that the formation of a silver top contact is dominated by diffusion processes, leading to a broadened interface. However, upon insertion of a thin aluminum interlayer this diffusion can be stopped and an abrupt interface is achieved. Furthermore, in the case of a thick silver top contact, a monolayer of molecules is found to oat on top of the metal layer, almost independent on the metal layer thickness. Finally, several device stacks are investigated, regarding interface dipoles, formation of depletion regions, energy alignment in mixed layers, and the influence of the built

  1. High resolution photoelectron spectroscopy of clusters of Group V elements

    International Nuclear Information System (INIS)

    High resolution HeI (580 angstrom) photoelectron spectra of As2, As4, and P4 were obtained with a newly-built high temperature molecular beam source. Vibrational structure was resolved in the photoelectron spectra of the three cluster species. The Jahn-Teller effect is discussed for the 2E and 2T2 states of P4+ and As4+. As a result of the Jahn-Teller effect, the 2E state splits into two bands, and the 2T2 state splits into three bands, in combination with the spin-orbit effect. It was observed that the ν2 normal vibrational mode was involved in the vibronic interaction of the 2E state, while both the ν2 and ν3 modes were active in the 2T2 state. 26 refs., 5 figs., 3 tabs

  2. High-order multiphoton ionization photoelectron spectroscopy of NO

    International Nuclear Information System (INIS)

    Photoelectron energy and angular distributions of NO following three different high-order multiphoton ionization (MPI) schemes have been measured. The 3+3 resonantly enhanced multiphoton ionization (REMPI) via the A2Σ+ (v=0) level yielded a distribution of electron energies corresponding to all accessible vibrational levels (v+=0--6) of the nascent ion. Angular distributions of electrons corresponding to v+=0 and v+=3 were significantly different. The 3+2 REMPI via the A2Σ+ (v=1) level produced only one low-energy electron peak (v+=1). Nonresonant MPI at 532 nm yielded a distribution of electron energies corresponding to both four- and five-photon ionization. Prominent peaks in the five-photon photoelectron spectrum (PES) suggest contributions from near-resonant states at the three-photon level

  3. Atomic and molecular photoelectron and Auger-electron-spectroscopy studies using synchrotron radiation

    International Nuclear Information System (INIS)

    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 also 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 of the ejected electrons. The double-angle-TOF method for the measurement of photoelectron angular distributions is discussed. This technique offers the advantages of increased electron collection efficiency and the elimination of certain systematic errors. An electron spectroscopy study of inner-shell photoexcitation and ionization of Xe, photoelectron angular distributions from H2 and D2, and photoionization cross sections and photoelectron asymmetries of the valence orbitals of NO are reported

  4. Beam-line systems for pump-probe photoelectron spectroscopy using SR and laser

    CERN Document Server

    Kamada, M; Takahashi, K; Doi, Y I; Fukui, K; Kinoshita, T; Haruyama, Y; Asaka, S; Fujii, Y; Itoh, M

    2001-01-01

    Combined systems for photoelectron spectroscopy using synchrotron radiation (SR) and laser have been constructed at BL5A and BL6A2 in the UVSOR facility, Okazaki. The systems consist of photoelectron spectrometers with high performance, mode-locked lasers, and timing electronic circuits. The laser pulses with repetition frequency of 90 MHz are synchronized with the SR pulses. An upgrade project to install a micro-ESCA at BL6A2, which is now in progress, is also reported.

  5. Development of the web-based NIST X-ray Photoelectron Spectroscopy (XPS) Database

    OpenAIRE

    Angela Y. Lee; Blakeslee, Dorothy M; Powell, Cedric J; Rumble, Jr., John

    2006-01-01

    The first Web-based version of the NIST X-ray Photoelectron Spectroscopy Database (XPSDB) is described. The current database, built from a relational database management system (RDBMS), contains critically evaluated data with over 19,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines. It is available free of charge to the public through the Internet at http://srdata.nist.gov/xps/.

  6. Angle-resolved effective potentials for disk-shaped molecules

    International Nuclear Information System (INIS)

    We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in atomistically-resolved molecular dynamics (MD) computer simulations. Throughout this study we focus on disk-like molecules such as coronene. To develop the methods we focus on integrating out the van der Waals and intramolecular interactions, while electrostatic charge contributions are neglected. The resulting coarse-grained pair potential reveals a strong temperature and angle dependence. In the next step we fit the numerical data with various Gay-Berne-like potentials to be used in more efficient simulations on larger scales. The quality of the resulting coarse-grained results is evaluated by comparing their pair and many-body structure as well as some thermodynamic quantities self-consistently to the outcome of atomistic MD simulations of many-particle systems. We find that angle-resolved potentials are essential not only to accurately describe crystal structures but also for fluid systems where simple isotropic potentials start to fail already for low to moderate packing fractions. Further, in describing these states it is crucial to take into account the pronounced temperature dependence arising in selected pair configurations due to bending fluctuations

  7. Angle-resolved effective potentials for disk-shaped molecules

    Energy Technology Data Exchange (ETDEWEB)

    Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de [Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de; Dzubiella, Joachim, E-mail: joachim.dzubiella@helmholtz-berlin.de [Institut für Physik, Humboldt Universität zu Berlin, Newtonstraße 15, 12489 Berlin (Germany); Helmholtz Zentrum Berlin (HZB), Institute of Soft Matter and Functional Materials, Hahn-Meitner Platz 1, 14109 Berlin (Germany)

    2014-12-07

    We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in atomistically-resolved molecular dynamics (MD) computer simulations. Throughout this study we focus on disk-like molecules such as coronene. To develop the methods we focus on integrating out the van der Waals and intramolecular interactions, while electrostatic charge contributions are neglected. The resulting coarse-grained pair potential reveals a strong temperature and angle dependence. In the next step we fit the numerical data with various Gay-Berne-like potentials to be used in more efficient simulations on larger scales. The quality of the resulting coarse-grained results is evaluated by comparing their pair and many-body structure as well as some thermodynamic quantities self-consistently to the outcome of atomistic MD simulations of many-particle systems. We find that angle-resolved potentials are essential not only to accurately describe crystal structures but also for fluid systems where simple isotropic potentials start to fail already for low to moderate packing fractions. Further, in describing these states it is crucial to take into account the pronounced temperature dependence arising in selected pair configurations due to bending fluctuations.

  8. Interlayer composition in Mo-Si multilayers using X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Molybdenum-silicon multilayers have been synthesized using electron beam evaporation method. The chemical nature of surfaces and interfaces are probed using a depth profile X-ray photoelectron spectroscopy. X-ray photoelectron spectroscopy results indicate the formation of MoSi2 phase on both the interfaces. The experimental results agree well with predicted results based on solid-state amorphizing reaction, as a result of large heat of mixing. The effective heat of formation model reveals the formation of MoSi2 as the first phase

  9. In situ SERS and X-ray photoelectron spectroscopy studies on the pH-dependant adsorption of anthraquinone-2-carboxylic acid on silver electrode

    Science.gov (United States)

    Li, Dan; Jia, Shaojie; Fodjo, Essy Kouadio; Xu, Hu; Wang, Yuhong; Deng, Wei

    2016-03-01

    In this study, in situ surface-enhanced Raman scattering (SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS) are used to investigate the redox reaction and adsorption behavior of anthraquinone-2-carboxylic acid (AQ-2-COOH) on an Ag electrode at different pH values. The obtained results indicate that AQ-2-COOH is adsorbed tilted on the Ag electrode through O-atom of ring carbonyl in a potential range from -0.3 to -0.5 V vs. SCE, but the orientation turns to more tilted orientation with both O-atom of the ring carbonyl and carboxylate group in positive potential region for pH 6.0 and 7.4. However, at pH 10.0, the orientation adopts tilted conformation constantly on the Ag electrode with both O-atom of the anthraquinone ring and carboxylate group in the potential range from -0.3 to -0.5 V vs. SCE or at positive potentials. Moreover, the adsorption behavior of AQ-2-COOH has been further confirmed by AR-XPS on the Ag surface. Proposed reasons for the observed changes in orientation are presented.

  10. FORTRAN program for x ray photoelectron spectroscopy data reformatting

    Science.gov (United States)

    Abel, Phillip B.

    1989-01-01

    A FORTRAN program has been written for use on an IBM PC/XT or AT or compatible microcomputer (personal computer, PC) that converts a column of ASCII-format numbers into a binary-format file suitable for interactive analysis on a Digital Equipment Corporation (DEC) computer running the VGS-5000 Enhanced Data Processing (EDP) software package. The incompatible floating-point number representations of the two computers were compared, and a subroutine was created to correctly store floating-point numbers on the IBM PC, which can be directly read by the DEC computer. Any file transfer protocol having provision for binary data can be used to transmit the resulting file from the PC to the DEC machine. The data file header required by the EDP programs for an x ray photoelectron spectrum is also written to the file. The user is prompted for the relevant experimental parameters, which are then properly coded into the format used internally by all of the VGS-5000 series EDP packages.

  11. Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations

    Science.gov (United States)

    Cao, Guo-Jin; Xu, Hong-Guang; Li, Ren-Zhong; Zheng, Weijun

    2012-01-01

    The nucleobase-gold complexes were studied with anion photoelectron spectroscopy and density functional calculations. The vertical detachment energies of uracil-Au-, thymine-Au-, cytosine-Au-, adenine-Au-, and guanine-Au- were estimated to be 3.37 ± 0.08 eV, 3.40 ± 0.08 eV, 3.23 ± 0.08 eV, 3.28 ± 0.08 eV, and 3.43 ± 0.08 eV, respectively, based on their photoelectron spectra. The combination of photoelectron spectroscopy experiments and density functional calculations reveals the presence of two or more isomers for these nucleobase-gold complexes. The major isomers detected in the experiments probably are formed by Au anion with the canonical tautomers of the nucleobases. The gold anion essentially interacts with the nucleobases through N-H...Au hydrogen bonds.

  12. Structural and electronic characterization of self-assembled molecular nanoarchitectures by X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Gulino, Antonino

    2013-02-01

    Molecular monolayers and similar nanoarchitectures are indicative of the promising future of nanotechnology. Therefore, many scientists recently devoted their efforts to the synthesis, characterization, and properties of mono- and multilayer-based systems. In this context, X-ray photoelectron spectroscopy is an important technique for the in-depth chemical and structural characterization of nanoscopic systems. In fact, it is a surface technique suitable for probing thicknesses of the same order of the photoelectron inelastic mean free paths (a few tens of ångströms) and allows one to immediately obtain qualitative and quantitative data, film thickness, surface coverage, molecule footprint, oxidation states, and presence of functional groups. Nevertheless, other techniques are important in obtaining a complete spectroscopic characterization of the investigated systems. Therefore, in the present review we report on X-ray photoelectron spectroscopy of self-assembled molecular mono- and multilayer materials including some examples on which other characterization techniques produced important results. PMID:23014858

  13. Photoelectron Spectroscopy under Ambient Pressure and Temperature Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Ogletree, D. Frank; Bluhm, Hendrik; Hebenstreit, Eleonore B.; Salmeron, Miquel

    2009-02-27

    We describe the development and applications of novel instrumentation for photoemission spectroscopy of solid or liquid surfaces in the presence of gases under ambient conditions or pressure and temperature. The new instrument overcomes the strong scattering of electrons in gases by the use of an aperture close to the surface followed by a differentially-pumped electrostatic lens system. In addition to the scattering problem, experiments in the presence of condensed water or other liquids require the development of special sample holders to provide localized cooling. We discuss the first two generations of Ambient Pressure PhotoEmission Spectroscopy (APPES) instruments developed at synchrotron light sources (ALS in Berkeley and BESSY in Berlin), with special focus on the Berkeley instruments. Applications to environmental science and catalytic chemical research are illustrated in two examples.

  14. Surface functional group characterization using chemical derivatization X-ray photoelectron spectroscopy (CD-XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Jagst, Eda

    2011-03-18

    Chemical derivatization - X-ray photolectron spectroscopy (CD-XPS) was applied successfully in order to determine different functional groups on thin film surfaces. Different amino group carrying surfaces, prepared by spin coating, self-assembly and plasma polymerization, were successfully investigated by (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Amino groups were derivatized with the widely used primary amino group tags, pentafluorobenzaldehyde (PFB) and 4-(trifluoromethyl)-benzaldehyde (TFBA), prior to analysis. Primary amino group quantification was then carried out according to the spectroscopical data. Self-assembled monolayers (SAMs) of different terminal groups were prepared and investigated with XPS and spectra were compared with reference surfaces. An angle resolved NEXAFS measurement was applied to determine the orientation of SAMs. Plasma polymerized allylamine samples with different duty cycle, power and pressure values were prepared in order to study the effects of external plasma parameters on the primary amino group retention. CD-XPS was used to quantify the amino groups and experiments show, that the milder plasma conditions promote the retention of amino groups originating from the allylamine monomer. An interlaboratory comparison of OH group determination on plasma surfaces of polypropylene treated with oxygen plasma, was studied. The surfaces were investigated with XPS and the [OH] amount on the surfaces was calculated. (orig.)

  15. X-ray photoelectron spectroscopy for the study of microbial cell surfaces

    NARCIS (Netherlands)

    van der Mei, Henderina C; de Vries, Jacob; Busscher, Hendrik J

    2000-01-01

    X-ray photoelectron spectroscopy (XPS) is well known for the characterisation of material surfaces, but at first glance, is an unexpected technique to study the composition of microbial cell surfaces. Despite the fact that intimate contact between materials and microbial cell surfaces occurs in many

  16. X-ray Photoelectron Spectroscopy Investigation on Electrochemical Degradation of Proton Exchange Membrane Fuel Cell Electrodes

    DEFF Research Database (Denmark)

    Andersen, Shuang Ma; Dhiman, Rajnish; Skou, Eivind Morten

    2015-01-01

    X-ray photoelectron spectroscopy studies were systematically carried out on the electrodes before and after the electrochemical stress tests in an aqueous electrolyte at 20 °C and 70 °C. The electrodes have different ionomer structures (no ionomer, only ionomer, physically mixed ionomer and hot...

  17. Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations

    DEFF Research Database (Denmark)

    Wolf, T. J. A.; Kuhlman, Thomas Scheby; Schalk, O.;

    2014-01-01

    comparing time-resolved photoelectron spectroscopy (TRPES) with ab initio multiple spawning (AIMS) simulations on the MS-MR-CASPT2 level of theory. We disentangle the relationship between two phenomena that dominate the immediate molecular response upon light absorption: a spectrally dependent delay of the...

  18. Enzymatic Synthesis of Amylose Brushes Revisited : Details from X-Ray Photoelectron Spectroscopy and Spectroscopic Ellipsometry

    NARCIS (Netherlands)

    Mazzocchetti, Laura; Tsoufis, Theodorus; Rudolf, Petra; Loos, Katja

    2014-01-01

    The successful synthesis of amylose brushes via enzymatic ‘‘grafting from’’ polymerization and the detailed characterization of all synthetic steps by X-ray photoelectron spectroscopy (XPS) and spectroscopic ellipsometry measurements are reported. Au and Si surfaces are amino-functionalized with sel

  19. Accessing molecule-metal and hetero-molecular interfaces with direct and resonant photoelectron spectroscopy

    OpenAIRE

    Sauer, Christoph

    2015-01-01

    This thesis consists of two parts of original experimental work, its evaluation, and in- terpretation. Its final goal is to investigate dynamical charge transfer (CT) at a hetero- molecular interface with resonant photoelectron spectroscopy (RPES). In order to achieve this goal preliminary studies have been necessary. First two hetero-molecular inter- faces that exhibit adequate structural properties as well as an appropriate photoelec- tron spectroscopy (PES) spectrum of the valence regime h...

  20. FAST TRACK COMMUNICATION: Photoelectron spectroscopy of sequential three-photon double ionization of Ar irradiated by EUV free-electron laser pulses

    Science.gov (United States)

    Fukuzawa, H.; Gryzlova, E. V.; Motomura, K.; Yamada, A.; Ueda, K.; Grum-Grzhimailo, A. N.; Strakhova, S. I.; Nagaya, K.; Sugishima, A.; Mizoguchi, Y.; Iwayama, H.; Yao, M.; Saito, N.; Piseri, P.; Mazza, T.; Devetta, M.; Coreno, M.; Nagasono, M.; Tono, K.; Yabashi, M.; Ishikawa, T.; Ohashi, H.; Kimura, H.; Togashi, T.; Senba, Y.

    2010-06-01

    We have investigated the ionization of the Ar atom by 51 nm extreme-ultraviolet light pulses at the free-electron laser facility, SPring-8 Compact SASE Source test accelerator, in Japan. The angle-resolved photoelectron spectra contain lines due to sequential three-photon double ionization with the second ionization step proceeding via the resonantly enhanced two-photon absorption. The relative intensities of the corresponding photoelectron peaks and their angular dependence are explained in the framework of a three-step model of the process.

  1. The electronic structure of spintronic materials as seen by spin-polarized angle-resolved photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Plucinski, L., E-mail: l.plucinski@fz-juelich.de [Peter Grünberg Institute PGI-6, Forschungszentrum Jülich, D-52425 Jülich (Germany); Fakultät f. Physik, Universität Duisburg-Essen, D-47057 Duisburg (Germany); Schneider, C.M. [Peter Grünberg Institute PGI-6, Forschungszentrum Jülich, D-52425 Jülich (Germany); Fakultät f. Physik, Universität Duisburg-Essen, D-47057 Duisburg (Germany)

    2013-08-15

    Highlights: •Introduction of spin-dependent effects in modern angle-resolved photoemission from the point of view of potential applications in spintronics. •Review on modern spin-polarimeters, including the historical development of the field. •Several examples to illustrate the application of spin-polarized photoemission to ferromagnetic and non-ferromagnetic sample systems. -- Abstract: The key quantity in spintronic devices is the spin polarization of the current flowing through the various device components, which in turn is closely determined by the components’ electronic structure. Modern spin- and angle-resolved photoemission spectroscopy (spin-ARPES) can map the details of the spin-polarized electronic structure in many novel material systems – both magnetic and nonmagnetic. In order to separate close-lying electronic states, however, an improvement in energy and angular resolution as well as information depth is still mandatory. We review several types of modern photoemission spectrometers capable of spin analysis and discuss the application of the technique for several physical systems including ferromagnetic thin films and topological insulators.

  2. 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.

  3. Observation of Strong Resonant Behavior in the Inverse Photoelectron Spectroscopy of Ce Oxide

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J G; Yu, S W; Chung, B W; Waddill, G D; Damian, E; Duda, L; Nordgren, J

    2009-12-15

    X-ray Emission Spectroscopy (XES) and Resonant Inverse Photoelectron Spectroscopy (RIPES) have been used to investigate the photon emission associated with the Ce3d5/2 and Ce3d3/2 thresholds. Strong resonant behavior has been observed in the RIPES of Ce Oxide near the 5/2 and 3/2 edges. Inverse Photoelectron Spectroscopy (IPES) and its high energy variant, Bremstrahlung Isochromat Spectroscopy (BIS), are powerful techniques that permit a direct interrogation of the low-lying unoccupied electronic structure of a variety of materials. Despite being handicapped by counting rates that are approximately four orders of magnitude less that the corresponding electron spectroscopies (Photoelectron Spectroscopy, PES, and X-ray Photoelectron Spectroscopy, XPS) both IPES and BIS have a long history of important contributions. Over time, an additional variant of this technique has appeared, where the kinetic energy (KE) of the incoming electron and photon energy (hv) of the emitted electron are roughly the same magnitude as the binding energy of a core level of the material in question. Under these circumstances and in analogy to Resonant Photoelectron Spectroscopy, a cross section resonance can occur, giving rise to Resonant Inverse Photoelectron Spectroscopy or RIPES. Here, we report the observation of RIPES in an f electron system, specifically the at the 3d{sub 5/2} and 3d{sub 3/2} thresholds of Ce Oxide. The resonant behavior of the Ce4f structure at the 3d thresholds has been addressed before, including studies of the utilization of the technique as a probe of electron correlation in a variety of Ce compounds. Interestingly, the first RIPES work on rare earths dates back to 1974, although under conditions which left the state of the surface and near surface regions undefined. Although they did not use the more modern terminology of 'RIPES,' it is clear that RIPES was actually first performed in 1974 by Liefeld, Burr and Chamberlain on both La and Ce based

  4. Experimental evidence for extreme surface sensitivity in Auger-Photoelectron Coincidence Spectroscopy (APECS) from solids

    Energy Technology Data Exchange (ETDEWEB)

    Liscio, A.; Gotter, R.; Ruocco, A.; Iacobucci, S.; Danese, A.G.; Bartynski, R.A.; Stefani, G

    2004-07-01

    Core hole creation and subsequent Auger decay processes are studied with unprecedented discrimination by Auger-Photoelectron Coincidence Spectroscopy (APECS). Early works in this field have already pointed out the intrinsic surface sensitivity of these experiments. However, it was not until recently that a model calculation was developed to quantitatively evaluate it. Here we present the first attempt to experimentally establish an effective target thickness for such experiments. The angular distribution of 3p{sub 3/2} photoelectron with kinetic energy of 160 eV is measured in coincidence with the M{sub 3}VV Auger electron with kinetic energy of 55 eV on a Cu (1 1 1) surface. Coincidence and non-coincidence photoelectron angular distributions display differences that, to large extent, are explained by confining the source of the coincident signal within the first two layers of Cu target, thus establishing an experimental upper limit for the effective target thickness of the APECS experiment.

  5. Angle-Resolved Plasmonic Properties of Single Gold Nanorod Dimers

    Institute of Scientific and Technical Information of China (English)

    Jian Wu; Xuxing Lu; Qiannan Zhu; Junwei Zhao; Qishun Shen; Li Zhan; Weihai Ni

    2014-01-01

    Through wet-chemical assembly methods, gold nanorods were placed close to each other and formed a dimer with a gap distance*1 nm, and hence degenerated plasmonic dipole modes of individual nanorods coupled together to produce hybridized bonding and antibonding resonance modes. Previous studies using a condenser for illumination result in averaged signals over all excitation angles. By exciting an individual dimer obliquely at different angles, we demonstrate that these two new resonance modes are highly tunable and sensitive to the angle between the excitation polarization and the dimer orientation, which follows cos2u dependence. Moreover, for dimer structures with various structure angles, the resonance wavelengths as well as the refractive index sensitivities were found independent of the structure angle. Cal-culated angle-resolved plasmonic properties are in good agreement with the measurements. The assembled nanostructures investigated here are important for fundamental researches as well as potential applications when they are used as building blocks in plasmon-based optical and optoelectronic devices.

  6. Spin- and angle-resolved photoemission on the topological Kondo insulator candidate: SmB6.

    Science.gov (United States)

    Xu, Nan; Ding, Hong; Shi, Ming

    2016-09-14

    Topological Kondo insulators are a new class of topological insulators in which metallic surface states protected by topological invariants reside in the bulk band gap at low temperatures. Unlike other 3D topological insulators, a truly insulating bulk state, which is critical for potential applications in next-generation electronic devices, is guaranteed by many-body effects in the topological Kondo insulator. Furthermore, the system has strong electron correlations that can serve as a testbed for interacting topological theories. This topical review focuses on recent advances in the study of SmB6, the most promising candidate for a topological Kondo insulator, from the perspective of spin- and angle-resolved photoemission spectroscopy with highlights of some important transport results. PMID:27391865

  7. Angle-resolved photoemission studies of the superconducting gap symmetry in Fe-based superconductors

    Directory of Open Access Journals (Sweden)

    Y.-B. Huang

    2012-12-01

    Full Text Available The superconducting gap is the fundamental parameter that characterizes the superconducting state, and its symmetry is a direct consequence of the mechanism responsible for Cooper pairing. Here we discuss about angle-resolved photoemission spectroscopy measurements of the superconducting gap in the Fe-based high-temperature superconductors. We show that the superconducting gap is Fermi surface dependent and nodeless with small anisotropy, or more precisely, a function of the momentum location in the Brillouin zone. We show that while this observation seems inconsistent with weak coupling approaches for superconductivity in these materials, it is well supported by strong coupling models and global superconducting gaps. We also suggest that a smaller lifetime of the superconducting Cooper pairs induced by the momentum dependent interband scattering inherent to these materials could affect the residual density of states at low energies, which is critical for a proper evaluation of the superconducting gap.

  8. Spin- and angle-resolved photoemission on the topological Kondo insulator candidate: SmB6

    Science.gov (United States)

    Xu, Nan; Ding, Hong; Shi, Ming

    2016-09-01

    Topological Kondo insulators are a new class of topological insulators in which metallic surface states protected by topological invariants reside in the bulk band gap at low temperatures. Unlike other 3D topological insulators, a truly insulating bulk state, which is critical for potential applications in next-generation electronic devices, is guaranteed by many-body effects in the topological Kondo insulator. Furthermore, the system has strong electron correlations that can serve as a testbed for interacting topological theories. This topical review focuses on recent advances in the study of SmB6, the most promising candidate for a topological Kondo insulator, from the perspective of spin- and angle-resolved photoemission spectroscopy with highlights of some important transport results.

  9. Depth Profiling of the Passive Layer on Stainless Steel using Photoelectron Spectroscopy

    OpenAIRE

    Fredriksson, Wendy

    2012-01-01

    The physical properties of the protective passive films formed on the surface of stainless steels under electrochemical polarization in different electrolytes were studied. The structure of these films was analyzed as a function of depth using photoelectron spectroscopy (PES). Depth profiling (using PES) of the surface layer was achieved by either changing the angle of incidence to achieve different analysis depths (ARXPS), by argon ion etching, or by varying the energy of the incoming x-rays...

  10. Parent Anions of Iron, Manganese, and Nickel Tetraphenyl Porphyrins: Photoelectron Spectroscopy and Computations.

    Science.gov (United States)

    Buytendyk, Allyson M; Graham, Jacob D; Gould, Julian; Bowen, Kit H

    2015-08-13

    The singly charged, parent anions of three transition metal, tetraphenyl porphyrins, M(TPP) [Fe(TPP), Mn(TPP), and Ni(TPP)], were studied by negative ion photoelectron spectroscopy. The observed (vertical) transitions from the ground state anions of these porphyrins to the various electronic states of their neutral counterparts were modeled by density functional theory computations. Our experimental and theoretical results were in good agreement. PMID:26186172

  11. Precision angle-resolved autoionization resonances in Ar and Ne

    Energy Technology Data Exchange (ETDEWEB)

    Berrah, N.; Langer, B.; Gorczyca, T.W. [Western Michigan Univ., Kalamazoo, MI (United States)] [and others

    1997-04-01

    Theoretical work has shown that the electron angular distribution and the shape of the autoionization resonances are crucial to the understanding of certain types of electron-electron correlation. Autoionization resonances in Ne (Ar) result from the decay of the excited discrete state Ne{sup *} 2s2p{sup 6} np (Ar{sup *} 3s3p{sup 6} np) into the continuum state Ne{sup +} 2s{sup 2}2p{sup 5} + e{sup {minus}} (ks,kd) (Ar{sup +} 3s{sup 2}3p{sup 5} + e{sup {minus}} (ks,kd)). Since the continuum can also be reached by direct photoionization, both paths add coherently, giving rise to interferences that produce the characteristic Beutler-Fano line shape. In this work, the authors report on quantitative angle-resolved electron spectrometry studies of (a) the Ne 2s{sup 2}2p{sup 6} {r_arrow} 2s2p{sup 6} np (n=3-5) autoionizing resonances and the 2s{sup 2}2p{sup 6} {r_arrow} 2p{sup 4}3s3p doubly excited resonance, (b) the Ar 3s{sup 2}3p{sup 6} {r_arrow} 3s3p{sup 6} np (n=4-9) autoionization resonances and extended R-matrix calculations of the angular-distribution parameters for both Ne and Ar measurements. Their results are compared with previous theoretical work by Taylor.

  12. A Photoelectron Spectroscopy and ab initio Study of B3- and B4- Anions and Their Neutrals

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Hua-Jin; Wang, Lai S.; Alexandrova, A N.; Boldyrev, Alexander I.; Zakrzewski, V G.

    2003-11-06

    The two smallest boron clusters (B3 and B4) in their neutral and anionic forms were studied by photoelectron spectroscopy and ab initio calculations. Vibrationally resolved photoelectron spectra were observed for B3- at three photon energies (355, 266, and 193 nm) and the electron affinity of B3 was measured to be+0.02 eV.

  13. Angle-resolved photoemission analysis on electronic structures and thermoelectric properties of off-stoichiometric Fe2-xV1+xAl

    International Nuclear Information System (INIS)

    The electronic states of Heusler (L21)-type off-stoichiometric Fe2-xV1+xAl have been investigated by soft X-ray angle-resolved photoelectron spectroscopy (ARPES) in order to clarify the origin of their large thermoelectric powers, which cannot be explained in terms of the rigid band model. In off-normal and normal ARPES, Fe2.05V0.95Al shows a weakly dispersive bulk band around the binding energy of 0.3 eV in the Γ-X direction and an almost dispersion-less one around 0.3 eV in a gap of dispersive bulk bands in the Γ-L direction, which is attributed to the anti-site Fe defect. At the Γ point, the bulk band does not appear to cross the Fermi level EF, consistent with the rigid band model for the excess Fe content bringing about the increase in the valence electrons, but no band crossing EF down is found at the X point. The anti-site Fe defect states near EF might push up the band at the X point and cause the p-type thermoelectric properties, unexpected with the rigid band picture. The change in the electronic structures and thermoelectric properties are discussed on the off-stoichiometry and substitution of the forth element. (author)

  14. Pb 4f photoelectron spectroscopy on mass-selected anionic lead clusters at FLASH

    International Nuclear Information System (INIS)

    4f core level photoelectron spectroscopy has been performed on negatively charged lead clusters, in the size range of 10-90 atoms. We deploy 4.7 nm radiation from the free-electron laser FLASH, yielding sufficiently high photon flux to investigate mass-selected systems in a beam. A new photoelectron detection system based on a hemispherical spectrometer and a time-resolving delayline detector makes it possible to assign electron signals to each micro-pulse of FLASH. The resulting 4f binding energies show good agreement with the metallic sphere model, giving evidence for a fast screening of the 4f core holes. By comparing the present work with previous 5d and valence region data, the paper presents a comprehensive overview of the energetics of lead clusters, from atoms to bulk. Special care is taken to discuss the differences of the valence- and core-level anion cluster photoionizations. Whereas in the valence case the escaping photoelectron interacts with a neutral system near its ground state, core-level ionization leads to transiently highly excited neutral clusters. Thus, the photoelectron signal might carry information on the relaxation dynamics. (paper)

  15. X-ray photoelectron spectroscopy and positron annihilation spectroscopy analysis of surfactant affected FePt spintronic films

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Chun, E-mail: fengchun@ustb.edu.cn [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Li, Xujing; Liu, Fen; Wang, Qiang [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Yang, Meiyin [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); The Center for Micromagnetics and Information Technologies (MINT) and Department of Electrical and Computer Engineering, University of Minnesota, 200 Union St SE, Minneapolis, MN 55455 (United States); Zhao, Chongjun [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Gong, Kui [Centre for the Physics of Materials and Department of Physics, McGill University, Montreal, Quebec, H3A2T8 Canada (Canada); Zhang, Peng; Wang, Bao-Yi; Cao, Xing-Zhong [Key Laboratory of Nuclear Analysis Techniques, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Yu, Guanghua [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China)

    2014-07-01

    This paper reports the effects of surfactant Bi atomic diffusion on the microstructure evolution and resulted property manipulation in FePt spintronic films by the quantitative studies of X-ray photoelectron spectroscopy and positron annihilation spectroscopy. The defect density in the FePt layer, which was tunable by varying the thermal treatment temperatures, was found to be remarkably enhanced correlated with the Bi atomic diffusion behavior. The observed defect density evolution substantially favors Fe(Pt) atomic migrations and lowers the energy barrier for atomic ordering transition, resulting in a great improvement of hard magnet property of the films.

  16. Photoelectron yield spectroscopy and inverse photoemission spectroscopy evaluations of p-type amorphous silicon carbide films prepared using liquid materials

    Directory of Open Access Journals (Sweden)

    Tatsuya Murakami

    2016-05-01

    Full Text Available Phosphorus-doped amorphous silicon carbide films were prepared using a polymeric precursor solution. Unlike conventional polymeric precursors, this polymer requires neither catalysts nor oxidation for its synthesis and cross-linkage, providing semiconducting properties in the films. The valence and conduction states of resultant films were determined directly through the combination of inverse photoemission spectroscopy and photoelectron yield spectroscopy. The incorporated carbon widened energy gap and optical gap comparably in the films with lower carbon concentrations. In contrast, a large deviation between the energy gap and the optical gap was observed at higher carbon contents because of exponential widening of the band tail.

  17. Fingerprints of entangled spin and orbital physics in itinerant ferromagnets via angle-resolved resonant photoemission

    Science.gov (United States)

    Da Pieve, F.

    2016-01-01

    A method for mapping the local spin and orbital nature of the ground state of a system via corresponding flip excitations is proposed based on angle-resolved resonant photoemission and related diffraction patterns, obtained here via an ab initio modified one-step theory of photoemission. The analysis is done on the paradigmatic weak itinerant ferromagnet bcc Fe, whose magnetism, a correlation phenomenon given by the coexistence of localized moments and itinerant electrons, and the observed non-Fermi-Liquid behavior at extreme conditions both remain unclear. The combined analysis of energy spectra and diffraction patterns offers a mapping of local pure spin-flip, entangled spin-flip-orbital-flip excitations and chiral transitions with vortexlike wave fronts of photoelectrons, depending on the valence orbital symmetry and the direction of the local magnetic moment. Such effects, mediated by the hole polarization, make resonant photoemission a promising tool to perform a full tomography of the local magnetic properties even in itinerant ferromagnets or macroscopically nonmagnetic systems.

  18. Momentum-resolved electronic structure at a buried interface from soft X-ray standing-wave angle-resolved photoemission

    NARCIS (Netherlands)

    Gray, A.X.; Minar, J.; Plucinski, L.; Huijben, M.; Bostwick, A.; Rotenberg, E.; Yang, S.-H.; Braun, J.; Winkelmann, A.; Conti, G.; Eiteneer, D.; Rattanachata, A.; Greer, A.A.; Ciston, J.; Ophus, C.; Rijnders, A.J.H.M.; Blank, D.H.A.; Doennig, D.; Pentcheva, R.; Kortright, J.B.; Schneider, C.M.; Ebert, H.; Fadley, C.S.

    2013-01-01

    Angle-resolved photoemission spectroscopy (ARPES) is a powerful technique for the study of electronic structure, but it lacks a direct ability to study buried interfaces between two materials. We address this limitation by combining ARPES with soft X-ray standing-wave (SW) excitation (SWARPES), in w

  19. 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.

  20. A flexible apparatus for attosecond photoelectron spectroscopy of solids and surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Magerl, E.; Stanislawski, M.; Uphues, Th. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Neppl, S.; Barth, J. V.; Menzel, D.; Feulner, P. [Physik Department E20, Technische Universitaet Muenchen, James-Franck-Strasse, 85748 Garching (Germany); Cavalieri, A. L. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Max-Planck Research Department for Structural Dynamics, Universitaet Hamburg, Notkestrasse 85, 22607 Hamburg (Germany); Bothschafter, E. M.; Ernstorfer, R.; Kienberger, R. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Physik Department E11, Technische Universitaet Muenchen, James-Franck-Strasse, 85748 Garching (Germany); Hofstetter, M.; Kleineberg, U.; Krausz, F. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany); Ludwig-Maximilians-Universitaet Muenchen, Fakultaet fuer Physik, Am Coulombwall 1, 85748 Garching (Germany)

    2011-06-15

    We describe an apparatus for attosecond photoelectron spectroscopy of solids and surfaces, which combines the generation of isolated attosecond extreme-ultraviolet (XUV) laser pulses by high harmonic generation in gases with time-resolved photoelectron detection and surface science techniques in an ultrahigh vacuum environment. This versatile setup provides isolated attosecond pulses with photon energies of up to 140 eV and few-cycle near infrared pulses for studying ultrafast electron dynamics in a large variety of surfaces and interfaces. The samples can be prepared and characterized on an atomic scale in a dedicated flexible surface science end station. The extensive possibilities offered by this apparatus are demonstrated by applying attosecond XUV pulses with a central photon energy of {approx}125 eV in an attosecond streaking experiment of a xenon multilayer grown on a Re(0001) substrate.

  1. X-ray photoelectron spectroscopy investigations of zinc-magnesium alloy coated steel

    International Nuclear Information System (INIS)

    The coating layer composition depth profiles and element chemical states of zinc-magnesium alloy coated steel were investigated by X-ray photoelectron spectroscopy depth profiling. Through the analysis of photoelectron signals and Auger signals of different elements on different depth planes of the coating layer, it can be found that the surface of the coating layer contains MgCO3, MgO, Mg(OH)2, metallic Mg, metallic Zn and some complex zinc compounds. Under the surface, there is a Zn2Mg alloy layer with the thickness of about 300 nm accompanied with MgO and Mg(OH)2 in the layer. There is a transitional layer with the thickness of about 200 nm between the Zn2Mg alloy layer and the pure Zn layer, whose components consist of zinc-magnesium alloy without fixed stoichiometry, a little MgO and a little Mg(OH)2.

  2. Study of low-lying electronic states of ozone by anion photoelectron spectroscopy of O - 3

    Science.gov (United States)

    Arnold, Don W.; Xu, Cangshan; Kim, Eun H.; Neumark, Daniel M.

    1994-07-01

    The low-lying electronic states of ozone are studied using anion photoelectron spectroscopy of O-3. The spectra show photodetachment transitions from O-3 to the X˜ 1A1 ground state and to the five lowest lying electronic states of the ozone molecule, namely the 3A2, 3B2, 1A2, 3B1, and 1B1 states. The geometry of the ozonide anion determined from a Franck-Condon analysis of the O3 X 1A1 ground state spectrum agrees reasonably well with previous work. The excited state spectra are dominated by bending vibrational progressions which, for some states, extend well above the dissociation asymptote without noticeable lifetime broadening effects. Preliminary assignments are based upon photoelectron angular distributions and comparison with ab initio calculations. None of the excited states observed lies below the ground state dissociation limit of O3 as suggested by previous experimental and theoretical results.

  3. Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions

    Science.gov (United States)

    Olivieri, Giorgia; Parry, Krista M.; Powell, Cedric J.; Tobias, Douglas J.; Brown, Matthew A.

    2016-04-01

    Over the past decade, energy-dependent ambient pressure X-ray photoelectron spectroscopy (XPS) has emerged as a powerful analytical probe of the ion spatial distributions at the vapor (vacuum)-aqueous electrolyte interface. These experiments are often paired with complementary molecular dynamics (MD) simulations in an attempt to provide a complete description of the liquid interface. There is, however, no systematic protocol that permits a straightforward comparison of the two sets of results. XPS is an integrated technique that averages signals from multiple layers in a solution even at the lowest photoelectron kinetic energies routinely employed, whereas MD simulations provide a microscopic layer-by-layer description of the solution composition near the interface. Here, we use the National Institute of Standards and Technology database for the Simulation of Electron Spectra for Surface Analysis (SESSA) to quantitatively interpret atom-density profiles from MD simulations for XPS signal intensities using sodium and potassium iodide solutions as examples. We show that electron inelastic mean free paths calculated from a semi-empirical formula depend strongly on solution composition, varying by up to 30% between pure water and concentrated NaI. The XPS signal thus arises from different information depths in different solutions for a fixed photoelectron kinetic energy. XPS signal intensities are calculated using SESSA as a function of photoelectron kinetic energy (probe depth) and compared with a widely employed ad hoc method. SESSA simulations illustrate the importance of accounting for elastic-scattering events at low photoelectron kinetic energies (<300 eV) where the ad hoc method systematically underestimates the preferential enhancement of anions over cations. Finally, some technical aspects of applying SESSA to liquid interfaces are discussed.

  4. In situ photoelectron spectroscopy of molecular-beam-epitaxy grown surfaces

    CERN Document Server

    Oshima, M; Okabayashi, J; Ono, K

    2003-01-01

    Two in situ high-resolution synchrotron radiation photoelectron spectroscopy (SRPES) systems combined with a molecular beam epitaxy (MBE) chamber for III-V compound semiconductors and a laser MBE chamber for strongly correlated oxide films, respectively, have been designed and fabricated to analyze intrinsic and surface/interface electronic structures of these unique materials. The importance of the in situ SRPES has been demonstrated by the results of 1) Si surface nanostructures, 2) GaAs surfaces/interfaces and nanostructures, 3) MnAs magnetic nanostructures, and 4) strongly-correlated La sub 1 sub - sub x Sr sub x MnO sub 3 surfaces/interfaces and superstructures.

  5. Chemical Reaction Between Polyvinyl Alcohol and Titanate Coupling Agent with X-Ray Photoelectron Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    LI Bei-xing; ZHANG Wen-sheng

    2003-01-01

    The chemical reaction between polyvinyl alcohol (PVA) and tri(dioctylpyrophosphoryloxy) isopropyl titanate (NDZ-201) was studied using X-ray photoelectron spectroscopy (XPS).The results show that some C-OH functional groups of PVA react with the titanate coupling agent to form CPVA-O-Ti-O-CPVA bond.The cross-linking of the PVA chains occurs through the formation of CPVA-O-Ti-O-CPVA bonds and produces a three dimensional hydrophobic polymer network.Accordingly,the mechanism is proposed that the titanate coupling agent improves the moisture sensitivity of high alumina cement/polyvinyl alcohol (HAC/PVA) based macro defect free (MDF) composite material.

  6. Study on RE-Al-Zr-C-N Coating by X-ray Photoelectron Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    韦永德; 马楠; 侯仰龙

    2001-01-01

    Thermal diffusion of coating on 45 steel with rare earths, zirconium, aluminum, carbon and nitrogen was reported. Through X-ray photoelectron spectrum, the binding energy of permeated elements and their existence states were analyzed. Their existence on the surface of treated steel was confirmed by scanning electronic microscopy and energy dispersive spectroscopy. The results show that the rare earth acts as an activator and accelerator of the permeating of other elements. The effect of rare earths on aluminum is greater than that on zirconium.

  7. In Situ Ambient Pressure X-ray Photoelectron Spectroscopy Studies of Lithium-Oxygen Redox Reactions

    OpenAIRE

    Lu, Yi-Chun; Crumlin, Ethan J.; Veith, Gabriel M.; Harding, Jonathon R.; Mutoro, Eva; Baggetto, Loïc; Dudney, Nancy J.; LIU, ZHI; Shao-Horn, Yang

    2012-01-01

    The lack of fundamental understanding of the oxygen reduction and oxygen evolution in nonaqueous electrolytes significantly hinders the development of rechargeable lithium-air batteries. Here we employ a solid-state Li4+x Ti5O12/LiPON/Li x V2O5 cell and examine in situ the chemistry of Li-O2 reaction products on LixV2O5 as a function of applied voltage under ultra high vacuum (UHV) and at 500 mtorr of oxygen pressure using ambient pressure X-ray photoelectron spectroscopy (APXPS). Under UHV, ...

  8. Adsorption of NO2 on WSe2: DFT and photoelectron spectroscopy studies.

    Science.gov (United States)

    Ovcharenko, R; Dedkov, Yu; Voloshina, E

    2016-09-14

    The electronic structure modifications of WSe2 upon NO2-adsorption at room and low temperatures were studied by means of photoelectron spectroscopy. We found only moderate changes in the electronic structure, which are manifested as an upward shift of the WSe2-related bands to the smaller binding energies. The observed effects are modelled within the density functional theory approach, where a small adsorption energy of gas molecules on the surface of WSe2 was deduced. The obtained experimental data are explained as a valence bands polarisation effect, which causes their energy shift depending on the adsorption geometry and the formed dipole moment. PMID:27392163

  9. X-ray Photoelectron Spectroscopy Studies of MgB2 for Valence State of Mg

    OpenAIRE

    Talapatra, A.; Bandyopadhyay, S K; Sen, Pintu; P. Barat; S. Mukherjee; Mukherjee, M.(Variable Energy Cyclotron Centre, Kolkata, India)

    2004-01-01

    Core level X-ray Photoelectron Spectroscopy (XPS) studies have been carried out on polycrystalline MgB_2 pellets over the whole binding energy range with a view to having an idea of the charge state of Magnesium (Mg). We observe 3 distinct peaks in Mg 2p spectra at 49.3 eV (trace), 51.3 eV (major) and 54.0 eV (trace), corresponding to metallic Mg, MgB_2 and MgCO_3 or, divalent Mg species respectively. Similar trend has been noticed in Mg 2s spectra. The binding energy of Mg in MgB_2 is lower ...

  10. Structural Investigation of SBGESE Glasses by High Resolution X-Ray Photoelectron Spectroscopy

    Directory of Open Access Journals (Sweden)

    R. Golovchak

    2011-01-01

    Full Text Available The evolution of the structure of Sb8Ge32Se60 (Z=2.72 and Sb20Ge20Se60 (Z=2.60 chalcogenide glasses is determined by high resolution X-ray photoelectron spectroscopy. Glasses with Z=2.60 the structure consists of deformed tetrahedra and pyramids, in which at least one Se atom is substituted by Ge or Sb atom. For the Z=2.72 structure consisting of shared pyramids and tetrahedra with two or more Se atoms substituted by the cations. At the same time, Se-Se dimers are present in both compositions.

  11. Fourier-domain angle-resolved low coherence interferometry for clinical detection of dysplasia

    Science.gov (United States)

    Terry, Neil G.; Zhu, Yizheng; Wax, Adam

    2010-02-01

    Improved methods for detecting dysplasia, or pre-cancerous growth are a current clinical need, particularly in the esophagus. The currently accepted method of random biopsy and histological analysis provides only a limited examination of tissue in question while being coupled with a long time delay for diagnosis. Light scattering spectroscopy, in contrast, allows for inspection of the cellular structure and organization of tissue in vivo. Fourier-domain angle-resolved low-coherence interferometry (a/LCI) is a novel light scattering spectroscopy technique that provides quantitative depth-resolved morphological measurements of the size and optical density of the examined cell nuclei, which are characteristic biomarkers of dysplasia. Previously, clinical viability of the a/LCI system was demonstrated through analysis of ex vivo human esophageal tissue in Barrett's esophagus patients using a portable a/LCI, as was the development of a clinical a/LCI system. Data indicating the feasibility of the technique in other organ sites (colon, oral cavity) will be presented. We present an adaptation of the a/LCI system that will be used to investigate the presence of dysplasia in vivo in Barrett's esophagus patients.

  12. In situ photoelectron spectroscopy study of water adsorption on model biomaterial surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Salmeron, Miquel; Ketteler, Guido; Ashby, Paul; Mun, B.S.; Ratera, I.; Bluhm, Hendrik; Kasemo, B.; Salmeron, Miquel

    2007-07-10

    Using in situ photoelectron spectroscopy at near ambient conditions, we compare the interaction of water with four different model biomaterial surfaces: self-assembled thiol monolayers on Au(111) that are functionalized with methyl, hydroxyl, and carboxyl groups, and phosphatidylcholine (POPC) lipid films on Silicon. We show that the interaction of water with biomaterial surfaces is mediated by polar functional groups that interact strongly with water molecules through hydrogen bonding, resulting in adsorption of 0.2-0.3 ML water on the polar thiol films in 700 mTorr water pressure and resulting in characteristic N1s and P2p shifts for the POPC films. Provided that beam damage is carefully controlled, in situ electron spectroscopy can give valuable information about water adsorption which is not accessible under ultra-high vacuum conditions.

  13. Photoelectron spectroscopy study of metallic nanocluster arrangement at the surface of reactively sputtered amorphous hydrogenated carbon

    International Nuclear Information System (INIS)

    We report on the results of the arrangement of isolated surface metallic nanoclusters embedded in amorphous hydrogenated carbon (a-C:H) thin films, studied by photoelectron spectroscopy. As a model system we used gold-containing amorphous hydrogenated carbon (a-C:H/Au), due to the lack of reactivity between carbon and gold. The a-C:H/Au samples are obtained by simultaneous magnetron sputtering of Au target by argon and plasma-enhanced chemical vapor deposition of methane. Photoelectron spectroscopy with x-ray and ultraviolet excitation has been employed for surface studies that comprise as-deposited sample spectra recordings, measurements at off-normal takeoff angle, in situ in-depth profiling by Ar+ ion etching, and thiophene adsorption at the sample surface. The results of these extended studies firmly support previously drawn conclusions [I. R. Videnovic, V. Thommen, P. Oelhafen, D. Mathys, M. Dueggelin, and R. Guggenheim, Appl. Phys. Lett 80, 2863 (2002)] that by deposition on electrically grounded substrates one obtains samples with topmost Au clusters covered with a thin layer of a-C:H. Introducing a dc substrate bias voltage results in bald Au clusters on the surface and increased sp2/sp3 coordinated carbon ratio in the a-C:H matrix

  14. Advancements in time-resolved x-ray laser induced time-of-flight photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, A J; Dunn, J; Widmann, K; Ao, T; Ping, Y; Hunter, J; Ng, A

    2005-07-28

    Time-resolved soft x-ray photoelectron spectroscopy is used to probe the non-steady-state evolution of the valence band electronic structure of laser heated ultra-thin (50 nm) metal foils and bulk semiconductors. Single-shot soft x-ray laser induced time-of-flight photoelectron spectroscopy with picosecond time resolution was used in combination with optical measurements of the disassembly dynamics that have shown the existence of a metastable liquid phase in fs-laser heated metal foils persisting 4-5 ps. This metastable phase is studied using a 527 nm wavelength 400 fs laser pulse containing 0.3-2.5 mJ laser energy focused in a large 500 x 700 {micro}m{sup 2} spot to create heated conditions of 0.2-1.8 x 10{sup 12} W cm{sup -2} intensity. The unique LLNL COMET compact tabletop soft x-ray laser source provided the necessary high photon flux, highly monoenergetic, picosecond pulse duration, and coherence for observing the evolution of changes in the valence band electronic structure of laser heated metals and semiconductors with picosecond time resolution. This work demonstrates the continuing development of a powerful new technique for probing reaction dynamics and changes of local order on surfaces on their fundamental timescales including phenomena such as non-thermal melting, chemical bond formation, intermediate reaction steps, and the existence of transient reaction products.

  15. Perspective: Electrospray photoelectron spectroscopy: From multiply-charged anions to ultracold anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu [Department of Chemistry, Brown University, Providence, Rhode Island 02912 (United States)

    2015-07-28

    Electrospray ionization (ESI) has become an essential tool in chemical physics and physical chemistry for the production of novel molecular ions from solution samples for a variety of spectroscopic experiments. ESI was used to produce free multiply-charged anions (MCAs) for photoelectron spectroscopy (PES) in the late 1990 s, allowing many interesting properties of this class of exotic species to be investigated. Free MCAs are characterized by strong intramolecular Coulomb repulsions, which create a repulsive Coulomb barrier (RCB) for electron emission. The RCB endows many fascinating properties to MCAs, giving rise to meta-stable anions with negative electron binding energies. Recent development in the PES of MCAs includes photoelectron imaging to examine the influence of the RCB on the electron emission dynamics, pump-probe experiments to examine electron tunneling through the RCB, and isomer-specific experiments by coupling PES with ion mobility for biological MCAs. The development of a cryogenically cooled Paul trap has led to much better resolved PE spectra for MCAs by creating vibrationally cold anions from the room temperature ESI source. Recent advances in coupling the cryogenic Paul trap with PE imaging have allowed high-resolution PE spectra to be obtained for singly charged anions produced by ESI. In particular, the observation of dipole-bound excited states has made it possible to conduct vibrational autodetachment spectroscopy and resonant PES, which yield much richer vibrational spectroscopic information for dipolar free radicals than traditional PES.

  16. Direct experimental observation of the low ionization potentials of guanine in free oligonucleotides by using photoelectron spectroscopy

    OpenAIRE

    Yang, Xin; Wang, Xue-Bin; Vorpagel, Erich R.; Wang, Lai-Sheng

    2004-01-01

    Photodetachment photoelectron spectroscopy is used to probe the electronic structure of mono-, di-, and trinucleotide anions in the gas phase. A weak and well defined threshold band was observed in the photoelectron spectrum of 2′-deoxyguanosine 5′-monophosphate at a much lower ionization energy than the other three mononucleotides. Density function theory calculations revealed that this unique spectral feature is caused by electron-detachment from a π orbital of the guanine base on 2′-deoxyg...

  17. Resonance-enhanced multiphoton ionization photoelectron spectroscopy of Rydberg states of N2O below the X ionization limit

    OpenAIRE

    Scheper, C.R.; Kuijt, J.; Buma, W.J.; Lange

    1998-01-01

    A three-photon resonance-enhanced multiphoton ionization spectroscopic study on N2O is carried out in the spectral range from 80 000 cm - 1 up to the lowest ionization limit at 103 963 cm - 1. High-resolution photoelectron spectroscopy is used to identify and characterize the observed excited states. Eighteen origins are reported which have either not been assigned before or are reassigned now. Moreover, the photoelectron spectra taken at higher-lying resonances often show extensive vibronic ...

  18. High Resolution Angle Resolved Photoemission with Tabletop 11eV Laser

    CERN Document Server

    He, Yu; Yi, Ming; Yang, Shuolong; Liu, Zhongkai; Lee, James; Chen, Sudi; Rebec, Slavko; Leuenberger, Dominik; Zong, Alfred; Jefferson, Michael; Moore, Robert; Kirchmann, Patrick; Merriam, Andrew; Shen, Zhixun

    2015-01-01

    We developed a table-top vacuum ultraviolet (VUV) laser with $113.778$nm wavelength (10.897eV) and demonstrated its viability as a photon source for high resolution angle-resolved photoemission spectroscopy (ARPES). This sub-nanosecond pulsed VUV laser operates at a repetition rate of 10MHz, provides a flux of 2$\\times$10$^{12}$ photons/second, and enables photoemission with energy and momentum resolutions better than 2meV and 0.012\\AA$^{-1}$, respectively. Space-charge induced energy shifts and spectral broadenings can be reduced below 2meV. The setup reaches electron momenta up to 1.2\\AA$^{-1}$, granting full access to the first Brillouin zone of most materials. Control over the linear polarization, repetition rate, and photon flux of the VUV source facilitates ARPES investigations of a broad range of quantum materials, bridging the application gap between contemporary low energy laser-based ARPES and synchrotron-based ARPES. We describe the principles and operational characteristics of this source, and sho...

  19. Invited Article: High resolution angle resolved photoemission with tabletop 11 eV laser

    Energy Technology Data Exchange (ETDEWEB)

    He, Yu; Vishik, Inna M.; Yi, Ming; Yang, Shuolong; Lee, James J.; Chen, Sudi; Rebec, Slavko N.; Leuenberger, Dominik; Shen, Zhi-Xun [SIMES, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Liu, Zhongkai [SIMES, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Physics, Stanford University, Stanford, California 94305 (United States); Zong, Alfred [Department of Physics, Stanford University, Stanford, California 94305 (United States); Jefferson, C. Michael; Merriam, Andrew J. [Lumeras LLC, 207 McPherson St, Santa Cruz, California 95060 (United States); Moore, Robert G.; Kirchmann, Patrick S. [SIMES, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

    2016-01-15

    We developed a table-top vacuum ultraviolet (VUV) laser with 113.778 nm wavelength (10.897 eV) and demonstrated its viability as a photon source for high resolution angle-resolved photoemission spectroscopy (ARPES). This sub-nanosecond pulsed VUV laser operates at a repetition rate of 10 MHz, provides a flux of 2 × 10{sup 12} photons/s, and enables photoemission with energy and momentum resolutions better than 2 meV and 0.012 Å{sup −1}, respectively. Space-charge induced energy shifts and spectral broadenings can be reduced below 2 meV. The setup reaches electron momenta up to 1.2 Å{sup −1}, granting full access to the first Brillouin zone of most materials. Control over the linear polarization, repetition rate, and photon flux of the VUV source facilitates ARPES investigations of a broad range of quantum materials, bridging the application gap between contemporary low energy laser-based ARPES and synchrotron-based ARPES. We describe the principles and operational characteristics of this source and showcase its performance for rare earth metal tritellurides, high temperature cuprate superconductors, and iron-based superconductors.

  20. Invited Article: High resolution angle resolved photoemission with tabletop 11 eV laser.

    Science.gov (United States)

    He, Yu; Vishik, Inna M; Yi, Ming; Yang, Shuolong; Liu, Zhongkai; Lee, James J; Chen, Sudi; Rebec, Slavko N; Leuenberger, Dominik; Zong, Alfred; Jefferson, C Michael; Moore, Robert G; Kirchmann, Patrick S; Merriam, Andrew J; Shen, Zhi-Xun

    2016-01-01

    We developed a table-top vacuum ultraviolet (VUV) laser with 113.778 nm wavelength (10.897 eV) and demonstrated its viability as a photon source for high resolution angle-resolved photoemission spectroscopy (ARPES). This sub-nanosecond pulsed VUV laser operates at a repetition rate of 10 MHz, provides a flux of 2 × 10(12) photons/s, and enables photoemission with energy and momentum resolutions better than 2 meV and 0.012 Å(-1), respectively. Space-charge induced energy shifts and spectral broadenings can be reduced below 2 meV. The setup reaches electron momenta up to 1.2 Å(-1), granting full access to the first Brillouin zone of most materials. Control over the linear polarization, repetition rate, and photon flux of the VUV source facilitates ARPES investigations of a broad range of quantum materials, bridging the application gap between contemporary low energy laser-based ARPES and synchrotron-based ARPES. We describe the principles and operational characteristics of this source and showcase its performance for rare earth metal tritellurides, high temperature cuprate superconductors, and iron-based superconductors. PMID:26827301

  1. Very low energy photoelectron spectroscopy in multiphoton ionization of H2

    OpenAIRE

    Bordas, C.; Dyer, M.; Helm, H.

    1994-01-01

    We apply a novel photoelectron imaging spectrometer [1] to the energy and angular analysis of photoelectrons resulting from resonantly enhanced multiphoton ionization of H2. Photoelectron images with well resolved individual rotational structure of the resulting H2+ ion are obtained, demonstrating the capability of this technique for analyzing photoelectrons in the meV energy range.

  2. Ambient pressure photoelectron spectroscopy: a new tool for surface science and nanotechnology

    Energy Technology Data Exchange (ETDEWEB)

    Salmeron, Miquel; Salmeron, Miquel; Schlogl, Robert

    2008-03-12

    Progress in science often follows or parallels the development of new techniques. The optical microscope helped convert medicine and biology from a speculative activity in old times to today's sophisticated scientific disciplines. The telescope changed the study and interpretation of heavens from mythology to science. X-ray diffraction enabled the flourishing of solid state physics and materials science. The technique object of this review, Ambient Pressure Photoelectron Spectroscopy or APPES for short, has also the potential of producing dramatic changes in the study of liquid and solid surfaces, particularly in areas such as atmospheric, environment and catalysis sciences. APPES adds an important missing element to the host of techniques that give fundamental information, i.e., spectroscopy and microscopy, about surfaces in the presence of gases and vapors, as encountered in industrial catalysis and atmospheric environments. APPES brings electron spectroscopy into the realm of techniques that can be used in practical environments. Decades of surface science in ultra high vacuum (UHV) has shown the power of electron spectroscopy in its various manifestations. Their unique property is the extremely short elastic mean free path of electrons as they travel through condensed matter, of the order of a few atomic distances in the energy range from a few eV to a few thousand eV. As a consequence of this the information obtained by analyzing electrons emitted or scattered from a surface refers to the top first few atomic layers, which is what surface science is all about. Low energy electron diffraction (LEED), Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), Ultraviolet photoelectron spectroscopy (UPS), and other such techniques have been used for decades and provided some of the most fundamental knowledge about surface crystallography, composition and electronic structure available today. Unfortunately the high interaction cross section of

  3. 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.

  4. X-ray photoelectron spectroscopy investigations of zinc-magnesium alloy coated steel

    Energy Technology Data Exchange (ETDEWEB)

    Chen Sheng, E-mail: chen_sheng@baosteel.com [Research Institute of Baoshan Iron and Steel Co. Ltd., 655 Fujin Road, Baoshan District, Shanghai 201900 (China); Yan Fei; Xue Fei; Yang Lihong; Liu Junliang [Research Institute of Baoshan Iron and Steel Co. Ltd., 655 Fujin Road, Baoshan District, Shanghai 201900 (China)

    2010-11-01

    The coating layer composition depth profiles and element chemical states of zinc-magnesium alloy coated steel were investigated by X-ray photoelectron spectroscopy depth profiling. Through the analysis of photoelectron signals and Auger signals of different elements on different depth planes of the coating layer, it can be found that the surface of the coating layer contains MgCO{sub 3}, MgO, Mg(OH){sub 2}, metallic Mg, metallic Zn and some complex zinc compounds. Under the surface, there is a Zn{sub 2}Mg alloy layer with the thickness of about 300 nm accompanied with MgO and Mg(OH){sub 2} in the layer. There is a transitional layer with the thickness of about 200 nm between the Zn{sub 2}Mg alloy layer and the pure Zn layer, whose components consist of zinc-magnesium alloy without fixed stoichiometry, a little MgO and a little Mg(OH){sub 2}.

  5. X-ray photoelectron spectroscopy of graphitic carbon nanomaterials doped with heteroatoms.

    Science.gov (United States)

    Susi, Toma; Pichler, Thomas; Ayala, Paola

    2015-01-01

    X-ray photoelectron spectroscopy (XPS) is one of the best tools for studying the chemical modification of surfaces, and in particular the distribution and bonding of heteroatom dopants in carbon nanomaterials such as graphene and carbon nanotubes. Although these materials have superb intrinsic properties, these often need to be modified in a controlled way for specific applications. Towards this aim, the most studied dopants are neighbors to carbon in the periodic table, nitrogen and boron, with phosphorus starting to emerge as an interesting new alternative. Hundreds of studies have used XPS for analyzing the concentration and bonding of dopants in various materials. Although the majority of works has concentrated on nitrogen, important work is still ongoing to identify its precise atomic bonding configurations. In general, care should be taken in the preparation of a suitable sample, consideration of the intrinsic photoemission response of the material in question, and the appropriate spectral analysis. If this is not the case, incorrect conclusions can easily be drawn, especially in the assignment of measured binding energies into specific atomic configurations. Starting from the characteristics of pristine materials, this review provides a practical guide for interpreting X-ray photoelectron spectra of doped graphitic carbon nanomaterials, and a reference for their binding energies that are vital for compositional analysis via XPS.

  6. Ultrafast XUV Pulses at High Repetition Rate for Time Resolved Photoelectron Spectroscopy of Surface Dynamics

    Science.gov (United States)

    Corder, Christopher; Zhao, Peng; Li, Xinlong; Muraca, Amanda R.; Kershis, Matthew D.; White, Michael G.; Allison, Thomas K.

    2016-05-01

    Ultrafast photoelectron studies of surface dynamics are often limited by low repetition rates. At Stony Brook we have built a cavity-enhanced high-harmonic generation XUV source that delivers ultrafast pulses to a surface science apparatus for photoelectron spectroscopy. We begin with a Ytterbium fiber laser at a repetition rate of 78 MHz and up to 90 W of average power. After compression the pulses have μJ's of energy with high harmonic generation. The enhancement cavity is a six mirror double folded bow-tie geometry with a focus of 15 μm at a Krypton gas jet, followed by a Sapphire crystal at Brewster's angle for the fundamental to allow outcoupling of the harmonics. A single harmonic is selected using a time-preserving monochromator to maintain the short pulses, and is sent to an ultra high vacuum chamber with sample preparation and diagnostic tools as well as an electron energy spectrometer. This allows us to study the electronic dynamics of semiconductor surfaces and their interfaces with adsorbed molecules which enable various charge transfer effects. Supported by AFOSR.

  7. Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy.

    Science.gov (United States)

    Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

    2016-02-01

    We present a hierarchy of Fermi golden rules (FGRs) that incorporate strongly coupled electronic/nuclear dynamics in time-resolved photoelectron spectroscopy (TRPES) signals at different levels of theory. Expansion in the joint electronic and nuclear eigenbasis yields the numerically most challenging exact FGR (eFGR). The quasistatic Fermi Golden Rule (qsFGR) neglects nuclear motion during the photoionization process but takes into account electronic coherences as well as populations initially present in the pumped matter as well as those generated internally by coupling between electronic surfaces. The standard semiclassical Fermi Golden Rule (scFGR) neglects the electronic coherences and the nuclear kinetic energy during the ionizing pulse altogether, yielding the classical Condon approximation. The coherence contributions depend on the phase-profile of the ionizing field, allowing coherent control of TRPES signals. The photoelectron spectrum from model systems is simulated using these three levels of theory. The eFGR and the qsFGR show temporal oscillations originating from the electronic or vibrational coherences generated as the nuclear wave packet traverses a conical intersection. These oscillations, which are missed by the scFGR, directly reveal the time-evolving splitting between electronic states of the neutral molecule in the curve-crossing regime. PMID:26691822

  8. X-ray photoelectron spectroscopy of graphitic carbon nanomaterials doped with heteroatoms

    Directory of Open Access Journals (Sweden)

    Toma Susi

    2015-01-01

    Full Text Available X-ray photoelectron spectroscopy (XPS is one of the best tools for studying the chemical modification of surfaces, and in particular the distribution and bonding of heteroatom dopants in carbon nanomaterials such as graphene and carbon nanotubes. Although these materials have superb intrinsic properties, these often need to be modified in a controlled way for specific applications. Towards this aim, the most studied dopants are neighbors to carbon in the periodic table, nitrogen and boron, with phosphorus starting to emerge as an interesting new alternative. Hundreds of studies have used XPS for analyzing the concentration and bonding of dopants in various materials. Although the majority of works has concentrated on nitrogen, important work is still ongoing to identify its precise atomic bonding configurations. In general, care should be taken in the preparation of a suitable sample, consideration of the intrinsic photoemission response of the material in question, and the appropriate spectral analysis. If this is not the case, incorrect conclusions can easily be drawn, especially in the assignment of measured binding energies into specific atomic configurations. Starting from the characteristics of pristine materials, this review provides a practical guide for interpreting X-ray photoelectron spectra of doped graphitic carbon nanomaterials, and a reference for their binding energies that are vital for compositional analysis via XPS.

  9. Relaxation of Cs atomic polarization at surface coatings characterized by X-ray photoelectron spectroscopy

    CERN Document Server

    Kushida, K; Moriya, T; Shimizu, T; Meguro, K; Nakazawa, H; Hatakeyama, A

    2014-01-01

    Paraffin coatings on glass slides were investigated through both X-ray photoelectron spectroscopy (XPS) and spin relaxation measurement for cesium (Cs) vapor. The components of the glass substrate, such as silicon (Si) and oxygen (O), existed in the XPS spectra of the coated slides, indicating the imperfection of the prepared paraffin coatings. The substrate was not observed after the annealing of the coatings in Cs vapor, which is known as a `ripening' process for spin relaxation measurement. We found a general trend that effective anti-spin relaxation performance requires high paraffin and low Cs coverage on the surface. We also examined a type of diamond-like carbon (DLC) film, anticipating the effect of anti-spin relaxation; our attempts have failed to date.

  10. Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy

    CERN Document Server

    Ahmed, Marawan; Acres, Robert G; Prince, Kevin C

    2013-01-01

    The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using core and valence photoelectron spectroscopy and theoretical calculations. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yields cycloserine. Theory correctly predicts the C, N and O 1s core spectra, and additionally we report theoretical natural bond orbital (NBO) charges. The valence ionization energies are also in agreement with theory and previous measurements. Although the lowest binding energy part of the spectra of the two compounds show superficial similarities, analysis of the charge densities of the frontier orbitals indicates substantial reorganization of the wave functions as a result of isomerization. The Highest Occupied Molecular Orbital of CS has leading carbonyl {\\pi} character with contributions from other heavy atoms in the molecule, while the Highest Occupied Molecular Orbital of 2-oxazolidinone has leading nitrogen, carb...

  11. Self-assembled heterogeneous argon/neon core-shell clusters studied by photoelectron spectroscopy.

    Science.gov (United States)

    Lundwall, M; Pokapanich, W; Bergersen, H; Lindblad, A; Rander, T; Ohrwall, G; Tchaplyguine, M; Barth, S; Hergenhahn, U; Svensson, S; Björneholm, O

    2007-06-01

    Clusters formed by a coexpansion process of argon and neon have been studied using synchrotron radiation. Electrons from interatomic Coulombic decay as well as ultraviolet and x-ray photoelectron spectroscopy were used to determine the heterogeneous nature of the clusters and the cluster structure. Binary clusters of argon and neon produced by coexpansion are shown to exhibit a core-shell structure placing argon in the core and neon in the outer shells. Furthermore, the authors show that 2 ML of neon on the argon core is sufficient for neon valence band formation resembling the neon solid. For 1 ML of neon the authors observe a bandwidth narrowing to about half of the bulk value.

  12. 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.

  13. Prediction of protein interaction behaviour with PEG-grafted matrices using X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Damodaran, Vinod Babu; Fee, Conan J. [Biomolecular Interaction Centre, Department of Chemical and Process Engineering, University of Canterbury, Christchurch 8140 (New Zealand); Popat, Ketul C., E-mail: Ketul.Popat@colostate.edu [Biomaterials and Surface Micro/Nano-Engineering Laboratory, Department of Mechanical Engineering, School of Biomedical Engineering, Colorado State University, 1374 Campus Delivery, Fort Collins, CO 80523 (United States)

    2010-06-01

    Due to the considerable scientific and commercial interest in poly(ethylene glycol) (PEG) grafted solid surfaces for biomedical applications, it is important to characterize the properties and behaviour of these modified surfaces. In this study, we applied a unique method to predict the magnitude of interactive forces exerted between a globular protein and PEG-grafted matrices. Carboxyl functionalized solid matrices were covalently grafted with PEG-amine derivatives at varying PEG surface concentrations and layer thicknesses by controlling the grafting reaction parameters. X-ray photoelectron spectroscopy was used to characterize these PEG-grafted matrices using the standard overlay model. A detailed and systematic correlation between PEG layer thickness and the distance between the grafted PEG chains resulted in valuable information regarding protein interactions with these PEG-grafted matrices. Finally, this predicted interaction behaviour was validated with fluorescent images obtained from fluorescein isothiocyanate-labelled Cytochrome c-conjugated solid matrices using confocal laser scanning microscopy.

  14. Prediction of protein interaction behaviour with PEG-grafted matrices using X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Due to the considerable scientific and commercial interest in poly(ethylene glycol) (PEG) grafted solid surfaces for biomedical applications, it is important to characterize the properties and behaviour of these modified surfaces. In this study, we applied a unique method to predict the magnitude of interactive forces exerted between a globular protein and PEG-grafted matrices. Carboxyl functionalized solid matrices were covalently grafted with PEG-amine derivatives at varying PEG surface concentrations and layer thicknesses by controlling the grafting reaction parameters. X-ray photoelectron spectroscopy was used to characterize these PEG-grafted matrices using the standard overlay model. A detailed and systematic correlation between PEG layer thickness and the distance between the grafted PEG chains resulted in valuable information regarding protein interactions with these PEG-grafted matrices. Finally, this predicted interaction behaviour was validated with fluorescent images obtained from fluorescein isothiocyanate-labelled Cytochrome c-conjugated solid matrices using confocal laser scanning microscopy.

  15. Materials characterization by photoelectron spectroscopy; Caracterizacao de materiais por espectroscopia de fotoeletrons

    Energy Technology Data Exchange (ETDEWEB)

    Nascente, P.A.P., E-mail: nascente@ufscar.b [Universidade Federal de Sao Carlos (DEMa/UFSCar), SP (Brazil). Dept. de Engenharia de Materiais

    2010-07-01

    Low energy electrons are suitable for investigating surfaces due to their low mean free path in solids, which correspond to a few atomic layers (0.5 to 3.0 nm), and could be used in one of the following ways: incident electrons cause the emission of backscattered and secondary electrons and the electrons are excited by irradiated photons. The first case includes the emission of Auger electrons, while photoemission corresponds to the second case. X-ray photoelectron spectroscopy (XPS) is one of the most used surface analysis techniques since it is able to identify not only the surface constituents but also their chemical states. XPS can be employed in several areas of science and engineering, but in this report it will be presented only few examples of its use in the characterization of metallic materials, with an emphasis on thin films of noble and transition metals. (author)

  16. Aqueous solution/metal interfaces investigated in operando by photoelectron spectroscopy.

    Science.gov (United States)

    Karslıoğlu, O; Nemšák, S; Zegkinoglou, I; Shavorskiy, A; Hartl, M; Salmassi, F; Gullikson, E M; Ng, M L; Rameshan, Ch; Rude, B; Bianculli, D; Cordones, A A; Axnanda, S; Crumlin, E J; Ross, P N; Schneider, C M; Hussain, Z; Liu, Z; Fadley, C S; Bluhm, H

    2015-01-01

    We describe a new in operando approach for the investigation of heterogeneous processes at solid/liquid interfaces with elemental and chemical specificity which combines the preparation of thin liquid films using the meniscus method with standing wave ambient pressure X-ray photoelectron spectroscopy [Nemšák et al., Nat. Commun., 5, 5441 (2014)]. This technique provides information about the chemical composition across liquid/solid interfaces with sub-nanometer depth resolution and under realistic conditions of solution composition and concentration, pH, as well as electrical bias. In this article, we discuss the basics of the technique and present the first results of measurements on KOH/Ni interfaces. PMID:25912462

  17. Coincidence and covariance data acquisition in photoelectron and -ion spectroscopy. II. Analysis and applications

    Science.gov (United States)

    Mikosch, Jochen; Patchkovskii, Serguei

    2013-10-01

    We use an analytical theory of noisy Poisson processes, developed in the preceding companion publication, to compare coincidence and covariance measurement approaches in photoelectron and -ion spectroscopy. For non-unit detection efficiencies, coincidence data acquisition (DAQ) suffers from false coincidences. The rate of false coincidences grows quadratically with the rate of elementary ionization events. To minimize false coincidences for rare event outcomes, very low event rates may hence be required. Coincidence measurements exhibit high tolerance to noise introduced by unstable experimental conditions. Covariance DAQ on the other hand is free of systematic errors as long as stable experimental conditions are maintained. In the presence of noise, all channels in a covariance measurement become correlated. Under favourable conditions, covariance DAQ may allow orders of magnitude reduction in measurement times. Finally, we use experimental data for strong-field ionization of 1,3-butadiene to illustrate how fluctuations in experimental conditions can contaminate a covariance measurement, and how such contamination can be detected.

  18. Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zanni, Martin T.

    1999-12-17

    This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.

  19. Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

    International Nuclear Information System (INIS)

    This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents

  20. [Surface and interface analysis of PTCDA/ITO using X-ray photoelectron spectroscopy (XPS)].

    Science.gov (United States)

    Ou, Gu-ping; Song, Zhen; Gui, Wen-ming; Zhang, Fu-jia

    2006-04-01

    X-ray photoelectron spectroscopy (XPS) of surface and interface of PTCDA/ITO in PTCDA/p-Si organic-on-inorganic photoelectric detector was investigated. From C1s fine spectrum we found that the binding energy of C atoms in perylene rings was 284.6 eV; and the binding energy of C atoms in acid radical was 288.7 eV; moreover, some C atoms were oxidized by O atoms from ITO. The binding energy of O atoms in C=O bonds and C-O-C bonds was 531.5 and 533.4 eV, respectively. At the interface, the peak of high binding energy in C1s spectrum disappeared, and the main peak shifted toward lower binding energy.

  1. Thermal oxidation of vanadium-free Ti alloys: An X-ray photoelectron spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, Maria Francisca, E-mail: mflopez@icmm.csic.es [Department of Surfaces and Coatings, ICMM-CSIC, Sor Juana Ines de la Cruz, 3, Cantoblanco, 28049 Madrid (Spain); Gutierrez, Alejandro [Departamento de Fisica Aplicada and Instituto Nicolas Cabrera, Universidad Autonoma de Madrid, Cantoblanco, E-28049 Madrid (Spain); Jimenez, Jose Antonio [Centro Nacional de Investigaciones Metalurgicas, CSIC, Avda. Gregorio del Amo 8, E-28040 Madrid (Spain); Martinesi, Maria; Stio, Maria; Treves, Cristina [Department of Biochemical Sciences of University of Florence, Viale Morgagni 50, 50134 Florence (Italy)

    2010-04-06

    In the present work, X-ray photoelectron spectroscopy (XPS) was used to study the surface chemical composition of three alloys for biomedical applications: Ti-7Nb-6Al, Ti-13Nb-13Zr and Ti-15Zr-4Nb. The surface of these alloys was modified by annealing in air at 750 deg. C for different times with the aim of developing an oxide thick layer on top. The evolution of surface composition with annealing time was studied by XPS, and compared with the composition of the native oxide layer present on the samples before annealing. Two different oxidation trends were observed depending on the alloying elements and their corresponding diffusion kinetics, which give rise to different chemical species at the topmost layers. These results were linked with an evaluation of the biological response of the alloys by bringing them in contact with human peripheral blood mononuclear cells (PBMC).

  2. Structural analysis of carbon materials by X-ray photoelectron spectroscopy using computational chemistry

    International Nuclear Information System (INIS)

    X-ray photoelectron spectroscopy (XPS) has been frequently utilized to analyze the structures of carbon materials. However, few types of defects such as functional groups have been identified and reported, and some of these assignments are controversial. For example, the structures of oxygen-containing functional groups of carbon materials such as graphite oxide and graphene oxide are still under debate. Reported assignments for the C1s spectra of nitrogen-containing functional groups in carbon materials are few and there has been little discussion of such spectra. One effective method to clarify the structures of carbon materials in detail is simulation of XPS spectra using computational chemistry. This work explains the current problems for the XPS analysis of the C1s spectra of carbon materials and suggests the peak positions of various oxygen- and nitrogen-containing functional groups in addition to their full width at half maximum. (author)

  3. Thermal oxidation of vanadium-free Ti alloys: An X-ray photoelectron spectroscopy study

    International Nuclear Information System (INIS)

    In the present work, X-ray photoelectron spectroscopy (XPS) was used to study the surface chemical composition of three alloys for biomedical applications: Ti-7Nb-6Al, Ti-13Nb-13Zr and Ti-15Zr-4Nb. The surface of these alloys was modified by annealing in air at 750 deg. C for different times with the aim of developing an oxide thick layer on top. The evolution of surface composition with annealing time was studied by XPS, and compared with the composition of the native oxide layer present on the samples before annealing. Two different oxidation trends were observed depending on the alloying elements and their corresponding diffusion kinetics, which give rise to different chemical species at the topmost layers. These results were linked with an evaluation of the biological response of the alloys by bringing them in contact with human peripheral blood mononuclear cells (PBMC).

  4. Disentangling Multichannel Photodissociation Dynamics in Acetone by Time-Resolved Photoelectron-Photoion Coincidence Spectroscopy.

    Science.gov (United States)

    Maierhofer, Paul; Bainschab, Markus; Thaler, Bernhard; Heim, Pascal; Ernst, Wolfgang E; Koch, Markus

    2016-08-18

    For the investigation of photoinduced dynamics in molecules with time-resolved pump-probe photoionization spectroscopy, it is essential to obtain unequivocal information about the fragmentation behavior induced by the laser pulses. We present time-resolved photoelectron-photoion coincidence (PEPICO) experiments to investigate the excited-state dynamics of isolated acetone molecules triggered by two-photon (269 nm) excitation. In the complex situation of different relaxation pathways, we unambiguously identify three distinct pump-probe ionization channels. The high selectivity of PEPICO detection allows us to observe the fragmentation behavior and to follow the time evolution of each channel separately. For channels leading to fragment ions, we quantitatively obtain the fragment-to-parent branching ratio and are able to determine experimentally whether dissociation occurs in the neutral molecule or in the parent ion. These results highlight the importance of coincidence detection for the interpretation of time-resolved photochemical relaxation and dissociation studies if multiple pathways are present.

  5. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O3-. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO2, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C2- - C11-), and van der Waals clusters (X-(CO2)n, X = I, Br, Cl; n ≤ 13 and I- (N2O)n=1--11). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X-(CO2)n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products

  6. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, D.W.

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O{sub 3}{sup {minus}}. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO{sub 2}, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO{sub 2} molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO{sub 2} reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C{sub 2}{sup {minus}} {minus} C{sub 11}{sup {minus}}), and van der Waals clusters (X{sup {minus}}(CO{sub 2}){sub n}, X = I, Br, Cl; n {le} 13 and I{sup {minus}} (N{sub 2}O){sub n=1--11}). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X{sup {minus}}(CO{sub 2})n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products.

  7. UV-Raman spectroscopy, X-ray photoelectron spectroscopy, and temperature programmed desorption studies of model and bulk heterogeneous catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Tewell, Craig R.

    2002-08-19

    X-ray photoelectron spectroscopy (XPS) and Temperature Programmed Desorption (TPD) have been used to investigate the surface structure of model heterogeneous catalysts in ultra-high vacuum (UHV). UV-Raman spectroscopy has been used to probe the structure of bulk model catalysts in ambient and reaction conditions. The structural information obtained through UV-Raman spectroscopy has been correlated with both the UHV surface analysis and reaction results. The present day propylene and ethylene polymerization catalysts (Ziegler-Natta catalysts) are prepared by deposition of TiCl{sub 4} and a Al(Et){sub 3} co-catalyst on a microporous Mg-ethoxide support that is prepared from MgCl{sub 2} and ethanol. A model thin film catalyst is prepared by depositing metallic Mg on a Au foil in a UHV chamber in a background of TiCl{sub 4} in the gas phase. XPS results indicate that the Mg is completely oxidized to MgCl{sub 2} by TiCl{sub 4} resulting in a thin film of MgCl{sub 2}/TiCl{sub x}, where x = 2, 3, and 4. To prepare an active catalyst, the thin film of MgCl{sub 2}/TiCl{sub x} on Au foil is enclosed in a high pressure cell contained within the UHV chamber and exposed to {approx}1 Torr of Al(Et){sub 3}.

  8. Valence Electronic Structure of Oxygen-Modified α-Mo2C(0001) Surface:. Angle-Resolved Photoemission Study

    Science.gov (United States)

    Kato, M.; Ozawa, K.; Sato, T.; Edamoto, K.

    Adsorption of oxygen on α-Mo2C(0001) is investigated with Auger electron spectroscopy (AES), low-energy electron diffraction (LEED) and angle-resolved photoemission spectroscopy (ARPES) utilizing synchrotron radiation. It is found that C KLL Auger peak intensity does not change during O2 exposure, indicating that the depletion of C atoms does not proceed. It is deduced from ARPES and LEED results that adsorbed oxygen atoms from a well-ordered (1 × 1) lattice on the α-Mo2C(0001) surface. The ARPES study shows that oxygen adsorption induces a peculiar state around Fermi level (EF). Off-normal-emission measurements prove that the state is a half-filled metallic state.

  9. Electronic structure simulation of chromium aluminum oxynitride by discrete variational-X alpha method and X-ray photoelectron spectroscopy

    CERN Document Server

    Choi, Y; Lee, J D; Kim, E; No, K

    2002-01-01

    We use a first-principles discrete variational (DV)-X alpha method to investigate the electronic structure of chromium aluminum oxynitride. When nitrogen is substituted for oxygen in the Cr-Al-O system, the N2p level appears in the energy range between O2p and Cr3d levels. Consequently, the valence band of chromium aluminum oxynitride becomes broader and the band gap becomes smaller than that of chromium aluminum oxide, which is consistent with the photoelectron spectra for the valence band using X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). We expect that this valence band structure of chromium aluminum oxynitride will modify the transmittance slope which is a requirement for photomask application.

  10. Challenges for lithium species identification in complementary Auger and X-ray photoelectron spectroscopy

    Science.gov (United States)

    Hoffmann, M.; Zier, M.; Oswald, S.; Eckert, J.

    2015-08-01

    The combination of high spatial resolution and near-surface chemical information makes Auger electron spectroscopy (AES) a powerful tool for comprehensive surface analysis. The recent interest in lithium metal as an active material in lithium sulphur or lithium air batteries increases the demand for a thorough knowledge of the reactions happening at the electrode interface. Applying AES to the complex surfaces of batteries, however, requires a detailed understanding of the interactions occurring with the highly reactive materials during investigation, especially when using metallic lithium with its passivation layers formed even under glove box atmosphere. The article is focused on the influence of electron beam damage and residual gas under ultra-high vacuum conditions on the observations made. Immediate irradiation effects are shown to highly depend on electron dose leading to misinterpretation the surface composition and a non-sufficient stability of the sample. The results are further supported by coupled X-ray photoelectron spectroscopy (XPS) measurements that help to understand the beam induced phenomena. An improved output of the spectroscopic measurement could be achieved employing AES mappings. This allows an improved insight into the local distribution of different lithium compounds in the material surface and can also be applied to other battery active materials.

  11. Investigations into the electronic structure of the high-Tc superconductors by means of photoelectron spectroscopy

    International Nuclear Information System (INIS)

    The electronic structure of various polycrystalline samples including the new YBaCuO- and BiCaSrCuO- high Tc superconductors (HTSC) and related systems is investigated by photoelectron spectroscopy. Additional characterization is performed by conductivity measurements. In particular, the binding energy of the Cu-2p3/2- and the O-1s-levels of various HTSC is determined. For the first time the controversial 531 eV oxygen line was shown to be an intrinsic electronic structure effect. Sintered CuO-samples are obtained for the first time. The electronic structure of the sintered CuO turns out to be drastically different with respect to pressed CuO powder. For the first time a crossover resonance from a O-1s- into a Cu-3d-level was observed with synchrotron radiation. This is additional evidence for the strong hybridization between the Cu-3d and the O-2p states. Photoemission spectroscopy shows that the holes in the HTSC's are located at the oxygen p-band. Fe and Al overlayers on the HTSC-samples induce a drastic change in the electronic properties of the interface: apparently oxygen is removed from the HTSC to the overlayer. (orig./BHO)

  12. Fessibility Study on Nitrogen in Explosives using X-ray Photoelectron Spectroscopy: Chemical Fertilizer

    International Nuclear Information System (INIS)

    It was known that an explosive is defined as a material which contains a large amount of energy stored in chemical bonds. The energetic stability of gaseous products, and hence, their generation come from the strong bond formation of carbon (mono/di)oxide and (di)nitrogen. Consequently, most commercial explosives are contained -NO2, -ONO2 and/or -NHNO2 groups which when detonated release gases like the aforementioned ones, e.g., nitroglycerin, TNT, HMX, PETN, nitrocellulose, etc. It was revealed that the elemental compositions, especially N was found in most of the explosive and fertilizer. Chemical fertilizers that used as explosive stimulants were analyzed using X-ray photoelectron spectroscopy (XPS) and scanning electron microscope coupled with energy-dispersive X-ray fluorescence spectroscopy (SEM-EDS). XPS spectra showed relatively high amount of nitrogen (N) in the various samples, especially sample #6 and #7. In addition, the elemental analysis revealed the presence of trace elements. Explosives and fertilizers have differences in specific compositions. It can be concluded that these methods seem to be used as a fingerprint examination to identify various kinds of explosives and fertilizers.

  13. [Characterization of biochar by X-ray photoelectron spectroscopy and 13C nuclear magnetic resonance].

    Science.gov (United States)

    Xu, Dong-yu; Jin, Jie; Yan, Yu; Han, Lan-fang; Kang, Ming-jie; Wang, Zi-ying; Zhao, Ye; Sun, Ke

    2014-12-01

    The wood (willow branch) and grass (rice straw) materials were pyrolyzed at different temperatures (300, 450 and 600 °C) to obtain the biochars used in the present study. The biochars were characterized using elementary analysis, X-ray photoelectron spectroscopy (XPS) and solid state 13C cross-polarization and magic angle spinning nuclear magnetic resonance spectroscopy (13C NMR) to illuminate the structure and composition of the biochars which were derived from the different thermal temperatures and biomass. The results showed that the H/C, O/C and (O+N)/C ratios of the biochars decreased with the increase in the pyrolysis temperatures. The surface polarity and ash content of the grass-derived biochars were higher than those of the wood-derived biochars. The minerals of the wood-derived biochars were mainly covered by the organic matter; in contrast, parts of the mineral surfaces of the grass-derived biochars were not covered by organic matter? The 13C NMR of the low temperature-derived biochars revealed a large contribution of aromatic carbon, aliphatic carbon, carboxyl and carbonyl carbon, while the high temperature-derived biochars contained a large amount of aromatic carbon. Moreover, the wood-derived biochars produced at low heat treatment temperatures contained more lignin residues than grass-derived ones, probably due to the existence of high lignin content in the feedstock soures of wood-derived biochars. The results of the study would be useful for environmental application of biochars.

  14. Investigating Surface and Interface Phenomena in LiFeBO3 Electrodes Using Photoelectron Spectroscopy Depth Profiling

    DEFF Research Database (Denmark)

    Maibach, Julia; Younesi, Reza; Schwarzburger, Nele;

    2014-01-01

    The formation of surface and interface layers at the electrodes is highly important for the performance and stability of lithium ion batteries. To unravel the surface composition of electrode materials, photoelectron spectroscopy (PES) is highly suitable as it probes chemical surface and interfac...

  15. X-ray photoelectron spectroscopy of nano-multilayered Zr-O/Al-O coatings deposited by cathodic vacuum arc plasma

    International Nuclear Information System (INIS)

    Nano-multilayered Zr-O/Al-O coatings with alternating Zr-O and Al-O layers having a bi-layer period of 6-7 nm and total coating thickness of 1.0-1.2 μm were deposited using a cathodic vacuum arc plasma process on rotating Si substrates. Plasmas generated from two cathodes, Zr and Al, were deposited simultaneously in a mixture of Ar and O2 background gases. The Zr-O/Al-O coatings, as well as bulk ZrO2 and Al2O3 reference samples, were studied using X-ray photoelectron spectroscopy (XPS). The XPS spectra were analyzed on the surface and after sputtering with a 4 kV Ar+ ion gun. High resolution angle resolved spectra were obtained at three take-off angles: 15o, 45o and 75o relative to the sample surface. It was shown that preferential sputtering of oxygen took place during XPS of bulk reference ZrO2 samples, producing ZrO and free Zr along with ZrO2 in the XPS spectra. In contrast, no preferential sputtering was observed with Al2O3 reference samples. The Zr-O/Al-O coatings contained a large amount of free metals along with their oxides. Free Zr and Al were observed in the coating spectra both before and after sputtering, and thus cannot be due solely to preferential sputtering. Transmission electron microscopy revealed that the Zr-O/Al-O coatings had a nano-multilayered structure with well distinguished alternating layers. However, both of the alternating layers of the coating contained of a mixture of aluminum and zirconium oxides and free Al and Zr metals. The concentration of Zr and Al changed periodically with distance normal to the coating surface: the Zr maximum coincided with the Al minimum and vice versa. However the concentration of Zr in both alternating layers was significantly larger than that of Al. Despite the large free metal concentration, the Knoop hardness, 21.5 GPa, was relatively high, which might be attributed to super-lattice formation or formation of a metal-oxide nanocomposite within the layers.

  16. Structural studies of molecular and metallic overlayers using angle- resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Z.

    1992-10-01

    Angle-resolved photoemission extended fine structure (ARPEFS) was used to study molecular and metallic overlayers on metal surfaces through analysis of p2mg(2[times]1)CO/Ni(110) and the p(2[times]2)K/Ni(111) adsorption. For the dense p2mg(2[times]1)CO/Ni(110) surface layer, photoemission intensities from C 1s level were measured in three directions at photoelectron kinetic energies 60-400 eV. Using multiple-scattering spherical-wave (MSSW) modeling, it was found that CO molecules are adsorbed on short-bridge sites, with adjacent CO along the [110] direction displaced alternatively in opposite directions towards the [001] azimuths to form a zigzag chain geometry. The tilt angle is 16[plus minus]2[degree] from the surface normal for the direction linking the C atom and the center of the Ni bridge. The carbon C-Ni interatomic distance was determined to be 1.94[plus minus]0.02[Angstrom]. The first- to second-layer spacing of Ni is 1.27[plus minus]0.04[Angstrom], up from 1.10[Angstrom] for the clean Ni(110) surface, but close to the 1.25[Angstrom] Ni interlayer spacing in the bulk. The C-O bond length and tilt angle were varied within small ranges (1.10--1.20[Angstrom] and 15--23[degrees]) in our MSSW simulations. Best agreement between experiment and simulations was achieved at 1.16[Angstrom] and 19[degrees]. This yields an O-O distance of 2.95[Angstrom] for the two nearest CO molecules, (van der Waals' radius [approximately] 1.5 [Angstrom] for oxygen). Two different partial-wave phase-shifts were used in MSSW, and structural results from both are in very good agreement. For the p(2[times]2)K/Ni(111) overlayer, ARPEFS [chi](k) curves from K 1s level measured along [111] and [771] at 130K showed that the K atoms are preferentially adsorbed on the atop sites, in agreement with a LEED study of the same system.

  17. Structural studies of molecular and metallic overlayers using angle- resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Z.

    1992-10-01

    Angle-resolved photoemission extended fine structure (ARPEFS) was used to study molecular and metallic overlayers on metal surfaces through analysis of p2mg(2{times}1)CO/Ni(110) and the p(2{times}2)K/Ni(111) adsorption. For the dense p2mg(2{times}1)CO/Ni(110) surface layer, photoemission intensities from C 1s level were measured in three directions at photoelectron kinetic energies 60-400 eV. Using multiple-scattering spherical-wave (MSSW) modeling, it was found that CO molecules are adsorbed on short-bridge sites, with adjacent CO along the [110] direction displaced alternatively in opposite directions towards the [001] azimuths to form a zigzag chain geometry. The tilt angle is 16{plus_minus}2{degree} from the surface normal for the direction linking the C atom and the center of the Ni bridge. The carbon C-Ni interatomic distance was determined to be 1.94{plus_minus}0.02{Angstrom}. The first- to second-layer spacing of Ni is 1.27{plus_minus}0.04{Angstrom}, up from 1.10{Angstrom} for the clean Ni(110) surface, but close to the 1.25{Angstrom} Ni interlayer spacing in the bulk. The C-O bond length and tilt angle were varied within small ranges (1.10--1.20{Angstrom} and 15--23{degrees}) in our MSSW simulations. Best agreement between experiment and simulations was achieved at 1.16{Angstrom} and 19{degrees}. This yields an O-O distance of 2.95{Angstrom} for the two nearest CO molecules, (van der Waals` radius {approximately} 1.5 {Angstrom} for oxygen). Two different partial-wave phase-shifts were used in MSSW, and structural results from both are in very good agreement. For the p(2{times}2)K/Ni(111) overlayer, ARPEFS {chi}(k) curves from K 1s level measured along [111] and [771] at 130K showed that the K atoms are preferentially adsorbed on the atop sites, in agreement with a LEED study of the same system.

  18. Maximum information photoelectron metrology

    CERN Document Server

    Hockett, P; Wollenhaupt, M; Baumert, T

    2015-01-01

    Photoelectron interferograms, manifested in photoelectron angular distributions (PADs), are a high-information, coherent observable. In order to obtain the maximum information from angle-resolved photoionization experiments it is desirable to record the full, 3D, photoelectron momentum distribution. Here we apply tomographic reconstruction techniques to obtain such 3D distributions from multiphoton ionization of potassium atoms, and fully analyse the energy and angular content of the 3D data. The PADs obtained as a function of energy indicate good agreement with previous 2D data and detailed analysis [Hockett et. al., Phys. Rev. Lett. 112, 223001 (2014)] over the main spectral features, but also indicate unexpected symmetry-breaking in certain regions of momentum space, thus revealing additional continuum interferences which cannot otherwise be observed. These observations reflect the presence of additional ionization pathways and, most generally, illustrate the power of maximum information measurements of th...

  19. Surface crystallography by photoelectrons diffraction W(110), Pr(111) and Pt50 Ni50 (111)

    International Nuclear Information System (INIS)

    Photoelectron diffraction at low and high kinetic energies was used to study the cristalline structures of clean single crystal surfaces. W(110) was studied at low electron kinetic energies (50Ni50(111) single crystals by angle-resolved X-ray photoelectron spectroscopy. It was shown that at these energies, diffraction patterns were mainly due to forward-scattering of the photoelectrons, resulting in focalisation along major internuclear crystal axes. Hence, this method was shown to be a good probe of crystalline structure. Surface segregation of platinum in the alloy was also shown. The diffraction features obtained were interpreted using multiple-scattering theory. The ability of this theoretical model to correctly predict experimental diffraction features was also demonstrated. These results are promising because they link the crystallographic aspect of diffraction to the chemical and electronic aspects of ESCA

  20. Electrochemical impedance spectroscopy and X-ray photoelectron spectroscopy study of the corrosion behaviour of galvanized steel and electroplating steel

    Energy Technology Data Exchange (ETDEWEB)

    Lebrini, M., E-mail: mlebrini@yahoo.fr [Laboratoire des Procedes d' Elaboration des Revetements Fonctionnels, PERF-LSPES UMR CNRS 8008, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Traisnel, M. [Laboratoire des Procedes d' Elaboration des Revetements Fonctionnels, PERF-LSPES UMR CNRS 8008, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Gengembre, L. [Unite de Catalyse et Chimie du solide UMR 8181 Bat C3, USTL, F-59655, Villeneuve d' Ascq Cedex (France); Fontaine, G. [Laboratoire des Procedes d' Elaboration des Revetements Fonctionnels, PERF-LSPES UMR CNRS 8008, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Lerasle, O.; Genet, N. [TOTAL France, Centre de Recherche de Solaize, Chemin du canal, BP 22, F-69360 Solaize (France)

    2011-02-01

    The efficiency of a formula containing 2-{l_brace}(2-hydroxyethyl)[(4-methyl-1H-1,2,3-benzotriazol-1-yl)methyl] amino{r_brace}ethanol (tolyltriazole) and decanoic acid as corrosion inhibitor for galvanized steel and electroplating steel in aqueous solution have been determined by electrochemical impedance spectroscopy (EIS) techniques. The experimental data obtained from this method show a frequency distribution and therefore a modelling element with frequency dispersion behaviour, a constant phase element (CPE) has been used. The corrosion behaviour in the presence of different concentration of decanoic acid (DA) in the formula was also investigated by EIS. Results obtained reveal that, the formula is a good inhibitor for galvanized steel and electroplating steel in aqueous solution, the better performance was obtained in the case of galvanized steel. The ability of the inhibitor to be adsorbed on the surface was dependent on the nature of metal. X-ray photoelectron spectroscopy surface analysis with inhibitor shows that it's chemisorbed at the galvanized and electroplating steel/aqueous solution interface.

  1. Capturing interfacial photoelectrochemical dynamics with picosecond time-resolved X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Neppl, Stefan; Shavorskiy, Andrey; Zegkinoglou, Ioannis; Fraund, Matthew; Slaughter, Daniel S; Troy, Tyler; Ziemkiewicz, Michael P; Ahmed, Musahid; Gul, Sheraz; Rude, Bruce; Zhang, Jin Z; Tremsin, Anton S; Glans, Per-Anders; Liu, Yi-Sheng; Wu, Cheng Hao; Guo, Jinghua; Salmeron, Miquel; Bluhm, Hendrik; Gessner, Oliver

    2014-01-01

    Time-resolved core-level spectroscopy using laser pulses to initiate and short X-ray pulses to trace photoinduced processes has the unique potential to provide electronic state- and atomic site-specific insight into fundamental electron dynamics in complex systems. Time-domain studies using transient X-ray absorption and emission techniques have proven extremely valuable to investigate electronic and structural dynamics in isolated and solvated molecules. Here, we describe the implementation of a picosecond time-resolved X-ray photoelectron spectroscopy (TRXPS) technique at the Advanced Light Source (ALS) and its application to monitor photoinduced electron dynamics at the technologically pertinent interface formed by N3 dye molecules anchored to nanoporous ZnO. Indications for a dynamical chemical shift of the Ru3d photoemission line originating from the N3 metal centre are observed ∼30 ps after resonant HOMO-LUMO excitation with a visible laser pump pulse. The transient changes in the TRXPS spectra are accompanied by a characteristic surface photovoltage (SPV) response of the ZnO substrate on a pico- to nanosecond time scale. The interplay between the two phenomena is discussed in the context of possible electronic relaxation and recombination pathways that lead to the neutralisation of the transiently oxidised dye after ultrafast electron injection. A detailed account of the experimental technique is given including an analysis of the chemical modification of the nano-structured ZnO substrate during extended periods of solution-based dye sensitisation and its relevance for studies using surface-sensitive spectroscopy techniques.

  2. Ambient pressure photoelectron spectroscopy: a new tool for surface science and nanotechnology

    Energy Technology Data Exchange (ETDEWEB)

    Salmeron, Miquel; Salmeron, Miquel; Schlogl, Robert

    2008-03-12

    Progress in science often follows or parallels the development of new techniques. The optical microscope helped convert medicine and biology from a speculative activity in old times to today's sophisticated scientific disciplines. The telescope changed the study and interpretation of heavens from mythology to science. X-ray diffraction enabled the flourishing of solid state physics and materials science. The technique object of this review, Ambient Pressure Photoelectron Spectroscopy or APPES for short, has also the potential of producing dramatic changes in the study of liquid and solid surfaces, particularly in areas such as atmospheric, environment and catalysis sciences. APPES adds an important missing element to the host of techniques that give fundamental information, i.e., spectroscopy and microscopy, about surfaces in the presence of gases and vapors, as encountered in industrial catalysis and atmospheric environments. APPES brings electron spectroscopy into the realm of techniques that can be used in practical environments. Decades of surface science in ultra high vacuum (UHV) has shown the power of electron spectroscopy in its various manifestations. Their unique property is the extremely short elastic mean free path of electrons as they travel through condensed matter, of the order of a few atomic distances in the energy range from a few eV to a few thousand eV. As a consequence of this the information obtained by analyzing electrons emitted or scattered from a surface refers to the top first few atomic layers, which is what surface science is all about. Low energy electron diffraction (LEED), Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), Ultraviolet photoelectron spectroscopy (UPS), and other such techniques have been used for decades and provided some of the most fundamental knowledge about surface crystallography, composition and electronic structure available today. Unfortunately the high interaction cross section of

  3. Total photoelectron yield spectroscopy of diamond: teaching an old dog new tricks

    International Nuclear Information System (INIS)

    Full text: Total photoelectron yield spectroscopy (Yield) has been widely used in the past to determine the work function of metals, and the density of tail and gap states in amorphous semiconductors and at the Si/SiO2 interface, for example. In all cases advantage is taken of the unrivalled sensitivity of yield which covers more than eight orders of magnitude in the density of occupied states. However, like all photoelectron spectroscopies, Yield suffers from a short sampling depth that seldom exceeds a few nm and is determined by the inelastic mean free path of electrons with finite kinetic energies. The situation changes completely when a semiconductor with true negative electron affinity such as hydrogenated diamond is used where the vacuum level falls below the conduction band minimum. Now even electrons at the conduction band minimum contribute to the yield and the spectrum reflects the absorption process as well as the transport of thermalized electrons and excitons to the surface as has been discussed first by Bandis and Pate. Here, we have utilized yield spectra of hydrogenated homoepitaxial diamond layers with different thicknesses to determine the diffusion lengths of electrons and excitons in diamond which amount to 16 and 20 μm, respectively for the highest quality diamond. Furthermore, from changes in the relative contributions of exciton and electron excitations to the yield spectra we are able to extract the sign of subsurface band bending over the diffusion length in hydrogenated diamond. This is so because electrons are affected by the electric fields connected with band bending whereas excitons as neutral entities are not. By following the band bending as a function of surface treatment we are able to unravel the mechanism behind the p-type surface conductivity that is observed on hydrogenated diamond surfaces after exposure to air. The mechanism relies on a transfer of electrons from diamond to a redox couple in an aqueous surface layer that

  4. Nodal Quasiparticle Meltdown in Ultra-High Resolution Pump-Probe Angle-Resolved Photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Graf, Jeff; Jozwiak, Chris; Smallwood, Chris L.; Eisaki, H.; Kaindl, Robert A.; Lee, Dung-Hai; Lanzara, Alessandra

    2011-06-03

    High-T{sub c} cuprate superconductors are characterized by a strong momentum-dependent anisotropy between the low energy excitations along the Brillouin zone diagonal (nodal direction) and those along the Brillouin zone face (antinodal direction). Most obvious is the d-wave superconducting gap, with the largest magnitude found in the antinodal direction and no gap in the nodal direction. Additionally, while antin- odal quasiparticle excitations appear only below T{sub c}, superconductivity is thought to be indifferent to nodal excitations as they are regarded robust and insensitive to T{sub c}. Here we reveal an unexpected tie between nodal quasiparticles and superconductivity using high resolution time- and angle-resolved photoemission on optimally doped Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} . We observe a suppression of the nodal quasiparticle spectral weight following pump laser excitation and measure its recovery dynamics. This suppression is dramatically enhanced in the superconducting state. These results reduce the nodal-antinodal dichotomy and challenge the conventional view of nodal excitation neutrality in superconductivity. The electronic structures of high-Tc cuprates are strongly momentum-dependent. This is one reason why the momentum-resolved technique of angle-resolved photoemission spectroscopy (ARPES) has been a central tool in the field of high-temperature superconductivity. For example, coherent low energy excitations with momenta near the Brillouin zone face, or antinodal quasiparticles (QPs), are only observed below T{sub c} and have been linked to superfluid density. They have therefore been the primary focus of ARPES studies. In contrast, nodal QPs, with momenta along the Brillouin zone diagonal, have received less attention and are usually regarded as largely immune to the superconducting transition because they seem insensitive to perturbations such as disorder, doping, isotope exchange, charge ordering, and temperature. Clearly

  5. Surface band structure of CdTe(111)-2 × 2 by angle-resolved photoemission

    Science.gov (United States)

    Janowitz, C.; Manzke, R.; Skibowski, M.; Orlowski, B. A.

    1991-05-01

    The surface band structure of non-cleavable CdTe(111)-2 × 2 reconstructed surfaces is determined by means of angle-resolved photoemission and constant-final-state (CFS) spectroscopy. The experiments were performed with He I radiation and synchrotron radiation from the DORIS II storage ring at HASYLAB. High-quality (111)-2 × 2 surfaces were prepared by sputtering and annealing controlled by electron diffraction (LEED and RHEED). In order to distinguish between surface and bulk related emissions in the spectra we utilized, besides the criteria that the k∥ dispersion of surface states should reveal the 2 × 2 periodicity of the surfac mesh, also photon energy dependent CFS series at several critical points of the surface Brillouin zone. The data on CdTe(111) will be compared with experimental and theoretical results which are available for the electronically similar GaAs(111) surface.

  6. Method to map one-dimensional electronic wave function by using multiple Brillouin zone angle resolved photoemission

    Directory of Open Access Journals (Sweden)

    Dong-Wook Lee

    2010-10-01

    Full Text Available Angle resolved photoemission spectroscopy (ARPES is a powerful tool to investigate electronic structures in solids and has been widely used in studying various materials. The electronic structure information by ARPES is obtained in the momentum space. However, in the case of one-dimensional system, we here show that we extract the real space information from ARPES data taken over multiple Brillouin zones (BZs. Intensities in the multiple BZs are proportional to the photoemission matrix element which contains information on the coefficient of the Bloch wave function. It is shown that the Bloch wave function coefficients can be extracted from ARPES data, which allows us to construct the real space wave function. As a test, we use ARPES data from proto-typical one-dimensional system SrCuO2 and construct the real space wave function.

  7. Atmospheric pressure X-ray photoelectron spectroscopy apparatus: Bridging the pressure gap.

    Science.gov (United States)

    Velasco-Vélez, J J; Pfeifer, V; Hävecker, M; Wang, R; Centeno, A; Zurutuza, A; Algara-Siller, G; Stotz, E; Skorupska, K; Teschner, D; Kube, P; Braeuninger-Weimer, P; Hofmann, S; Schlögl, R; Knop-Gericke, A

    2016-05-01

    One of the main goals in catalysis is the characterization of solid/gas interfaces in a reaction environment. The electronic structure and chemical composition of surfaces become heavily influenced by the surrounding environment. However, the lack of surface sensitive techniques that are able to monitor these modifications under high pressure conditions hinders the understanding of such processes. This limitation is known throughout the community as the "pressure gap." We have developed a novel experimental setup that provides chemical information on a molecular level under atmospheric pressure and in presence of reactive gases and at elevated temperatures. This approach is based on separating the vacuum environment from the high-pressure environment by a silicon nitride grid-that contains an array of micrometer-sized holes-coated with a bilayer of graphene. Using this configuration, we have investigated the local electronic structure of catalysts by means of photoelectron spectroscopy and in presence of gases at 1 atm. The reaction products were monitored online by mass spectrometry and gas chromatography. The successful operation of this setup was demonstrated with three different examples: the oxidation/reduction reaction of iridium (noble metal) and copper (transition metal) nanoparticles and with the hydrogenation of propyne on Pd black catalyst (powder). PMID:27250406

  8. Near surface composition of some alloys by X-ray photoelectron spectroscopy

    Indian Academy of Sciences (India)

    M Sreemany; T B Ghosh

    2001-10-01

    Chemical compositions of the alloys of CuNi (Cu0.10Ni0.90, Cu0.30Ni0.70, Cu0.70Ni0.30) and BiSb (Bi0.80Sb0.20, Bi0.64Sb0.34, Bi0.55Sb0.45) are determined by X-ray photoelectron spectroscopy. The stoichiometries are determined and are compared with the bulk compositions. Possible sources of systematic errors contributing to the results are discussed. Errors arising out of preferential etching in these alloys have been investigated. It has been inferred from such studies that the preferential etching does not enrich the surface composition with a particular component for the two systems reported here. Quantitative results of CuNi system indicate that the surface regions of the Cu0.70Ni0.30 alloy is Cu-rich, although no such evidence is observed in case of BiSb system.

  9. Effect of Space Radiation Processing on Lunar Soil Surface Chemistry: X-Ray Photoelectron Spectroscopy Studies

    Science.gov (United States)

    Dukes, C.; Loeffler, M.J.; Baragiola, R.; Christoffersen, R.; Keller, J.

    2009-01-01

    Current understanding of the chemistry and microstructure of the surfaces of lunar soil grains is dominated by a reference frame derived mainly from electron microscopy observations [e.g. 1,2]. These studies have shown that the outermost 10-100 nm of grain surfaces in mature lunar soil finest fractions have been modified by the combined effects of solar wind exposure, surface deposition of vapors and accretion of impact melt products [1,2]. These processes produce surface-correlated nanophase Feo, host grain amorphization, formation of surface patinas and other complex changes [1,2]. What is less well understood is how these changes are reflected directly at the surface, defined as the outermost 1-5 atomic monolayers, a region not easily chemically characterized by TEM. We are currently employing X-ray Photoelectron Spectroscopy (XPS) to study the surface chemistry of lunar soil samples that have been previously studied by TEM. This work includes modification of the grain surfaces by in situ irradiation with ions at solar wind energies to better understand how irradiated surfaces in lunar grains change their chemistry once exposed to ambient conditions on earth.

  10. Magnetron Plasma Sputtered Nanocomposite Thin Films: Structural Surface Studies by In Vacuo Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    The experimental system that enables thin film deposition by chemical vapor deposition combined with magnetron sputtering and sample surface characterization by photoelectron spectroscopy (PES), without breaking the vacuum between the deposition and the characterization stage, is described. The particular goal of this work was study of the surface arrangement of embedded metallic nanoclusters of 1B group (Au, Ag, and Cu) in amorphous hydrogenated carbon (a-C:H). From the range of applied material characterization tools, we present here the results of several PES-based experiments used to reveal cluster properties at the surface: as-deposited sample PES measurements, off-normal take-off angle XPS, and in situ in-depth XPS profiling by Ar+ ion etching. Clear distinction in all PES results of the samples deposited on the grounded substrates from those deposited on -150 V dc biased ones is obtained, revealing that keeping the substrate grounded during deposition results in topmost metallic clusters covered with a very thin layer of a-C:H, while applying negative bias voltage to the substrate results in partially bald clusters on the surface

  11. Chemistry of carbon polymer composite electrode - An X-ray photoelectron spectroscopy study

    Science.gov (United States)

    Andersen, Shuang Ma; Dhiman, Rajnish; Skou, Eivind

    2015-01-01

    Surface chemistry of the electrodes in a proton exchange membrane fuel cell is of great importance for the cell performance. Many groups have reported that electrode preparation condition has a direct influence on the resulting electrode properties. In this work, the oxidation state of electrode components and the composites (catalyst ionomer mixtures) in various electrode structures were systematically studied with X-ray photoelectron spectroscopy (XPS). Based on the spectra, when catalyst is physically mixed with Nafion ionomer, the resulting electrode surface chemistry is a combination of the two components. When the electrode is prepared with a lamination procedure, the ratio between fluorocarbon and graphitic carbon is decreased. Moreover, ether type oxide content is decreased although carbon oxide is slightly increased. This indicates structure change of the catalyst layer due to an interaction between the ionomer and the catalyst and possible polymer structural change during electrode fabrication. The surface of micro porous layer was found to be much more influenced by the lamination, especially when it is in contact with catalysts in the interphase. Higher amount of platinum oxide was observed in the electrode structures (catalyst ionomer mixture) compared to the catalyst powder. This also indicates a certain interaction between the functional groups in the polymer and platinum surface.

  12. A fast and flexible multichannel electron detector with parallel readout for photoelectron spectroscopy

    Science.gov (United States)

    Manning, P. P.; Clague, N. J.; Kirkman, I. W.; Quinn, F. M.; Hicks, P. J.

    1997-02-01

    To satisfy end user requirements for higher throughput and reliability in photoelectron spectroscopy, a new multichannel electron detector with discrete electronics has been designed and commissioned at Daresbury Laboratory. Count rate performance has been enhanced by the use of low resistance microchannel plates which amplify the electron pulses incident on the anode array. The low resistance microchannel plates are linear to 2.5 × 10 4 s -1 mm -2 for a bias voltage of 900 V per plate, providing more than an order of magnitude improvement in count rate performance over high resistance microchannel plates, microchannel plate outgassing in the ultra-high vacuum environment limits the scale of this improvement. A novel anode design maximizes the collection efficiency, while minimising crosstalk between channels (rail and electrodes on the anode. Each data collection channel comprises a fast current amplifier and discriminator, capable of a throughput of 2.5 × 10 7 s -1, and a 24 bit scaler. The integral non-linearity for flat-field illumination is better than 10% with no correction. The fast multichannel detection system gives a throughput enhancement of 10-20 on single-channel detection systems. It has also proved to be significantly better than previous multichannel detection systems with discrete electronics due to its high throughput, modular design and flexible structure.

  13. CHARACTERIZING SURFACE LAYERS IN NITINOL USING X-RAY PHOTOELECTRON SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Christopfel, R.; Mehta, A.

    2008-01-01

    Nitinol is a shape memory alloy whose properties allow for large reversible deformations and a return to its original geometry. This nickel-titanium (NiTi) alloy has become a material used widely in the biomedical fi eld as a stent to open up collapsed arteries. Both ambient and biological conditions cause surface oxidation in these devices which in turn change its biocompatibility. The thickness of oxidized layers can cause fractures in the material if too large and can allow for penetration if too thin. Depending on the type and abundance of the chemical species on or near the surface, highly toxic metal ions can leak into the body causing cell damage or even cell death. Thus, biocompatibility of such devices is crucial. By using highly surface sensitive x-ray photoelectron spectroscopy to probe the surface of these structures, it is possible to decipher both layer composition and layer thickness. Two samples, both of which were mechanically polished, were investigated. Of the two samples, one was then exposed to a phosphate buffered saline (PBS) solution to mimic the chemical properties of blood, while the other remained unexposed. Although both samples were found to have oxide layers of appropriate thickness (on the order of a few nm), it was found that the sample exposed to the saline solution had a slightly thicker oxide layer and more signifi cantly, a phosphate layer very near the surface suggesting toxic metal components are well contained within the sample. These are considerable indications of a biocompatible device.

  14. Lanthanum, cerium, praseodymium, and neodymium metals and their interaction with oxygen studied by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Clean films of La, Ce, Pr, and Nd, prepared by in situ evaporation have been investigated by photoelectron spectroscopy. Different light sources He I (hv = 21.2 eV), He II (hv = 40.8 eV) and Mg Kα (hv = 1253.6 eV) have been used for the electron excitation in order to characterize the metals. Measurements have been performed after exposing the clean metals to various amounts of oxygen. From the vanishing of the emission from the sd conduction band upon exposure the conclusion is drawn that an oxide layer thicker than the probing depth (20 A) is formed on all four metals and that the oxide (at room temperature) has the form: Me2O3, Me=La, Ce, Pr, Nd. The tetravalent cerium oxide is obtained when the film is heated to about 6000C during oxygen exposure. The interaction with oxygen is also characterized by recording the oxygen 1s level and some metal core levels (Me 3d, 4d and 4p). The results from the pure metals and from the metal oxides give further experimental evidence for a 4f level binding energy of 1.9 eV in γ-cerium. (Auth.)

  15. X-ray photoelectron spectroscopy studies of MgB 2 for valence state of Mg

    Science.gov (United States)

    A. Talapatra; Bandyopadhyay, S. K.; Sen, Pintu; Barat, P.; Mukherjee, S.; Mukherjee, M.

    2005-03-01

    Core level X-ray photoelectron spectroscopy (XPS) studies have been carried out on polycrystalline MgB 2 pellets over the whole binding energy range with a view to having an idea of the charge state of magnesium (Mg). We observe three distinct peaks in Mg 2p spectra at 49.3 eV (trace), 51.3 eV (major) and 54.0 eV (trace), corresponding to metallic Mg, MgB 2 and MgCO 3 or, divalent Mg species, respectively. Similar trend has been noticed in Mg 2s spectra. The binding energy of Mg in MgB 2 is lower than that corresponding to Mg(2+), indicative of the fact that the charge state of Mg in MgB 2 is less than (2+). Lowering of the formal charge of Mg promotes the σ → π electron transfer in boron (B) giving rise to holes on the top of the σ-band which are involved in coupling with B E 2g phonons for superconductivity. Through this charge transfer, Mg plays a positive role in hole superconductivity. B 1s spectra consist of three peaks corresponding to MgB 2, boron and B 2O 3. There is also evidence of MgO due to surface oxidation as seen from O 1s spectra.

  16. Covalently Bound Tetracoordinated Organoborons are Superhalogens: A Combined Negative Ion Photoelectron Spectroscopy and Theoretical Study

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jian; Yang, Ping; Sun, Zhenrong; Wang, Xue B.

    2014-09-18

    Molecular species with electron affinities (EAs) larger than that of the chlorine atom (3.6131 eV) are superhalogens. The corresponding negative ions, namely, superhalogen anions, are intrinsically very stable with high electron binding energies (EBEs), and widely exist as building blocks of bulk materials and ionic liquids. The most common superhalogen anions proposed and confirmed to date are either ionic salts or compact inorganic species. Herein we report a new class of superhalogen species, a series of tetracoordinated organoboron anions [BL4]– (L = phenyl (1), 4-fluorophenyl (2), 1-imidazolyl (3), L4 = H(pyrazolyl)3 (4)) with bulky organic ligands covalently bound to the central B atom. Negative ion photoelectron spectroscopy (NIPES) reveals all of these anions possessing EBEs higher than that of Cl- with the adiabatic / vertical detachment energy (ADE / VDE) of 4.44/4.8 (1), 4.78/5.2 (2), 5.08/5.4 (3), and 4.59/4.9 eV (4), respectively. First-principles calculations confirmed high EBEs of [BL4]– and predicted that these anions are thermodynamically stable against fragmentation. The unraveled superhalogen nature of these species provides a molecular basis to explain the wide-range applications of tetraphenylborate (TPB) (1) and trispyrazolylborate (Tp) (4) in many areas spanning from industrial waste treatment to soft material synthesis and organometallic chemistry

  17. X-ray photoelectron spectroscopy of select multi-layered transition metal carbides (MXenes)

    Science.gov (United States)

    Halim, Joseph; Cook, Kevin M.; Naguib, Michael; Eklund, Per; Gogotsi, Yury; Rosen, Johanna; Barsoum, Michel W.

    2016-01-01

    In this work, a detailed high resolution X-ray photoelectron spectroscopy (XPS) analysis is presented for select MXenes-a recently discovered family of two-dimensional (2D) carbides and carbonitrides. Given their 2D nature, understanding their surface chemistry is paramount. Herein we identify and quantify the surface groups present before, and after, sputter-cleaning as well as freshly prepared vs. aged multi-layered cold pressed discs. The nominal compositions of the MXenes studied here are Ti3C2Tx, Ti2CTx, Ti3CNTx, Nb2CTx and Nb4C3Tx, where T represents surface groups that this work attempts to quantify. In all the cases, the presence of three surface terminations, sbnd O, sbnd OH and sbnd F, in addition to OH-terminations relatively strongly bonded to H2O molecules, was confirmed. From XPS peak fits, it was possible to establish the average sum of the negative charges of the terminations for the aforementioned MXenes. Based on this work, it is now possible to quantify the nature of the surface terminations. This information can, in turn, be used to better design and tailor these novel 2D materials for various applications.

  18. Light-induced atom desorption from glass surfaces characterized by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Kumagai, Ryo; Hatakeyama, Atsushi

    2016-07-01

    We analyzed the surfaces of vitreous silica (quartz) and borosilicate glass (Pyrex) substrates exposed to rubidium (Rb) vapor by X-ray photoelectron spectroscopy (XPS) to understand the surface conditions of alkali metal vapor cells. XPS spectra indicated that Rb atoms adopted different bonding states in quartz and Pyrex. Furthermore, Rb atoms in quartz remained in the near-surface region, while they diffused into the bulk in Pyrex. For these characterized surfaces, we measured light-induced atom desorption (LIAD) of Rb atoms. Clear differences in time evolution, photon energy dependence, and substrate temperature dependence were found; the decay of LIAD by continuous ultraviolet irradiation for quartz was faster than that for Pyrex, a monotonic increase in LIAD with increasing photon energy from 1.8 to 4.3 eV was more prominent for quartz, and LIAD from quartz was more efficient at higher temperatures in the range from 300 to 580 K, while that from Pyrex was almost independent of temperature.

  19. Electronic structure dynamics in a low bandgap polymer studied by time-resolved photoelectron spectroscopy.

    Science.gov (United States)

    Cappel, Ute B; Plogmaker, Stefan; Terschlüsen, Joachim A; Leitner, Torsten; Johansson, Erik M J; Edvinsson, Tomas; Sandell, Anders; Karis, Olof; Siegbahn, Hans; Svensson, Svante; Mårtensson, Nils; Rensmo, Håkan; Söderström, Johan

    2016-08-01

    Means to measure the temporal evolution following a photo-excitation in conjugated polymers are a key for the understanding and optimization of their function in applications such as organic solar cells. In this paper we study the electronic structure dynamics by direct pump-probe measurements of the excited electrons in such materials. Specifically, we carried out a time-resolved photoelectron spectroscopy (TRPES) study of the polymer PCPDTBT by combining an extreme ultraviolet (XUV) high harmonic generation source with a time-of-flight spectrometer. After excitation to either the 1st excited state or to a higher excited state, we follow how the electronic structure develops and relaxes on the electron binding energy scale. Specifically, we follow a less than 50 fs relaxation of the higher exited state and a 10 times slower relaxation of the 1st excited state. We corroborate the results using DFT calculations. Our study demonstrates the power of TRPES for studying photo-excited electron energetics and dynamics of solar cell materials. PMID:27440450

  20. X-ray photoelectron spectroscopy studies of MgB2 for valence state of Mg

    International Nuclear Information System (INIS)

    Core level X-ray photoelectron spectroscopy (XPS) studies have been carried out on polycrystalline MgB2 pellets over the whole binding energy range with a view to having an idea of the charge state of magnesium (Mg). We observe three distinct peaks in Mg 2p spectra at 49.3 eV (trace), 51.3 eV (major) and 54.0 eV (trace), corresponding to metallic Mg, MgB2 and MgCO3 or, divalent Mg species, respectively. Similar trend has been noticed in Mg 2s spectra. The binding energy of Mg in MgB2 is lower than that corresponding to Mg(2+), indicative of the fact that the charge state of Mg in MgB2 is less than (2+). Lowering of the formal charge of Mg promotes the σ → π electron transfer in boron (B) giving rise to holes on the top of the σ-band which are involved in coupling with B E2g phonons for superconductivity. Through this charge transfer, Mg plays a positive role in hole superconductivity. B 1s spectra consist of three peaks corresponding to MgB2, boron and B2O3. There is also evidence of MgO due to surface oxidation as seen from O 1s spectra

  1. Investigation of buried metal-organic interface with photoelectron spectroscopy (PES)

    Energy Technology Data Exchange (ETDEWEB)

    Vrdoljak, Pavo; Schoell, Achim; Reinert, Friedrich [Universitaet Wuerzburg, Experimentelle Physik II, 97074 Wuerzburg (Germany); Umbach, Eberhard [Forschungszentrum Karlsruhe, 76021 Karlsruhe (Germany)

    2008-07-01

    Metal-organic interfaces are of crucial importance for electronic devices since they influence the layer morphology, the electronic structure at contacts, and the charge carrier transport. Various investigations have addressed this issue from the viewpoint of surface science, applying model systems with thin organic films on flat (single crystalline or amorphous) metal substrates. The contacts in electronic devices, however, can be very different. This is mainly due to the morphological roughness of the interface in case of a metal top contact deposited on an organic layer and the possible influence on the electronic structure. In case of real contacts also interdiffusion has to be taken into account. However, surface sensitive techniques such as photoelectron spectroscopy (PES) and atomic force microscopy (AFM) can not immediately access the buried interface. To tackle this problem we have applied and optimised a lift-off technique which allows the removal of the metal top-contact in the UHV and analyse the interface between the contact and the organic film. We present first PES and AFM results of Au contacts deposited on PTCDA layers.

  2. High resolution photoelectron spectroscopy at the SnPc/Ag(111) interface

    Energy Technology Data Exchange (ETDEWEB)

    Scheuermann, C.; Haeming, M.; Kroeger, I.; Stadler, C.; Kumpf, C.; Schoell, A.; Reinert, F.; Umbach, E. [Universitaet Wuerzburg, Experimentelle Physik II, 97074 Wuerzburg (Germany)

    2008-07-01

    Phthalocyanines are interesting for applications in organic devices due to the potential of tailoring their properties by introducing different metal ligands into the heterocycle. Some derivates offer the potential of tuning the work function of metal contacts due to an intrinsic dipole moment. We present a high resolution photoelectron spectroscopy study on SnPc submonolayers on Ag(111). Based on a structural analysis, which shows the existence of different adsorption phases with different orientation of the molecular dipoles depending on temperature and coverage, the PES data indicate a significant effect on the surface work function. The valence and core spectra allow identifying a covalent interaction at the interface with the appearance of a new state at EF. Moreover, the data provide evidence for a systematic weakening of the interfacial interaction with increasing coverage. This is accompanied by a constriction of the substrate-adsorbate charge transfer, which becomes evident from an analysis of the core level line shapes. As a consequence, a comprehensive description of the electronic structure in the contact regime, of the resulting interface dipole, and of work function effects needs to account not only for structural properties such as the intrinsic molecular geometry, but also for intermolecular- and interfacial interactions which may involve significant charge transfer.

  3. Photoelectron spectroscopy study on Li substituted NiO using PES beamline installed on Indus-1

    CERN Document Server

    Banerjee, A; Phase, D M; Dasannacharya, B A

    2003-01-01

    Photoelectron spectroscopy beamline based on a toroidal grating monochromator (TGM) is recently commissioned on Indus-1 storage ring. It has been used to carry out valence band photoemission study of Li substituted NiO. In this paper initially a brief description of the beamline components and the experimental station for angle integrated photoemission experiment is presented. The later part of this paper is devoted to studies carried out on Li sub x Ni sub 1 sub - sub x O with x=0.0, 0.35 and 0.5 samples. Thin pellets of polycrystalline samples were used for the measurements reported here. Valence band spectra recorded on polycrystalline Li sub x Ni sub 1 sub - sub x O samples show drastic changes in various features as compared to that of pure NiO. The prominent changes are: (i) change in the relative contributions of Ni-3d and O-2p emissions, (ii) change in the peak position of Ni-3d from the top of the valance band of NiO and (iii) no noticeable change in the Ni satellite peak. These results are evaluated...

  4. Study of the oxidation of gold-tin preforms using x-ray photoelectron spectroscopy

    Science.gov (United States)

    Taylor, J. Ashley; Merchant, Sailesh M.; Perry, D. L.

    1995-11-01

    This study uses x-ray photoelectron spectroscopy (XPS) to investigate the nature of the oxide formed on clean Au-Sn binary alloys (ζ and δ phases) and on preforms with the eutectic composition (29 at % Sn) at low O2 pressures (oxide layer. The oxidation of the Au-Sn alloys is basically similar to the oxidation of metallic Sn. The Auger parameter indicates that with low-pressure oxidation a layered oxide structure is formed consisting of SnO and a slightly tin-rich oxide at the interface. Probably a thin skin of Sn(IV) oxide exists on the outer surface of the low-pressure oxide. High-temperature and low-pressure promotes the growth of SnO. As the pressure is increased the Sn(IV) oxide grows more noticeably and with high-pressure oxidation the Sn(IV) oxide grows thicker than the Sn(II) oxide at the interface. The Sn(II) oxide at the interface appears similar to the Sn(II) oxide structure formed at low pressure. The Auger parameter indicates that the Sn(IV) oxide possesses a structure different than that of Cassiterite.

  5. The surface of 1-euro coins studied by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gou, F.; Gleeson, M.A.; Villette, J.; Kleyn, S.E.F.; Kleyn, A.W

    2004-03-30

    The two alloy surfaces (pill and ring) that are present on 1-euro coins have been studied by X-ray photoelectron spectroscopy (XPS). Comparison is made between coins from general circulation and coin surfaces that have been subjected to a variety of cleaning and oxidation treatments. The concentrations and possible oxidation states of the metals (nickel, copper and zinc) at the surface were derived from analysis of the 2p{sub 3/2} core levels. The surface atomic ratios measured for the pill and the ring parts of the euro coins were compared to the official bulk ratios. This study shows a clear nickel enrichment of both pill and ring surfaces. Nickel at surface seems to be present mainly in hydroxide form although the chloride form cannot be excluded. A small concentration of zinc was present on the surface of the pill, even though it is not present in the bulk alloy. Evidence of both nickel and zinc surface enrichment is observed for the ring. No surface enrichment is observed for the atomically clean or oxidized alloy surfaces over a 60-h time scale.

  6. High temperature and high resolution uv photoelectron spectroscopy using supersonic molecular beams

    International Nuclear Information System (INIS)

    A high temperature molecular beam source with electron bombardment heating has been built for high resolution photoelectron spectroscopic studies of high temperature species and clusters. This source has the advantages of: producing an intense, continuous, seeded molecular beam, eliminating the interference of the heating mechanism from the photoelectron measurement. Coupling the source with our hemispherical electron energy analyzer, we can obtain very high resolution HeIα (584 angstrom) photoelectron spectra of high temperature species. Vibrationally-resolved photoelectron spectra of PbSe, As2, As4, and ZnCl2 are shown to demonstrate the performance of the new source. 25 refs., 8 figs., 1 tab

  7. Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory

    CERN Document Server

    De Giovannini, U; Marques, M A L; Appel, H; Gross, E K U; Rubio, A

    2012-01-01

    We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoe- mission including multi-photon effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near infrared intense laser pulse and helium-(I) angular spectra for aligned carbon monoxide and benzene.

  8. Multiphoton Double Ionization of Ar in Intense Extreme Ultraviolet Laser Fields Studied by Shot-by-Shot Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Photoelectron spectroscopy has been performed to study the multiphoton double ionization of Ar in an intense extreme ultraviolet laser field (hν∼21 eV, ∼5 TW/cm2), by using a free electron laser (FEL). Three distinct peaks identified in the observed photoelectron spectra clearly show that the double ionization proceeds sequentially via the formation of Ar+: Ar+hν→Ar++e- and Ar++2hν→Ar2++e-. Shot-by-shot recording of the photoelectron spectra allows simultaneous monitoring of FEL spectrum and the multiphoton process for each FEL pulse, revealing that the two-photon ionization from Ar+ is significantly enhanced by intermediate resonances in Ar+.

  9. Photoelectron imaging spectroscopy of MoC{sup −} and NbN{sup −} diatomic anions: A comparative study

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qing-Yu; Li, Zi-Yu; He, Sheng-Gui, E-mail: shengguihe@iccas.ac.cn, E-mail: chenh@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Hu, Lianrui; Chen, Hui, E-mail: shengguihe@iccas.ac.cn, E-mail: chenh@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences, Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Ning, Chuan-Gang [Department of Physics, State Key Laboratory of Low-Dimensional Quantum Physics, Tsinghua University, Beijing 100084 (China); Ma, Jia-Bi [Key Laboratory of Cluster Science, The Institute for Chemical Physics, School of Chemistry, Beijing Institute of Technology, Beijing 100081 (China)

    2015-04-28

    The isoeletronic diatomic MoC{sup −} and NbN{sup −} anions have been prepared by laser ablation and studied by photoelectron imaging spectroscopy combined with quantum chemistry calculations. The photoelectron spectra of NbN{sup −} can be very well assigned on the basis of literature reported optical spectroscopy of NbN. In contrast, the photoelectron spectra of MoC{sup −} are rather complex and the assignments suffered from the presence of many electronically hot bands and limited information from the reported optical spectroscopy of MoC. The electron affinities of NbN and MoC have been determined to be 1.450 ± 0.003 eV and 1.360  ±  0.003 eV, respectively. The good resolution of the imaging spectroscopy provided a chance to resolve the Ω splittings of the X{sup 3}Σ{sup −} (Ω = 0 and 1) state of MoC and the X{sup 4}Σ{sup −} (Ω = 1/2 and 3/2) state of MoC{sup −} for the first time. The spin-orbit splittings of the X{sup 2}Δ state of NbN{sup −} and the a{sup 2}Δ state of MoC{sup −} were also determined. The similarities and differences between the electronic structures of the NbN and MoC systems were discussed.

  10. Photoelectron Spectroscopy and Theoretical Studies of Anion-pi Interactions: Binding Strength and Anion Specificity

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jian; Zhou, Bin; Sun, Zhenrong; Wang, Xue B.

    2015-01-01

    illustrates that size-selective photoelectron spectroscopy combined with theoretical calculations represent a powerful technique to probe intrinsic anion–π interactions and has potential to provide quantitative guest-host molecular binding strengths and unravel fundamental insights in specific anion recognitions.

  11. Photoelectron spectroscopy and theoretical studies of anion-π interactions: binding strength and anion specificity.

    Science.gov (United States)

    Zhang, Jian; Zhou, Bin; Sun, Zhen-Rong; Wang, Xue-Bin

    2015-02-01

    Proposed in theory and then their existence confirmed, anion-π interactions have been recognized as new and important non-covalent binding forces. Despite extensive theoretical studies, numerous crystal structural identifications, and a plethora of solution phase investigations, anion-π interaction strengths that are free from complications of condensed-phase environments have not been directly measured in the gas phase. Herein we present a joint photoelectron spectroscopic and theoretical study on this subject, in which tetraoxacalix[2]arene[2]triazine 1, an electron-deficient and cavity self-tunable macrocyclic, was used as a charge-neutral molecular host to probe its interactions with a series of anions with distinctly different shapes and charge states (spherical halides Cl(-), Br(-), I(-), linear thiocyanate SCN(-), trigonal planar nitrate NO3(-), pyramidic iodate IO3(-), and tetrahedral sulfate SO4(2-)). The binding energies of the resultant gaseous 1 : 1 complexes (1·Cl(-), 1·Br(-), 1·I(-), 1·SCN(-), 1·NO3(-), 1·IO3(-) and 1·SO4(2-)) were directly measured experimentally, exhibiting substantial non-covalent interactions with pronounced anion-specific effects. The binding strengths of Cl(-), NO3(-), IO3(-) with 1 are found to be strongest among all singly charged anions, amounting to ca. 30 kcal mol(-1), but only about 40% of that between 1 and SO4(2-). Quantum chemical calculations reveal that all the anions reside in the center of the cavity of 1 with an anion-π binding motif in the complexes' optimized structures, where 1 is seen to be able to self-regulate its cavity structure to accommodate anions of different geometries and three-dimensional shapes. Electron density surface and charge distribution analyses further support anion-π binding formation. The calculated binding energies of the anions and 1 nicely reproduce the experimentally estimated electron binding energy increase. This work illustrates that size-selective photoelectron

  12. Photoelectron Spectroscopy Study of [Ta2B6]-: a Hexagonal Bipyramdial Cluster

    Science.gov (United States)

    Jian, Tian; Li, Weili; Romanescu, Constantin; Wang, Lai-Sheng

    2014-06-01

    It has been a long-sought goal in cluster science to discover stable atomic clusters as building blocks for cluster-assembled nanomaterials, as exemplified by the fullerenes and their subsequent bulk syntheses.[1,2] Clusters have also been considered as models to understand bulk properties, providing a bridge between molecular and solid-state chemistry.[3] Herein we report a joint photoelectron spectroscopy and theoretical study on the [Ta2B6]- and [Ta2B6] clusters.[4] The photoelectron spectrum of [Ta2B6]- displays a simple spectral pattern and a large HOMO-LUMO gap, suggesting its high symmetry. Theoretical calculations show that both the neutral and anion are D6h pyramidal. The chemical bonding analyses for [Ta2B6] revealed the nature of the B6 and Ta interactions and uncovered strong covalent bonding between B6 and Ta. The D6h-[TaB6Ta] gaseous cluster is reminiscent of the structural pattern in the ReB6X6Re core in the [(Cp*Re)2B6H4Cl2] and the TiB6Ti motif in the newly synthesized Ti7Rh4Ir2B8 solid-state compound.[5,6] The current work provides an intrinsic link between a gaseous cluster and motifs for solid materials. Continued investigations of the transition-metal boron clusters may lead to the discovery of new structural motifs involving pure boron clusters for the design of novel boride materials. Reference [1] H.W. Kroto, J. R. Heath, S. C. OBrien, R. F. Curl, R. E. Smalley, Nature 1985, 318, 162 - 163. [2] W. Krtschmer, L. D. Lamb, K. Fostiropoulos, D. R. Huffman, Nature 1990, 347, 354 - 358. [3] T. P. Fehlner, J.-F. Halet, J.-Y. Saillard, Molecular Clusters: A Bridge to Solid-State Chemitry, Cambridge University Press, UK, 2007. [4] W. L. Li, L. Xie, T. Jian, C. Romanescu, X. Huang, L.-S. Wang, Angew. Chem. Int. Ed. 2014, 126, 1312 - 1316. [5] B. Le Guennic, H. Jiao, S. Kahlal, J.-Y. Saillard, J.-F. Halet, S. Ghosh, M. Shang, A. M. Beatty, A. L. Rheingold, T. P. Fehlner, J. Am. Chem. Soc. 2004, 126, 3203 - 3217. [6] B. P. T. Fokwa, M. Hermus, Angew

  13. Synchrotron-based double imaging photoelectron/photoion coincidence spectroscopy of radicals produced in a flow tube: OH and OD

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Gustavo A.; Tang, Xiaofeng; Gil, Jean-François; Nahon, Laurent [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Ward, Michael; Batut, Sebastien; Fittschen, Christa [PC2A, Université de Lille 1, UMR CNRS-USTL 8522, Cité Scientifique Bât. C11, F-59655 Villeneuve d’Ascq (France); Taatjes, Craig A.; Osborn, David L. [Combustion Research Facility, Mail Stop 9055, Sandia National Laboratories, Livermore, California 94551-0969 (United States); Loison, Jean-Christophe [ISM, Université Bordeaux 1, CNRS, 351 cours de la Libération, 33405 Talence Cedex (France)

    2015-04-28

    We present a microwave discharge flow tube coupled with a double imaging electron/ion coincidence device and vacuum ultraviolet (VUV) synchrotron radiation. The system has been applied to the study of the photoelectron spectroscopy of the well-known radicals OH and OD. The coincidence imaging scheme provides a high selectivity and yields the spectra of the pure radicals, removing the ever-present contributions from excess reactants, background, or secondary products, and therefore obviating the need for a prior knowledge of all possible byproducts. The photoelectron spectra encompassing the X{sup 3}Σ{sup −} ground state of the OH{sup +} and OD{sup +} cations have been extracted and the vibrational constants compared satisfactorily to existing literature values. Future advantages of this approach include measurement of high resolution VUV spectroscopy of radicals, their absolute photoionization cross section, and species/isomer identification in chemical reactions as a function of time.

  14. Direct observation of the energetics at a semiconductor/liquid junction by operando X-ray photoelectron spectroscopy

    OpenAIRE

    Lichterman, Michael F.; Hu, Shu; Richter, Matthias H.; Crumlin, Ethan J.; Axnanda, Stephanus; Favaro, Marco; Drisdell, Walter; Hussain, Zahid; Mayer, Thomas; Brunschwig, Bruce S.; Lewis, Nathan S.; Liu, Zhi; Lewerenz, Hans-Joachim

    2015-01-01

    Photoelectrochemical (PEC) cells based on semiconductor/liquid interfaces provide a method of converting solar energy to electricity or fuels. Currently, the understanding of semiconductor/liquid interfaces is inferred from experiments and models. Operando ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) has been used herein to directly characterize the semiconductor/liquid junction at room temperature under real-time electrochemical control. X-ray synchrotron radiation in conjuncti...

  15. Hard X-ray photoelectron spectroscopy of bulk and thin films of Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kozina, Xeniya

    2012-03-26

    X-ray photoemission spectroscopy (XPS) is one of the most universal and powerful tools for investigation of chemical states and electronic structures of materials. The application of hard X-rays increases the inelastic mean free path of the emitted electrons within the solid and thus makes hard X-ray photoelectron spectroscopy (HAXPES) a bulk sensitive probe for solid state research and especially a very effective nondestructive technique to study buried layers. This thesis focuses on the investigation of multilayer structures, used in magnetic tunnel junctions (MTJs), by a number of techniques applying HAXPES. MTJs are the most important components of novel nanoscale devices employed in spintronics. The investigation and deep understanding of the mechanisms responsible for the high performance of such devices and properties of employed magnetic materials that are, in turn, defined by their electronic structure becomes feasible applying HAXPES. Thus the process of B diffusion in CoFeB-based MTJs was investigated with respect to the annealing temperature and its influence on the changes in the electronic structure of CoFeB electrodes that clarify the behaviour and huge TMR ratio values obtained in such devices. These results are presented in chapter 6. The results of investigation of the changes in the valence states of buried off-stoichiometric Co{sub 2}MnSi electrodes were investigated with respect to the Mn content {alpha} and its influence on the observed TMR ratio are described in chapter 7. Magnetoelectronic properties such as exchange splitting in ferromagnetic materials as well as the macroscopic magnetic ordering can be studied by magnetic circular dichroism in photoemission (MCDAD). It is characterized by the appearance of an asymmetry in the photoemission spectra taken either from the magnetized sample with the reversal of the photon helicity or by reversal of magnetization direction of the sample when the photon helicity direction is fixed. Though

  16. Improved performances of nanosilicon electrodes using the salt LiFSI: a photoelectron spectroscopy study.

    Science.gov (United States)

    Philippe, Bertrand; Dedryvère, Rémi; Gorgoi, Mihaela; Rensmo, Håkan; Gonbeau, Danielle; Edström, Kristina

    2013-07-01

    Silicon is a very good candidate for the next generation of negative electrodes for Li-ion batteries, due to its high rechargeable capacity. An important issue for the implementation of silicon is the control of the chemical reactivity at the electrode/electrolyte interface upon cycling, especially when using nanometric silicon particles. In this work we observed improved performances of Li//Si cells by using the new salt lithium bis(fluorosulfonyl)imide (LiFSI) with respect to LiPF6. The interfacial chemistry upon long-term cycling was investigated by photoelectron spectroscopy (XPS or PES). A nondestructive depth resolved analysis was carried out by using both soft X-rays (100-800 eV) and hard X-rays (2000-7000 eV) from two different synchrotron facilities and in-house XPS (1486.6 eV). We show that LiFSI allows avoiding the fluorination process of the silicon particles surface upon long-term cycling, which is observed with the common salt LiPF6. As a result the composition in surface silicon phases is modified, and the favorable interactions between the binder and the active material surface are preserved. Moreover a reduction mechanism of the salt LiFSI at the surface of the electrode could be evidenced, and the reactivity of the salt toward reduction was investigated using ab initio calculations. The reduction products deposited at the surface of the electrode act as a passivation layer which prevents further reduction of the salt and preserves the electrochemical performances of the battery. PMID:23763546

  17. Investigation of the surface composition of electrodeposited black chromium by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Survilienė, S., E-mail: sveta@ktl.mii.lt; Češūnienė, A.; Jasulaitienė, V.; Jurevičiūtė, I.

    2015-01-01

    Highlights: • Black chromium electrodeposited from a Cr(III) bath is composed of oxide, hydroxide and metallic chromium. • Metallic phase is absent in black chromium electrodeposited from a Cr(III) + ZnO bath. • The near-surface layer is rich in hydroxides, whereas oxides of both metals predominate in the depth of the coatings. - Abstract: The paper reviews black chromium electrodeposited from a trivalent chromium bath containing ZnO as a second main component. The chemical compositions of the top layers of the black chromium coatings were studied by the X-ray photoelectron spectroscopy method. The surface of black chromium was found to be almost entirely covered with organic substances. To gain information on the state of each element in the deposit bulk, the layer-by-layer etching of the black chromium surface with argon gas was used. Analysis of XPS spectra has shown that the top layers of black chromium without zinc are composed of various Cr(III) components, organic substances and metallic Cr, whereas metallic Cr is almost absent in black chromium containing some amount of Zn(II) compounds. The ratios of metal/oxide phases were found to be 10/27 and 2/28 for black chromium without and with zinc, respectively. It has been determined that owing to the presence of ZnO in the Cr(III) bath, the percentage of metallic chromium is substantially reduced in black chromium which is quite important for good solar selective characteristics of the coating. The results confirm some of earlier observations and provide new information on the composition of the near-surface layers.

  18. Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Niu, Shuqiang; Huang, Dao-Ling; Dau, Phuong D.; Liu, Hong-Tao; Wang, Lai S.; Ichiye, Toshiko

    2014-03-11

    Broken-symmetry density functional theory (BS-DFT) calculations are assessed for redox energetics [Cu(SCH3)2]1–/0, [Cu(NCS)2]1–/0, [FeCl4]1–/0, and [Fe(SCH3)4]1–/0 against vertical detachment energies (VDE) from valence photoelectron spectroscopy (PES), as a prelude to studies of metalloprotein analogs. The M06 and B3LYP hybrid functionals give VDE that agree with the PES VDE for the Fe complexes, but both underestimate it by 400 meV for the Cu complexes; other hybrid functionals give VDEs that are an increasing function of the amount of Hartree–Fock (HF) exchange and so cannot show good agreement for both Cu and Fe complexes. Range-separated (RS) functionals appear to give a better distribution of HF exchange since the negative HOMO energy is approximately equal to the VDEs but also give VDEs dependent on the amount of HF exchange, sometimes leading to ground states with incorrect electron configurations; the LRC-ωPBEh functional reduced to 10% HF exchange at short-range give somewhat better values for both, although still 150 meV too low for the Cu complexes and 50 meV too high for the Fe complexes. Overall, the results indicate that while HF exchange compensates for self-interaction error in DFT calculations of both Cu and Fe complexes, too much may lead to more sensitivity to nondynamical correlation in the spin-polarized Fe complexes.

  19. Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy.

    Science.gov (United States)

    Tentscher, Peter R; Seidel, Robert; Winter, Bernd; Guerard, Jennifer J; Arey, J Samuel

    2015-01-01

    To study the influence of aqueous solvent on the electronic energy levels of dissolved organic molecules, we conducted liquid microjet photoelectron spectroscopy (PES) measurements of the aqueous vertical ionization energies (VIEaq) of aniline (7.49 eV), veratrole alcohol (7.68 eV), and imidazole (8.51 eV). We also reanalyzed previously reported experimental PES data for phenol, phenolate, thymidine, and protonated imidazolium cation. We then simulated PE spectra by means of QM/MM molecular dynamics and EOM-IP-CCSD calculations with effective fragment potentials, used to describe the aqueous vertical ionization energies for six molecules, including aniline, phenol, veratrole alcohol, imidazole, methoxybenzene, and dimethylsulfide. Experimental and computational data enable us to decompose the VIEaq into elementary processes. For neutral compounds, the shift in VIE upon solvation, ΔVIEaq, was found to range from ≈-0.5 to -0.91 eV. The ΔVIEaq was further explained in terms of the influence of deforming the gas phase solute into its solution phase conformation, the influence of solute hydrogen-bond donor and acceptor interactions with proximate solvent molecules, and the polarization of about 3000 outerlying solvent molecules. Among the neutral compounds, variability in ΔVIEaq appeared largely controlled by differences in solute-solvent hydrogen-bonding interactions. Detailed computational analysis of the flexible molecule veratrole alcohol reveals that the VIE is strongly dependent on molecular conformation in both gas and aqueous phases. Finally, aqueous reorganization energies of the oxidation half-cell ionization reaction were determined from experimental data or estimated from simulation for the six compounds aniline, phenol, phenolate, veratrole alcohol, dimethylsulfide, and methoxybenzene, revealing a surprising constancy of 2.06 to 2.35 eV. PMID:25516011

  20. Investigation of the surface composition of electrodeposited black chromium by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Highlights: • Black chromium electrodeposited from a Cr(III) bath is composed of oxide, hydroxide and metallic chromium. • Metallic phase is absent in black chromium electrodeposited from a Cr(III) + ZnO bath. • The near-surface layer is rich in hydroxides, whereas oxides of both metals predominate in the depth of the coatings. - Abstract: The paper reviews black chromium electrodeposited from a trivalent chromium bath containing ZnO as a second main component. The chemical compositions of the top layers of the black chromium coatings were studied by the X-ray photoelectron spectroscopy method. The surface of black chromium was found to be almost entirely covered with organic substances. To gain information on the state of each element in the deposit bulk, the layer-by-layer etching of the black chromium surface with argon gas was used. Analysis of XPS spectra has shown that the top layers of black chromium without zinc are composed of various Cr(III) components, organic substances and metallic Cr, whereas metallic Cr is almost absent in black chromium containing some amount of Zn(II) compounds. The ratios of metal/oxide phases were found to be 10/27 and 2/28 for black chromium without and with zinc, respectively. It has been determined that owing to the presence of ZnO in the Cr(III) bath, the percentage of metallic chromium is substantially reduced in black chromium which is quite important for good solar selective characteristics of the coating. The results confirm some of earlier observations and provide new information on the composition of the near-surface layers

  1. Angle-resolved ion TOF spectrometer with a position sensitive detector

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Norio [Electrotechnical Lab., Tsukuba, Ibaraki (Japan); Heiser, F.; Wieliczec, K.; Becker, U.

    1996-07-01

    A angle-resolved ion time-of-flight mass spectrometer with a position sensitive anode has been investigated. Performance of this spectrometer has been demonstrated by measuring an angular distribution of a fragment ion pair, C{sup +} + O{sup +}, from CO at the photon energy of 287.4 eV. The obtained angular distribution is very close to the theoretically expected one. (author)

  2. Practical chemical analysis of Pt and Pd based heterogeneous catalysts with hard X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Highlights: •Hard X-ray photoelectron spectroscopy (HAXPES) enables interface analysis of catalyst. •HAXPES enables overall analysis of porous film of Pt-doped CeO2 and related catalyst. •HAXPES enables analysis of trace elements for Pd and Pt3Ni nanoparticle catalysts. -- Abstract: Interfacial properties including configuration, porosity, chemical states, and atomic diffusion greatly affect the performance of supported heterogeneous catalysts. Hard X-ray photoelectron spectroscopy (HAXPES) can be used to analyze the interfaces of heterogeneous catalysts because of its large information depth of more than 20 nm. We use HAXPES to examine Pt-doped CeO2 and related thin film catalysts evaporated on Si, carbon, and carbon nanotube substrates, because Pt-doped CeO2 has great potential as a noble metal-based heterogeneous catalyst for fuel cells. The HAXPES measurements clarify that the dopant material, substrate material, and surface pretreatment of substrate are important parameters that affect the interfacial properties of Pt-doped CeO2 and related thin film catalysts. Another advantage of HAXPES measurement of heterogeneous catalysts is that it can be used for chemical analysis of trace elements by detecting photoelectrons from deep core levels, which have large photoionization cross-sections in the hard X-ray region. We use HAXPES for chemical analysis of trace elements in Pd nanoparticle catalysts immobilized on sulfur-terminated substrates and Pt3Ni nanoparticle catalysts enveloped by dendrimer molecules

  3. Radiation effects and metalloproteins studied by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wurzbach, J.A.

    1975-07-01

    X-ray photoelectron spectroscopy (XPS) is used to study the bonding structure at the iron site of cytochrome c and the bonding of rare earth ions to the phosphate oxygens of ATP. Radiation effects are studied on several amino acid and simple peptide model systems. The emission spectrum of the x-ray source is calculated from literature references. The distributions of photon energy as a function of photon frequency and as a function of take-off angle are obtained. From these distributions, the radiation dose absorbed by an organic sample is found to be 10/sup 6/ rads/sec. The C 1s and N 1s spectra of amino acids and peptides are studied to characterize an internal reference standard for protein XPS spectra. Samples of native cytochrome c prepared from solutions of pH 1.5, 3, 7, and 11 are studied. Control samples include porphyrin cytochrome c (PCC), the metal free analogue of the native protein, and microperoxidase (MP), a mixture of heme peptides derived from the peptic digestion of cytochrome c. These samples show two S 2p peaks. The first peak has a binding energy (BE) of 163 eV, which corresponds to the S containing amino acids; the second peak is shifted to 167 eV. This large shift may be the result of Fe-S binding, or oxidation, or both. Low spin ferricytochrome c and ferri-MP were found to have Fe 3p BE's that are unusually low (51 eV) compared to other ferric compounds (54 to 58 eV) and even Fe metal (53 eV). X-ray crystal structures of these compounds show that low spin heme Fe lies in the porphyrin plane; while, high spin heme Fe is displaced above the plane. The N 1s and P 2p spectra of ATP show no change except slight broadening when Nd/sup 3 +/ is substituted for Na/sup +/. Thus, there is no inconsistency with proposals that rare earth ions might be useful as substitutes for alkali metal ions and alkaline earth ions in proteins.

  4. Femtosecond photoelectron spectroscopy: a new tool for the study of anion dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Greenblatt, B.J.

    1999-02-01

    A new experimental technique for the time-resolved study of anion reactions is presented. Using femtosecond laser pulses, which provide extremely fast ({approx} 100 fs) time resolution, in conjunction with photoelectron spectroscopy, which reveals differences between anion and neutral potential energy surfaces, a complex anion reaction can be followed from its inception through the formation of asymptotic products. Experimental data can be modeled quantitatively using established theoretical approaches, allowing for the refinement of potential energy surfaces as well as dynamical models. After a brief overview, a detailed account of the construction of the experimental apparatus is presented. Documentation of the data acquisition program is contained in the Appendix. The first experimental demonstration of the technique is then presented for I{sub 2}{sup -} photodissociation, modeled using a simulation program which is also detailed in the Appendix. The investigation of I{sub 2}{sup -} photodissociation in several size-selected I{sub 2}{sup -}(Ar){sub n} (n = 6-20) and I{sub 2}{sup -}(CO{sub 2}){sub n} (n = 4-16) clusters forms the heart of the dissertation. In a series of chapters, the numerous effects of solvation on this fundamental bond-breaking reaction are explored, the most notable of which is the recombination of I{sub 2}{sup -} on the ground {tilde X}({sup 2}{Sigma}{sub u}{sup +}) state in sufficiently large clusters. Recombination and trapping of I{sub 2}{sup -} on the excited {tilde A}({sup 2}{Pi}{sub 3/2,g}) state is also observed in both types of clusters. The studies have revealed electronic state transitions, the first step in recombination, on a {approx}500 fs to {approx}10 ps timescale. Accompanying the changes in electronic state is solvent reorganization, which occurs on a similar timescale. Over longer periods ({approx}1 ps to >200 ps), energy is transferred from vibrationally excite d I{sub 2}{sup -} to modes of the solvent, which in turn leads

  5. Radiation effects and metalloproteins studied by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    X-ray photoelectron spectroscopy (XPS) is used to study the bonding structure at the iron site of cytochrome c and the bonding of rare earth ions to the phosphate oxygens of ATP. Radiation effects are studied on several amino acid and simple peptide model systems. The emission spectrum of the x-ray source is calculated from literature references. The distributions of photon energy as a function of photon frequency and as a function of take-off angle are obtained. From these distributions, the radiation dose absorbed by an organic sample is found to be 106 rads/sec. The C 1s and N 1s spectra of amino acids and peptides are studied to characterize an internal reference standard for protein XPS spectra. Samples of native cytochrome c prepared from solutions of pH 1.5, 3, 7, and 11 are studied. Control samples include porphyrin cytochrome c (PCC), the metal free analogue of the native protein, and microperoxidase (MP), a mixture of heme peptides derived from the peptic digestion of cytochrome c. These samples show two S 2p peaks. The first peak has a binding energy (BE) of 163 eV, which corresponds to the S containing amino acids; the second peak is shifted to 167 eV. This large shift may be the result of Fe-S binding, or oxidation, or both. Low spin ferricytochrome c and ferri-MP were found to have Fe 3p BE's that are unusually low (51 eV) compared to other ferric compounds (54 to 58 eV) and even Fe metal (53 eV). X-ray crystal structures of these compounds show that low spin heme Fe lies in the porphyrin plane; while, high spin heme Fe is displaced above the plane. The N 1s and P 2p spectra of ATP show no change except slight broadening when Nd3+ is substituted for Na+. Thus, there is no inconsistency with proposals that rare earth ions might be useful as substitutes for alkali metal ions and alkaline earth ions in proteins

  6. In Situ Ambient Pressure X-ray Photoelectron Spectroscopy Studies of Lithium-Oxygen Redox Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Yi-Chun; Crumlin, Ethan J.; Veith, Gabriel M.; Harding, Jonathon R.; Mutoro, Eva; Baggetto, Loïc; Dudney, Nancy J.; Liu, Zhi; Shao-Horn, Yang

    2012-10-08

    The lack of fundamental understanding of the oxygen reduction and oxygen evolution in nonaqueous electrolytes significantly hinders the development of rechargeable lithium-air batteries. Here we employ a solid-state Li4+xTi5O12/LiPON/LixV2O5 cell and examine in situ the chemistry of Li-O2 reaction products on LixV2O5 as a function of applied voltage under ultra high vacuum (UHV) and near ambient-pressure of oxygen using X-ray photoelectron spectroscopy (APXPS). Oxygen reduction and evolution reactions take place on the surface of the mixed electronic and Li+ ionic conductor, LixV2O5, which eliminate parasitic reactions between oxygen reduction/evolution reaction intermediates and aprotic electrolytes used in Li-O2 batteries reported to date. Under UHV, reversible lithium intercalation and de-intercalation from LixV2O5 was noted, where the changes in the vanadium valence state revealed from XPS in this study were comparable to that reported previously from Li/LixV2O5 thin film batteries. In presence of oxygen near ambient pressure, the LixV2O5 surface was covered gradually by the reaction product of oxygen reduction, namely lithium peroxide (Li2O2) (approximately 1-2 unit cells) upon discharge. Interestingly, the LixV2O5 surface became re-exposed upon charging, and the oxidation of Li2O2 began at much lower overpotentials (~240 mV) than the charge overpotentials of Li-O2 cells (~1000 mV) with aprotic electrolytes, which can be attributed to subnanometer-thick Li2O2 with surfaces free of contaminants such as carbonate species. Our study provides first evidence of reversible lithium peroxide formation and decomposition in situ on an oxide surface using a solid-state cell, and new insights into the reaction mechanism of Li-O2 chemistry.

  7. X-Ray photoelectron spectroscopy (XPS) studies of copper-sodium tellurite glasses

    International Nuclear Information System (INIS)

    Sodium tellurite glasses containing CuO with the nominal composition [(Na2O)0.3(TeO2)0.7-x (CuO)x], where x=0.00, 0.05, 0.15, and 0.20, have been prepared and investigated by X-ray photoelectron spectroscopy (XPS). The binding energies of Te 3p, Te 3d, O 1s, and Cu 2p core levels in these glasses have been measured and compared to the corresponding binding energies in TeO2 and CuO powders. The Te 3p and Te 3d core levels for the glasses were essentially unchanged from those of TeO2 powder and have little dependence upon the CuO content. Although the O 1s peak showed a small asymmetry on the higher energy side of the peak in the glasses, it was primarily the result of hydroxide contamination on the glass surface rather than the appearance of non-bridging oxygen atoms arising from a structural change in the TeO4. For glasses with x=0.05 and 0.15, the Cu 2p peaks were shifted by more than 1 eV towards lower binding energies in comparison to their values in CuO powder, which suggests the presence of Cu+ ions in these glasses. The appearance of satellite peaks in the Cu 2p spectra, however, provided definitive evidence for the presence of Cu2+ ions in these glass samples as well. The broadened Cu 2p3/2 peaks were correspondingly decomposed into two distinct peaks separated by approximately 1.25 eV, with the lower energy peak being associated with Cu+ and the higher one with Cu2+. The relative Cu2+ content estimated from the spectral analysis was found to vary from 15% for the x=0.05 glass sample to over 70% for the x=0.20 sample

  8. Nanocrystalline tin oxide: Possible origin of its weak ferromagnetism deduced from nuclear magnetic resonance and X-ray photoelectron spectroscopies

    Science.gov (United States)

    Zhang, Feng; Lian, Yadong; Gu, Min; Yu, Ji; Tang, Tong B.; Sun, Jian; Zhang, Weiyi

    2016-09-01

    Nanocrystalline tin oxide was fabricated, with molar ratio O/Sn determined as 1.40, 1.55, 1.79, 1.92 and 1.96 from X-ray photoelectron spectroscopy. They displayed weak ferromagnetism, the sample with O/Sn = 1.55 showing the maximum saturation magnetization reaching almost 8 ×10-3 emu /g at room temperature. 119Sn nuclear magnetic resonance allowed the deduction, based on four resolved resonance peaks, that their Sn ions had four possible coordination numbers, namely 3, 4, 5 and 6. The relative fraction of 4-coordinated cations was the one found to bear positive linear correlation with saturation magnetization of the sample. It is surmised that magnetism in tin oxide results mainly from 4-coordination Sn ions, of valance about +3, as estimated from the binding energies of their 3d photoelectron emission levels.

  9. Effect of laser spectral bandwidth on coherent control of resonance-enhanced multiphoton-ionization photoelectron spectroscopy

    International Nuclear Information System (INIS)

    The high-resolution (2 + 1) resonance-enhanced multiphoton-ionization photoelectron spectroscopy (REMPI-PS) can be obtained by measuring the photoelectron intensity at a given kinetic energy and scanning the single π phase step position. In this paper, we further demonstrate that the high-resolution (2 + 1) REMPI-PS cannot be achieved at any measured position of the kinetic energy by this measurement method, which is affected by the laser spectral bandwidth. We propose a double π phase step modulation to eliminate the effect of the laser spectral bandwidth, and show the advantage of the double π phase step modulation on achieving the high-resolution (2 + 1) REMPI-PS by considering the contributions involving on- and near-resonant three-photon excitation pathways

  10. Direct Imaging of Transient Fano Resonances in N2 Using Time-, Energy-, and Angular-Resolved Photoelectron Spectroscopy

    Science.gov (United States)

    Eckstein, Martin; Yang, Chung-Hsin; Frassetto, Fabio; Poletto, Luca; Sansone, Giuseppe; Vrakking, Marc J. J.; Kornilov, Oleg

    2016-04-01

    Autoionizing Rydberg states of molecular N2 are studied using time-, energy-, and angular-resolved photoelectron spectroscopy. A femtosecond extreme ultraviolet pulse with a photon energy of 17.5 eV excites the resonance and a subsequent IR pulse ionizes the molecule before the autoionization takes place. The angular-resolved photoelectron spectra depend on pump-probe time delay and allow for the distinguishing of two electronic states contributing to the resonance. The lifetime of one of the contributions is determined to be 14 ±1 fs , while the lifetime of the other appears to be significantly shorter than the time resolution of the experiment. These observations suggest that the Rydberg states in this energy region are influenced by the effect of interference stabilization and merge into a complex resonance.

  11. Direct Imaging of Transient Fano Resonances in N_{2} Using Time-, Energy-, and Angular-Resolved Photoelectron Spectroscopy.

    Science.gov (United States)

    Eckstein, Martin; Yang, Chung-Hsin; Frassetto, Fabio; Poletto, Luca; Sansone, Giuseppe; Vrakking, Marc J J; Kornilov, Oleg

    2016-04-22

    Autoionizing Rydberg states of molecular N_{2} are studied using time-, energy-, and angular-resolved photoelectron spectroscopy. A femtosecond extreme ultraviolet pulse with a photon energy of 17.5 eV excites the resonance and a subsequent IR pulse ionizes the molecule before the autoionization takes place. The angular-resolved photoelectron spectra depend on pump-probe time delay and allow for the distinguishing of two electronic states contributing to the resonance. The lifetime of one of the contributions is determined to be 14±1  fs, while the lifetime of the other appears to be significantly shorter than the time resolution of the experiment. These observations suggest that the Rydberg states in this energy region are influenced by the effect of interference stabilization and merge into a complex resonance. PMID:27152799

  12. Spin orbit splitting in the valence bands of ZrS{sub x}Se{sub 2−x}: Angle resolved photoemission and density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Moustafa, Mohamed, E-mail: moustafa@physik.hu-berlin.de [Institut für Physik, Humboldt Universität zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany); Faculty of Engineering, Pharos University in Alexandria, Canal El Mahmoudia Str., Alexandria (Egypt); Ghafari, Aliakbar; Paulheim, Alexander; Janowitz, Christoph; Manzke, Recardo [Institut für Physik, Humboldt Universität zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany)

    2013-08-15

    Highlights: ► We performed high resolution ARPES on 1T–ZrS{sub x}Se{sub 2−x}. ► A characteristic splitting of the chalcogen p-derived VB along high symmetry directions was observed. ► The splitting size at the A point of the BZ is found to increase from 0.06 to 0.31 eV from ZrS{sub 2} towards ZrSe{sub 2}. ► Electronic structure calculations based on the DFT were performed using the model of TB–MBJ. ► The calculations show that the splitting is due to SO coupling of the valence bands. -- Abstract: Angle-resolved photoelectron spectroscopy using synchrotron radiation has been performed on 1T–ZrS{sub x}Se{sub 2−x}, where x varies from 0 to 2, in order to study the influence of the spin-orbit interaction in the valence bands. The crystals were grown by chemical vapour transport technique using Iodine as transport agent. A characteristic splitting of the chalcogen p-derived valence bands along high symmetry directions has been observed experimentally. The size of the splitting increases with the increase of the atomic number of the chalcogenide, e.g. at the A point of the Brillouin zone from 0.06 eV to 0.31 eV with an almost linear dependence with x, as progressing from ZrS{sub 2} towards ZrSe{sub 2}, respectively. Electronic structure calculations based on the density functional theory have been performed using the model of Tran–Blaha [1] and the modified version of the exchange potential proposed by Becke and Johnson [2] (TB–MBJ) both with and without spin-orbit (SO) coupling. The calculations show that the splitting is mainly due to spin-orbit coupling and the degeneracy of the valance bands is lifted.

  13. Metal-polymer interfaces studied with adsorption microcalorimetry and photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bebensee, Fabian

    2010-06-21

    The interface formation between calcium and two different semiconducting, ?-conjugated polymers, namely poly(3-hexylthiophene) (P3HT) and poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-(1-cyanovilylene)phenylene] (CN-MEH-PPV), was investigated using adsorption microcalorimetry, low energy ion scattering spectroscopy (LEIS), atomic beam scattering and X-ray photoelectron spectroscopy. In addition to the interface formation on pristine, i.e., untreated polymer surfaces, the influence of electron irradiation prior to calcium deposition and the effect of dosing calcium at a low substrate temperature was studied. The reactive site for the interaction of calcium atoms impinging on a pristine P3HT surface appears to be the sulfur in the thiophene ring, as is concluded from a combination of XPS, adsorption calorimetry and theory results. The interaction, in fact, is strong enough that the sulfur atoms abstracted from the thiophene ring under formation of calcium sulfide with an overall reaction energy of this process of 405 kJ per mol. Quantitative evaluation of XPS data reveal that the depth up to which Ca atoms react with sulfur in the polymer is 3 nm, irrespective of increasing the amount of Ca dosed onto the substrate. A closed layer of Ca is only formed at a Ca coverage exceeding 11 ML, as suggested by LEIS. Irradiation of P3HT with electrons with a kinetic energy of 100 eV results in dehydrogenation of the hexyl side chains and formation of new C=C double bonds. This in turn results in a higher initial sticking probability of 0.63 for Ca, while no other significant changes could be observed: XPS indicates that the thiophene rings remain intact and the measured heat of adsorption is the same as observed for the deposition of Ca on pristine P3HT. Dosing Ca onto P3HT held at low temperature (130 K) is found to result in a very low saturation thickness of the reacted layer of approximately 0.3 nm. Upon warming the sample up to room temperature, the thickness of the reacted layer

  14. Application of a time-of-flight spectrometer with delay-line detector for time- and angle-resolved two-photon photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Damm, A. [Fachbereich Physik und Zentrum für Materialwissenschaften, Philipps-Universität, D-35032 Marburg (Germany); Güdde, J., E-mail: Jens.Guedde@physik.uni-marburg.de [Fachbereich Physik und Zentrum für Materialwissenschaften, Philipps-Universität, D-35032 Marburg (Germany); Feulner, P. [Physikdepartment E20, Technische Universität München, 85747 Garching (Germany); Czasch, A.; Jagutzki, O.; Schmidt-Böcking, H. [Institut für Kernphysik, Goethe-Universität, D-60438 Frankfurt am Main (Germany); RoentDek Handels GmbH, D-65779 Kelkheim (Germany); Höfer, U. [Fachbereich Physik und Zentrum für Materialwissenschaften, Philipps-Universität, D-35032 Marburg (Germany)

    2015-07-15

    Highlights: • The performance of a 2D time-of-flight electron spectrometer is demonstrated. • We discuss its application for time- and angle-resolved two-photon photoemission. • The decay dynamics of the first image-potential state on Cu(1 0 0) is investigated. • We find an azimuthal anisotropy of the decay rate with one-fold symmetry. • The anisotropy is attributed to residual steps on the nominal flat surface. - Abstract: We describe the design and operation of a time-of-flight electron spectrometer which is capable of simultaneously acquiring the energy and momentum distribution of low-energy photoelectrons in two dimensions parallel to the surface. We discuss its capabilities and limitations in particular for time- and angle-resolved two-photon photoemission (2PPE) with pulsed lasers. The performance of the spectrometer is demonstrated by presenting 2PPE data on the momentum-dependent electron dynamics of the first (n = 1) image-potential state on Cu(0 0 1). The data reveal a weak but systematic dependence of the decay dynamics on sample azimuth with one-fold symmetry which we attribute to a small residual step density on the nominal flat surface.

  15. Ultrafast dynamics of o-fluorophenol studied with femtosecond time-resolved photoelectron and photoion spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The ultrafast dynamics of o-fluorophenol via the excited states has been studied by femtosecond time-resolved photoelectron imaging. The photoion and photoelectron spectra taken with a time delay between 267 nm pump laser and 800 nm probe laser provide a longer-lived S1 electronic state of about ns timescale. In comparison,the spectra obtained by exciting the S2 state with femtosecond laser pulses at 400 nm and ionizing with pulses at 800 nm suggest that the S2 state has an ultrashort lifetime about 102 fs and reflects the internal conversion dynamics of the S2 state to the S1 state.

  16. Tetragonal and collapsed-tetragonal phases of CaFe2As2 : A view from angle-resolved photoemission and dynamical mean-field theory

    Science.gov (United States)

    van Roekeghem, Ambroise; Richard, Pierre; Shi, Xun; Wu, Shangfei; Zeng, Lingkun; Saparov, Bayrammurad; Ohtsubo, Yoshiyuki; Qian, Tian; Sefat, Athena S.; Biermann, Silke; Ding, Hong

    2016-06-01

    We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined "screened exchange + dynamical mean field theory" scheme.

  17. Adsorbate induced surface alloy formation investigated by near ambient pressure X-ray photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Nierhoff, Anders Ulrik Fregerslev; Conradsen, Christian Nagstrup; McCarthy, David Norman;

    2014-01-01

    for engineering of more active or selective catalyst materials. Dynamical surface changes on alloy surfaces due to the adsorption of reactants in high gas pressures are challenging to investigate using standard characterization tools. Here we apply synchrotron illuminated near ambient pressure X-ray photoelectron...

  18. State-to-State Spectroscopy and Dynamics of Ions and Neutrals by Photoionization and Photoelectron Methods

    Science.gov (United States)

    Ng, Cheuk-Yiu

    2014-04-01

    Recent advances in high-resolution photoionization, photoelectron, and photodissociation studies based on single-photon vacuum ultraviolet (VUV) and two-color infrared (IR)-VUV, visible (Vis)-ultraviolet (UV), and VUV-VUV laser excitations are illustrated with selected examples. VUV laser photoionization coupled with velocity-map-imaging threshold photoelectron (VMI-TPE) detection can achieve comparable energy resolution but has higher-detection sensitivities than those observed in VUV laser pulsed field ionization photoelectron (PFI-PE) measurements. For molecules with known intermediate states, IR-VUV and Vis-UV excitation schemes are highly sensitive for rovibronically selected and resolved PFI-PE studies. The successful applications of the VUV-PFI-PE, VUV-VMI-TPE, and Vis-UV-PFI-PE methods to state-resolved and state-to-state photoelectron studies of transient radicals and transitional metal-containing molecules are highlighted. The most recently established VUV-VUV pump-probe time-slice VMI photoion method is shown to be promising for state-to-state photodissociation studies of small molecules relevant to planetary atmospheres and for the fundamental understanding of photodissociation dynamics.

  19. State-To Spectroscopy and Dynamics of Ions and Neutrals by Photoionization and Photoelectron Methods

    Science.gov (United States)

    Ng, Cheuk-Yiu

    2014-06-01

    Recent advances in high-resolution photoionization, photoelectron, and photodissociation studies based on single-photon vacuum ultraviolet (VUV) and two-color infrared (IR)-VUV, visible (VIS)-ultraviolet (UV), and VUV-VUV laser excitations are illustrated with selected examples. We show that VUV laser photoionization coupled with velocity-map-imaging (VMI)-threshold photoelectron (VMI-TPE) detection can achieve comparable energy resolutions, but higher detection sensitivities than those observed in VUV laser pulsed field ionization-photoelectron (PFI-PE) measurements. For molecules with known intermediate states, IR-VUV and VIS-UV excitation schemes are highly sensitive for rovibronically selected and resolved PFI-PE studies. The successful applications of the VUV-PFI-PE, VUV-VMI-TPE and VIS-UV-PFI-PE methods to state-resolved and state-to-state photoelectron studies of transient radicals and transitional metal-containing molecules are highlighted. The most recently established VUV-VUV pump-probe time-slice VMI-photoion method is shown to be promising for state-to-state photodissociation studies of small molecules relevant to planetary atmospheres and for the fundamental understanding of photodissociation dynamics.

  20. Surface analysis of BPA-polycarbonate/ poly(butylene terephthalate) blends by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Burrell, Michael C.; Chera, John J.

    1988-10-01

    X-ray photoelectron spectroscopy is used to measure the surface composition of polycarbonate/ poly(butylene terephthalate) blends. The blend surface is enriched in PC compared to the bulk, with the surface PC/PBT ratio equal to about 1.6 times to bulk formation. For blends containing an impact modifier as a third component, the XPS spectra of the molded surface indicates that no impact modifier is present within the XPS sampling depth. A spectral simulation scheme improves the accuracy of the computed PC/PBT ratio over conventional data reduction schemes involving curve fitting.

  1. Resonance-enhanced multiphoton ionization photoelectron spectroscopy of even-parity autoionizing Rydberg states of atomic sulphur

    OpenAIRE

    Woutersen, S.; Milan,, M; Lange; Buma, W.J.

    1997-01-01

    Several previously unobserved Rydberg states of the sulphur atom above the lowest ionization threshold are identified and assigned using (2 + 1) resonance-enhanced multiphoton-ionization photoelectron spectroscopy. All states were accessed by two-photon transitions from either the 3P ground or the 1D excited state, prepared by in situ photodissociation of H2S. The observed states derive from the (2Do)5p and (2Po)4p configurations. For the (2Do)5p 3F and (2Po)4p 3D triplets, extensive photoele...

  2. Resonance enhanced multiphoton ionization photoelectron spectroscopy on nano- and picosecond timescales of Rydberg states of methyl iodide

    OpenAIRE

    Buma, W.J.; Dobber, M.R.; Lange

    1993-01-01

    Rydberg states of methyl iodide have been investigated using resonance enhanced multiphoton ionization in combination with photoelectron spectroscopy with nanosecond and picosecond laser pulses. The study of the ns (6n10) Rydberg states in two-, three-, and four-photon excitations has resulted in an unambiguous identification of state [1] in the 7s and 8s Rydberg states. As a consequence, it is concluded that the transition to 6s[1] in two- and three-photon excitations is anomalously weak. Th...

  3. Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization

    Energy Technology Data Exchange (ETDEWEB)

    Simone, Monica de, E-mail: desimone@tasc.infm.it [CNR-IOM Laboratorio TASC, Area Science Park Basovizza, 34149 Trieste (Italy); Snidero, Elena [CNR-IOM Laboratorio TASC, Area Science Park Basovizza, 34149 Trieste (Italy); Coreno, Marcello [CNR-IMIP, c/o Laboratorio TASC Area Science Park Basovizza, 34149 Trieste (Italy); Sincrotrone Trieste ScpA, Area Science Park Basovizza, 34149 Trieste (Italy); Bongiorno, Gero [Fondazione Filarete, v.le Ortles 22/4, 20139 Milano (Italy); Giorgetti, Luca [Istituto Europeo di Oncologia, Dip. di Oncologia Sperimentale, Via Adamello 16, 20139, Milano (Italy); Amati, Matteo [Sincrotrone Trieste ScpA, Area Science Park Basovizza, 34149 Trieste (Italy); Cepek, Cinzia [CNR-IOM Laboratorio TASC, Area Science Park Basovizza, 34149 Trieste (Italy)

    2012-05-01

    We used in-situ X-ray Photoelectron Spectroscopy (XPS) to study the oxidation process of a cluster-assembled metallic titanium film exposed to molecular oxygen at room temperature. The nanostructured film has been grown on a Si(111) substrate, in ultra high vacuum conditions, by coupling a supersonic cluster beam deposition system with an XPS experimental chamber. Our results show that upon in-situ oxygen exposure Ti{sup 3+} is the first oxidation state observed, followed by Ti{sup 4+}, whereas Ti{sup 2+} is practically absent during the whole process. Our results compare well with the existing literature on Ti films produced using other techniques.

  4. 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.

  5. Communication: Vibrationally resolved photoelectron spectroscopy of the tetracyanoquinodimethane (TCNQ) anion and accurate determination of the electron affinity of TCNQ

    Science.gov (United States)

    Zhu, Guo-Zhu; Wang, Lai-Sheng

    2015-12-01

    Tetracyanoquinodimethane (TCNQ) is widely used as an electron acceptor to form highly conducting organic charge-transfer solids. Surprisingly, the electron affinity (EA) of TCNQ is not well known and has never been directly measured. Here, we report vibrationally resolved photoelectron spectroscopy (PES) of the TCNQ- anion produced using electrospray and cooled in a cryogenic ion trap. Photoelectron spectrum taken at 354.7 nm represents the detachment transition from the ground state of TCNQ- to that of neutral TCNQ with a short vibrational progression. The EA of TCNQ is measured accurately to be 3.383 ± 0.001 eV (27 289 ± 8 cm-1), compared to the 2.8 ± 0.1 eV value known in the literature and measured previously using collisional ionization technique. In addition, six vibrational peaks are observed in the photoelectron spectrum, yielding vibrational frequencies for three totally symmetric modes of TCNQ. Two-photon PES via a bound electronic excited state of TCNQ- at 3.100 eV yields a broad low kinetic energy peak due to fast internal conversion to vibrationally excited levels of the anion ground electronic state. The high EA measured for TCNQ underlies its ability as a good electron acceptor.

  6. Communication: Vibrationally resolved photoelectron spectroscopy of the tetracyanoquinodimethane (TCNQ) anion and accurate determination of the electron affinity of TCNQ

    International Nuclear Information System (INIS)

    Tetracyanoquinodimethane (TCNQ) is widely used as an electron acceptor to form highly conducting organic charge-transfer solids. Surprisingly, the electron affinity (EA) of TCNQ is not well known and has never been directly measured. Here, we report vibrationally resolved photoelectron spectroscopy (PES) of the TCNQ− anion produced using electrospray and cooled in a cryogenic ion trap. Photoelectron spectrum taken at 354.7 nm represents the detachment transition from the ground state of TCNQ− to that of neutral TCNQ with a short vibrational progression. The EA of TCNQ is measured accurately to be 3.383 ± 0.001 eV (27 289 ± 8 cm−1), compared to the 2.8 ± 0.1 eV value known in the literature and measured previously using collisional ionization technique. In addition, six vibrational peaks are observed in the photoelectron spectrum, yielding vibrational frequencies for three totally symmetric modes of TCNQ. Two-photon PES via a bound electronic excited state of TCNQ− at 3.100 eV yields a broad low kinetic energy peak due to fast internal conversion to vibrationally excited levels of the anion ground electronic state. The high EA measured for TCNQ underlies its ability as a good electron acceptor

  7. Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations.

    Science.gov (United States)

    Schroeder, Christi A; Pluhařová, Eva; Seidel, Robert; Schroeder, William P; Faubel, Manfred; Slavíček, Petr; Winter, Bernd; Jungwirth, Pavel; Bradforth, Stephen E

    2015-01-14

    Oxidative damage to DNA and hole transport between nucleobases in oxidized DNA are important processes in lesion formation for which surprisingly poor thermodynamic data exist, the relative ease of oxidizing the four nucleobases being one such example. Theoretical simulations of radiation damage and charge transport in DNA depend on accurate values for vertical ionization energies (VIEs), reorganization energies, and standard reduction potentials. Liquid-jet photoelectron spectroscopy can be used to directly study the oxidation half-reaction. The VIEs of nucleic acid building blocks are measured in their native buffered aqueous environment. The experimental investigation of purine and pyrimidine nucleotides, nucleosides, pentose sugars, and inorganic phosphate demonstrates that photoelectron spectra of nucleotides arise as a spectral sum over their individual chemical components; that is, the electronic interactions between each component are effectively screened from one another by water. Electronic structure theory affords the assignment of the lowest energy photoelectron band in all investigated nucleosides and nucleotides to a single ionizing transition centered solely on the nucleobase. Thus, combining the measured VIEs with theoretically determined reorganization energies allows for the spectroscopic determination of the one-electron redox potentials that have been difficult to establish via electrochemistry. PMID:25551179

  8. Simple surface structure determination from Fourier transforms of angle-resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Y. [Pennsylvania State Univ., University Park, PA (United States)]|[Lawrence Berkeley Lab., CA (United States); Shirley, D.A. [Pennsylvania State Univ., University Park, PA (United States)

    1995-02-01

    The authors show by Fourier analyses of experimental data, with no further treatment, that the positions of all the strong peaks in Fourier transforms of angle-resolved photoemission extended fine structure (ARPEFS) from adsorbed surfaces can be explicitly predicted from a trial structure with an accuracy of about {+-} 0.3 {angstrom} based on a single-scattering cluster model together with the concept of a strong backscattering cone, and without any additional analysis. This characteristic of ARPEFS Fourier transforms can be developed as a simple method for determining the structures of adsorbed surfaces to an accuracy of about {+-} 0.1 {angstrom}.

  9. Angle-resolved photoemission spectroscopy of band tails in lightly doped cuprates

    OpenAIRE

    Alexandrov, A. S.; Reynolds, K.

    2007-01-01

    We amend ab initio strongly-correlated band structures by taking into account the band-tailing phenomenon in doped charge-transfer Mott-Hubbard insulators. We show that the photoemission from band tails accounts for sharp "quasi-particle" peaks, rapid loss of their intensities in some directions of the Brillouin zone ("Fermi-arcs") and high-energy "waterfall" anomalies as a consequence of matrix-element effects of disorder-localised states in the charge-transfer gap of doped cuprates.

  10. Accessing Phonon Polaritons in Hyperbolic Crystals by Angle-Resolved Photoemission Spectroscopy

    OpenAIRE

    Tomadin, Andrea; Principi, Alessandro; Song, Justin C. W.; Levitov, Leonid S.; Polini, Marco

    2015-01-01

    Recently studied hyperbolic materials host unique phonon-polariton (PP) modes. The ultrashort wavelengths of these modes, as well as their low damping, hold promise for extreme subdiffraction nanophotonics schemes. Polar hyperbolic materials such as hexagonal boron nitride can be used to realize long-range coupling between PP modes and extraneous charge degrees of freedom. The latter, in turn, can be used to control and probe PP modes. Here we analyze coupling between PP modes and plasmons in...

  11. Electronic structure of ion arsenic high temperature superconductors studied by angle resolved photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chang [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The main purpose of the present thesis is to present our ARPES results on the iron arsenic superconductors. As revealed by a series of ARPES measurements on both the AEFe2As2 and the RFeAs(O,F) families (parent compound and carrier-doped systems), the electronic structures of the pnictides are complicated, three dimensional, and closely linked to their superconducting behavior (13; 14; 15; 16; 17; 18; 19). Parent compounds of these materials exhibit the basic hole-electron pocket dual plus an apparent Fermi surface reconstruction caused by long range antiferromagnetism (13; 15). When carriers are introduced, the chemical potential shifts in accordance with the Luttinger theorem and the rigid band shifting picture (13). Importantly, both the appearance and disappearance of the superconducting dome at low and high doping levels have intimate relation with topological changes at the Fermi surfaces, resulting in a specific Fermi topology being favored by superconductivity (15; 16). On the low doping side, superconductivity emerges in the phase diagram once the antiferromagnetic reconstruction disappears below the Fermi level, returning the Fermi surface to its paramagnetic-like appearance. On the high doping side, superconductivity disappears around a doping level at which the central hole pocket vanishes due to increasing electron concentration. Such phenomena are evidence for the governing role the electronic structure plays in their superconducting behavior.

  12. Studies of Dirac and Weyl fermions by angle resolved photoemission spectroscopy

    Science.gov (United States)

    Huang, Lunan

    This dissertation consists of three parts. First, we study magnetic domains in Nd2Fe14 B single crystals using high resolution magnetic force microscopy (MFM). In addition to the elongated, wavy nano-domains reported by a previous MFM study, we found that the micrometer size, star-shaped fractal pattern is constructed of an elongated network of nano-domains about 20 nm in width, with resolution-limited domain walls thinner than 2 nm. Second, we studied extra Dirac cones of multilayer graphene on SiC surface by ARPES and SPA-LEED. We discovered extra Dirac cones on Fermi surface due to SiC 6 x 6 and graphene 6√3 x 6√3 coincidence lattice on both single-layer and three-layer graphene sheets. We interpreted the position and intensity of the Dirac cone replicas, based on the scattering vectors from LEED patterns. We found the positions of replica Dirac cones are determined mostly by the 6 x 6 SiC superlattice even graphene layers grown thicker. Finally, we studied the electronic structure of MoTe2 by ARPES and experimentally confirmed the prediction of type II Weyl state in this material. By combining the result of Density Functional Theory calculations and Berry curvature calculations with out experimental data, we identified Fermi arcs, track states and Weyl points, all features predicted to exist in a type II Weyl semimetal. This material is an excellent playground for studies of exotic Fermions.

  13. Photoelectron and UV absorption spectroscopy for determination of electronic configurations of negative molecular ions: Chlorophenols

    Energy Technology Data Exchange (ETDEWEB)

    Tseplin, E.E. [Institute of Molecular and Crystal Physics, Ufa Research Centre, Russian Academy of Sciences, October Prospect 151, Ufa 450075 (Russian Federation)], E-mail: tzeplin@mail.ru; Tseplina, S.N.; Tuimedov, G.M.; Khvostenko, O.G. [Institute of Molecular and Crystal Physics, Ufa Research Centre, Russian Academy of Sciences, October Prospect 151, Ufa 450075 (Russian Federation)

    2009-04-15

    The photoelectron and UV absorption spectra of p-, m-, and o-chlorophenols in the gas phase have been obtained. On the basis of DFT B3LYP/6-311++G(d, p) calculations, the photoelectron bands have been assigned to occupied molecular orbitals. From the TDDFT B3LYP/6-311++G(d, p) calculation results, the UV absorption bands have been assigned to excited singlet states of the molecules under investigation. For each excited state a dominant transition was found. It has been shown that the energies of these singlet transitions correlate with the energy differences between the ground-state molecular orbitals participating in them. Using the UV spectra interpretation, the electronic states of molecular anions detected earlier for the same compounds by means of the resonant electron capture mass-spectrometry have been determined.

  14. Coincidence and covariance data acquisition in photoelectron and -ion spectroscopy. I. Formal theory

    Science.gov (United States)

    Mikosch, Jochen; Patchkovskii, Serguei

    2013-10-01

    We derive a formal theory of noisy Poisson processes with multiple outcomes. We obtain simple, compact expressions for the probability distribution function of arbitrarily complex composite events and its moments. We illustrate the utility of the theory by analyzing properties of coincidence and covariance photoelectron-photoion detection involving single-ionization events. The results and techniques introduced in this work are directly applicable to more general coincidence and covariance experiments, including multiple ionization and multiple-ion fragmentation pathways.

  15. X-ray photoelectron spectroscopy characterization of copper-iron spinel as a catalyst for steam reforming of oxygenated hydrocarbon

    Energy Technology Data Exchange (ETDEWEB)

    Faungnawakij, Kajornsak [National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency, 111 Thailand Science Park, Paholyothin Rd., Klong Luang, Patumthani 12120 (Thailand); Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510 (Japan)], E-mail: kajornsak@nanotec.or.th; Kikuchi, Ryuji; Eguchi, Koichi [Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510 (Japan)

    2009-04-15

    Well-crystallized spinel CuFe{sub 2}O{sub 4} in the tetragonal phase is obtained by calcination at 900 deg. C of the cubic CuFe{sub 2}O{sub 4} prepared via a citrate sol-gel method. X-ray photoelectron spectroscopy coupled with Auger electron spectroscopy analysis reveals a high Cu{sup 1+}/Cu{sup 0} ratio of {approx}3/2 with negligible Cu{sup 2+} over the calcined CuFe{sub 2}O{sub 4} subjected to in situ H{sub 2} reduction. The Cu{sup 1+}-rich surface is considered to play a key role on the excellent catalytic performance in steam reforming of dimethyl ether for hydrogen generation.

  16. A simple electron time-of-flight spectrometer for ultrafast vacuum ultraviolet photoelectron spectroscopy of liquid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Arrell, C. A., E-mail: christopher.arrell@epfl.ch; Ojeda, J.; Mourik, F. van; Chergui, M. [Laboratory of Ultrafast Spectroscopy, ISIC, Station 6, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Sabbar, M.; Gallmann, L.; Keller, U. [Physics Department, ETH Zurich, 8093 Zurich (Switzerland); Okell, W. A.; Witting, T.; Siegel, T.; Diveki, Z.; Hutchinson, S.; Tisch, J. W.G.; Marangos, J. P. [Department of Physics, The Blackett Laboratory, Imperial College, London SW7 2AZ (United Kingdom); Chapman, R. T.; Cacho, C.; Rodrigues, N.; Turcu, I. C.E.; Springate, E. [Central Laser Facility, STFC Rutherford Appleton Laboratory, Oxon OX11 0QX (United Kingdom)

    2014-10-01

    We present a simple electron time of flight spectrometer for time resolved photoelectron spectroscopy of liquid samples using a vacuum ultraviolet (VUV) source produced by high-harmonic generation. The field free spectrometer coupled with the time-preserving monochromator for the VUV at the Artemis facility of the Rutherford Appleton Laboratory achieves an energy resolution of 0.65 eV at 40 eV with a sub 100 fs temporal resolution. A key feature of the design is a differentially pumped drift tube allowing a microliquid jet to be aligned and started at ambient atmosphere while preserving a pressure of 10⁻¹ mbar at the micro channel plate detector. The pumping requirements for photoelectron (PE) spectroscopy in vacuum are presented, while the instrument performance is demonstrated with PE spectra of salt solutions in water. The capability of the instrument for time resolved measurements is demonstrated by observing the ultrafast (50 fs) vibrational excitation of water leading to temporary proton transfer.

  17. Irradiation-induced degradation of PTB7 investigated by valence band and S 2p photoelectron spectroscopy

    Science.gov (United States)

    Darlatt, Erik; Muhsin, Burhan; Roesch, Roland; Lupulescu, Cosmin; Roth, Friedrich; Kolbe, Michael; Gottwald, Alexander; Hoppe, Harald; Richter, Mathias

    2016-08-01

    Monochromatic radiation with known absolute radiant power from an undulator at the electron storage ring Metrology Light Source (MLS) was used to irradiate PTB7 (a thieno[3, 4-b]thiophene-alt-benzodithiophene polymer) thin films at wavelengths (photon energies) of 185 nm (6.70 eV), 220 nm (5.64 eV), 300 nm (4.13 eV), 320 nm (3.88 eV), 356 nm (3.48 eV) and 675 nm (1.84 eV) under ultra-high vacuum conditions for the investigation of radiation-induced degradation effects. The characterization of the thin films is focused at ultraviolet photoelectron spectroscopy (UPS) of valence bands and is complemented by S 2p x-ray photoelectron spectroscopy (S 2p XPS) before and after the irradiation procedure. The radiant exposure was determined for each irradiation by means of photodiodes traceably calibrated to the international system of units SI. The valence band spectra show the strongest changes for the shortest wavelengths and no degradation effect at 356 nm and 675 nm even with the highest radiant exposure applied. In the spectral range where the Sun appears bright on the Earth’s surface, no degradation effects are observed.

  18. X-ray photoelectron spectroscopy study of irradiation-induced amorphizaton of Gd2Ti2O7

    Science.gov (United States)

    Chen, J.; Lian, J.; Wang, L. M.; Ewing, R. C.; Boatner, L. A.

    2001-09-01

    The radiation-induced evolution of the microstructure of Gd2Ti2O7, an important pyrochlore phase in radioactive waste disposal ceramics and a potential solid electrolyte and oxygen gas sensor, has been characterized using transmission electron microscopy and x-ray photoelectron spectroscopy. Following the irradiation of a Gd2Ti2O7 single crystal with 1.5 MeV Xe+ ions at a fluence of 1.7×1014Xe+/cm2, cross-sectional transmission electron microscopy revealed a 300-nm-thick amorphous layer at the specimen surface. X-ray photoelectron spectroscopy analysis of the Ti 2p and O 1s electron binding energy shifts of Gd2Ti2O7 before and after amorphization showed that the main results of ion-irradiation-induced disorder are a decrease in the coordination number of titanium and a transformation of the Gd-O bond. These features resemble those occurring in titanate glass formation, and they have implications for the chemical stability and electronic properties of pyrochlores subjected to displacive radiation damage.

  19. Angle-resolved multioctave supercontinua from mid-infrared laser filaments.

    Science.gov (United States)

    Mitrofanov, A V; Voronin, A A; Sidorov-Biryukov, D A; Mitryukovsky, S I; Rozhko, M V; Pugžlys, A; Fedotov, A B; Panchenko, V Ya; Baltuška, A; Zheltikov, A M

    2016-08-01

    Angle-resolved spectral analysis of a multioctave high-energy supercontinuum output of mid-infrared laser filaments is shown to provide a powerful tool for understanding intricate physical scenarios behind laser-induced filamentation in the mid-infrared. The ellipticity of the mid-infrared driver beam breaks the axial symmetry of filamentation dynamics, offering a probe for a truly (3+1)-dimensional spatiotemporal evolution of mid-IR pulses in the filamentation regime. With optical harmonics up to the 15th order contributing to supercontinuum generation in such filaments alongside Kerr-type and ionization-induced nonlinearities, the output supercontinuum spectra span over five octaves from the mid-ultraviolet deep into the mid-infrared. Full (3+1)-dimensional field evolution analysis is needed for an adequate understanding of this regime of laser filamentation. Supercomputer simulations implementing such analysis articulate the critical importance of angle-resolved measurements for both descriptive and predictive power of filamentation modeling. Strong enhancement of ionization-induced blueshift is shown to offer new approaches in filamentation-assisted pulse compression, enabling the generation of high-power few- and single-cycle pulses in the mid-infrared. PMID:27472598

  20. Investigation of low-Z Coster-Kronig transitions by means of Auger and photoelectron spectroscopy

    Science.gov (United States)

    Yin, L. I.; Tsang, T.; Adler, I.

    1972-01-01

    Experimental intensity ratios of Auger transitions for Co, Ni, Cu, and Zn as well as the relative L sub 2 and L sub 3 level widths of Cu and Zn, derived from their photoelectron spectra, are presented. Evidence is presented that a great deal of vacancy reorganization took place following photoionization and prior to Auger emission. These reorganizations are assumed to be due to Coster-Kronig transitions f sub 23. These results are compared with theoretical calculations and agree with predicted discontinuity at Z = 30 where f sub 23 transitions become energetically impossible.

  1. Electronic structure effects in liquid water studied by photoelectron spectroscopy and density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Nordlund, Dennis; Odelius, Michael; Bluhm, Hendrik; Ogasawara, Hirohito; Pettersson, Lars G.M.; Nilsson, Anders

    2008-04-29

    We present valence photoelectron emission spectra of liquid water in comparison with gas-phase water, ice close to the melting point, low temperature amorphous and crystalline ice. All aggregation states have major electronic structure changes relative to the free molecule, with rehybridization and development of bonding and anti-bonding states accompanying the hydrogen bond formation. Sensitivity to the local structural order, most prominent in the shape and splitting of the occupied 3a{sub 1} orbital, is understood from the electronic structure averaging over various geometrical structures, and reflects the local nature of the orbital interaction.

  2. Electronic structures of melatonin and related compounds studied by photoelectron spectroscopy

    CERN Document Server

    Kubota, M

    2003-01-01

    Melatonin is a hormone structurally regarded as being composed of a 5-methoxyindole group and an N-ethylacetamide group; its various physiological activities have attracted a great deal of attention recently. The gas phase He(I) photoelectron spectra of melatonin (M) and its related compounds including N-acetylserotonin have been studied with the aid of molecular orbital calculations. The first photoelectron spectral band group of compound M is ascribed to ionizations from the two pi orbitals localized on the methoxyindole group. The second band group is quite complicated and is regarded as being composed of several bands. The lower energy part of the second band group is ascribed to the three orbitals relevant to the third highest occupied pi orbital of 5-methoxyindole and the highest occupied pi and the n sub C sub = sub 0 orbitals of N-ethylacetamide. The interactions among the three orbitals have been found to operate on the basis of the molecular orbital calculations; these interactions depend strongly o...

  3. A Study on the Structure and Photodetachment Dynamics of Copper Based Molecular Anions Using Photoelectron Spectroscopy

    Science.gov (United States)

    Holtgrewe, Nicholas Stephen

    This dissertation represents a study of the effects of electron molecule interactions in the detachment and dissociation dynamics of copper based molecular anions. Results are presented on the photodetachment of small copper oxide CuOn-- (n = 1, 2) and copper fluoride CuFn-- (n = 1, 2) molecular anions. Effects of different resonances are explored using the photoelectron angular distributions (PADs) and the relative intensity variations in vibrational channel cross sections. The specific resonances studied include dipole bound resonances, in which the electric dipole moment of the neutral molecule captures the outgoing electron, and electronic Feshbach resonances, in which the anion undergoes absorption to an excited anion state (lying energetically above the neutral) followed by relaxation via autodetachment into the electronic continuum. In addition to electron scattering resonances, the effects of dissociation dynamics on linear CuO2-- are studied, wherein the linear anion isomer was found to dissociate to Cu-- fragments. This dissociation process is interpreted with experimental data acquired from nanosecond photoelectron images and a femtosecond time resolved study.

  4. Electronic structures of melatonin and related compounds studied by photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kubota, Mari. E-mail: marik@hc.cc.keio.ac.jp; Kobayashi, Tsunetoshi

    2003-02-01

    Melatonin is a hormone structurally regarded as being composed of a 5-methoxyindole group and an N-ethylacetamide group; its various physiological activities have attracted a great deal of attention recently. The gas phase He(I) photoelectron spectra of melatonin (M) and its related compounds including N-acetylserotonin have been studied with the aid of molecular orbital calculations. The first photoelectron spectral band group of compound M is ascribed to ionizations from the two {pi} orbitals localized on the methoxyindole group. The second band group is quite complicated and is regarded as being composed of several bands. The lower energy part of the second band group is ascribed to the three orbitals relevant to the third highest occupied {pi} orbital of 5-methoxyindole and the highest occupied {pi} and the n{sub C=0} orbitals of N-ethylacetamide. The interactions among the three orbitals have been found to operate on the basis of the molecular orbital calculations; these interactions depend strongly on the conformations. The high energy end of the second band group is relevant to the {pi} orbital mainly localized on the 5-methoxyindole group and is ascribed to the fourth highest occupied {pi} orbital of 5-methoxyindole.

  5. Expansion dynamics of supercritical water probed by picosecond time-resolved photoelectron spectroscopy.

    Science.gov (United States)

    Gladytz, Thomas; Abel, Bernd; Siefermann, Katrin R

    2015-02-21

    Vibrational excitation of liquid water with femtosecond laser pulses can create extreme states of water. Yet, the dynamics directly after initial sub-picosecond delocalization of molecular vibrations remain largely unclear. We study the ultrafast expansion dynamics of an accordingly prepared supercritical water phase with a picosecond time resolution. Our experimental setup combines vacuum-compatible liquid micro-jet technology and a table top High Harmonic light source driven by a femtosecond laser system. An ultrashort laser pulse centered at a wavelength of 2900 nm excites the OH-stretch vibration of water molecules in the liquid. The deposited energy corresponds to a supercritical phase with a temperature of about 1000 K and a pressure of more than 1 GPa. We use a time-delayed extreme ultraviolet pulse centered at 38.6 eV, and obtained via High Harmonic generation (HHG), to record valence band photoelectron spectra of the expanding water sample. The series of photoelectron spectra is analyzed with noise-corrected target transform fitting (cTTF), a specifically developed multivariate method. Together with a simple fluid dynamics simulation, the following picture emerges: when a supercritical phase of water expands into vacuum, temperature and density of the first few nanometers of the expanding phase drop below the critical values within a few picoseconds. This results in a supersaturated phase, in which condensation seeds form and grow from small clusters to large clusters on a 100 picosecond timescale.

  6. Magnetic dichroism in angle-resolved hard x-ray photoemission from buried layers

    Science.gov (United States)

    Kozina, Xeniya; Fecher, Gerhard H.; Stryganyuk, Gregory; Ouardi, Siham; Balke, Benjamin; Felser, Claudia; Schönhense, Gerd; Ikenaga, Eiji; Sugiyama, Takeharu; Kawamura, Naomi; Suzuki, Motohiro; Taira, Tomoyuki; Uemura, Tetsuya; Yamamoto, Masafumi; Sukegawa, Hiroaki; Wang, Wenhong; Inomata, Koichiro; Kobayashi, Keisuke

    2011-08-01

    This work reports the measurement of magnetic dichroism in angular-resolved photoemission from in-plane magnetized buried thin films. The high bulk sensitivity of hard x-ray photoelectron spectroscopy (HAXPES) in combination with circularly polarized radiation enables the investigation of the magnetic properties of buried layers. HAXPES experiments with an excitation energy of 8 keV were performed on exchange-biased magnetic layers covered by thin oxide films. Two types of structures were investigated with the IrMn exchange-biasing layer either above or below the ferromagnetic layer: one with a CoFe layer on top and another with a Co2FeAl layer buried beneath the IrMn layer. A pronounced magnetic dichroism is found in the Co and Fe 2p states of both materials. The localization of the magnetic moments at the Fe site conditioning the peculiar characteristics of the Co2FeAl Heusler compound, predicted to be a half-metallic ferromagnet, is revealed from the magnetic dichroism detected in the Fe 2p states.

  7. 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

    2016-02-28

    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 (3)H4 spectral term derived from a U 7sσ(2)5fφ(1)5fδ(1) electron configuration, whereas the ground state of neutral UFO has a (4)H(7/2) spectral term with a U 7sσ(1)5fφ(1)5fδ(1) 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. PMID:26931704

  8. 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

    2016-02-28

    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 (3)H4 spectral term derived from a U 7sσ(2)5fφ(1)5fδ(1) electron configuration, whereas the ground state of neutral UFO has a (4)H(7/2) spectral term with a U 7sσ(1)5fφ(1)5fδ(1) 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.

  9. Surface study of stainless steel electrode deposition from soil electrokinetic (EK) treatment using X-ray photoelectron spectroscopy (XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Embong, Zaidi, E-mail: zaidi@uthm.edu.my [Faculty of Science, Technology and Human Development, Universiti Tun Hussien Onn Malaysia (UTHM) 86400, Parit Raja, Batu, Johor (Malaysia); Research Centre for Soft Soils (RECESS), Office for Research, Innovation, Commercialization and Consultancy Management (ORICC), Universiti Tun Hussien Onn Malaysia UTHM 86400, Parit Raja, Batu, Johor (Malaysia); Johar, Saffuwan [Faculty of Science, Technology and Human Development, Universiti Tun Hussien Onn Malaysia (UTHM) 86400, Parit Raja, Batu, Johor (Malaysia); Tajudin, Saiful Azhar Ahmad [Research Centre for Soft Soils (RECESS), Office for Research, Innovation, Commercialization and Consultancy Management (ORICC), Universiti Tun Hussien Onn Malaysia UTHM 86400, Parit Raja, Batu, Johor (Malaysia); Sahdan, Mohd Zainizan [Microelectronics and Nanotechnology Centre (MiNT-SRC), Office for Research, Innovation, Commercialization and Consultancy Management (ORICC), Universiti Tun Hussien Onn Malaysia UTHM 86400, Parit Raja, Batu, Johor (Malaysia)

    2015-04-29

    Electrokinetic (EK) remediation relies upon application of a low-intensity direct current through the soil between stainless steel electrodes that are divided into a cathode array and an anode array. This mobilizes charged species, causing ions and water to move toward the electrodes. Metal ions and positively charged organic compounds move toward the cathode. Anions such as chloride, fluoride, nitrate, and negatively charged organic compounds move toward the anode. Here, this remediation techniques lead to a formation of a deposition at the both cathode and anode surface that mainly contributed byanion and cation from the remediated soil. In this research, Renggam-Jerangau soil species (HaplicAcrisol + RhodicFerralsol) with a surveymeter reading of 38.0 ± 3.9 μR/hr has been investigation in order to study the mobility of the anion and cation under the influence electric field. Prior to the EK treatment, the elemental composition of the soil and the stainless steel electrode are measured using XRF analyses. Next, the soil sample is remediated at a constant electric potential of 30 V within an hour of treatment period. A surface study for the deposition layer of the cathode and anode using X-ray Photoelectron spectroscopy (XPS) revealed that a narrow photoelectron signal from oxygen O 1s, carbon, C 1s silica, Si 2p, aluminium, Al 2p and chromium, Cr 2p exhibited on the electrode surface and indicate that a different in photoelectron intensity for each element on both electrode surface. In this paper, the mechanism of Si{sup 2+} and Al{sup 2+} cation mobility under the influence of voltage potential between the cathode and anode will be discussed in detail.

  10. Surface study of stainless steel electrode deposition from soil electrokinetic (EK) treatment using X-ray photoelectron spectroscopy (XPS)

    Science.gov (United States)

    Embong, Zaidi; Johar, Saffuwan; Tajudin, Saiful Azhar Ahmad; Sahdan, Mohd Zainizan

    2015-04-01

    Electrokinetic (EK) remediation relies upon application of a low-intensity direct current through the soil between stainless steel electrodes that are divided into a cathode array and an anode array. This mobilizes charged species, causing ions and water to move toward the electrodes. Metal ions and positively charged organic compounds move toward the cathode. Anions such as chloride, fluoride, nitrate, and negatively charged organic compounds move toward the anode. Here, this remediation techniques lead to a formation of a deposition at the both cathode and anode surface that mainly contributed byanion and cation from the remediated soil. In this research, Renggam-Jerangau soil species (HaplicAcrisol + RhodicFerralsol) with a surveymeter reading of 38.0 ± 3.9 μR/hr has been investigation in order to study the mobility of the anion and cation under the influence electric field. Prior to the EK treatment, the elemental composition of the soil and the stainless steel electrode are measured using XRF analyses. Next, the soil sample is remediated at a constant electric potential of 30 V within an hour of treatment period. A surface study for the deposition layer of the cathode and anode using X-ray Photoelectron spectroscopy (XPS) revealed that a narrow photoelectron signal from oxygen O 1s, carbon, C 1s silica, Si 2p, aluminium, Al 2p and chromium, Cr 2p exhibited on the electrode surface and indicate that a different in photoelectron intensity for each element on both electrode surface. In this paper, the mechanism of Si2+ and Al2+ cation mobility under the influence of voltage potential between the cathode and anode will be discussed in detail.

  11. Excited state dynamics in SO2. I. Bound state relaxation studied by time-resolved photoelectron-photoion coincidence spectroscopy.

    Science.gov (United States)

    Wilkinson, Iain; Boguslavskiy, Andrey E; Mikosch, Jochen; Bertrand, Julien B; Wörner, Hans Jakob; Villeneuve, David M; Spanner, Michael; Patchkovskii, Serguei; Stolow, Albert

    2014-05-28

    The excited state dynamics of isolated sulfur dioxide molecules have been investigated using the time-resolved photoelectron spectroscopy and time-resolved photoelectron-photoion coincidence techniques. Excited state wavepackets were prepared in the spectroscopically complex, electronically mixed (B̃)(1)B1/(Ã)(1)A2, Clements manifold following broadband excitation at a range of photon energies between 4.03 eV and 4.28 eV (308 nm and 290 nm, respectively). The resulting wavepacket dynamics were monitored using a multiphoton ionisation probe. The extensive literature associated with the Clements bands has been summarised and a detailed time domain description of the ultrafast relaxation pathways occurring from the optically bright (B̃)(1)B1 diabatic state is presented. Signatures of the oscillatory motion on the (B̃)(1)B1/(Ã)(1)A2 lower adiabatic surface responsible for the Clements band structure were observed. The recorded spectra also indicate that a component of the excited state wavepacket undergoes intersystem crossing from the Clements manifold to the underlying triplet states on a sub-picosecond time scale. Photoelectron signal growth time constants have been predominantly associated with intersystem crossing to the (c̃)(3)B2 state and were measured to vary between 750 and 150 fs over the implemented pump photon energy range. Additionally, pump beam intensity studies were performed. These experiments highlighted parallel relaxation processes that occurred at the one- and two-pump-photon levels of excitation on similar time scales, obscuring the Clements band dynamics when high pump beam intensities were implemented. Hence, the Clements band dynamics may be difficult to disentangle from higher order processes when ultrashort laser pulses and less-differential probe techniques are implemented.

  12. Angle resolved XPS of monomolecular layer of 5-chlorobenzotriazole on oxidized metallic surface

    Science.gov (United States)

    Kazansky, L. P.; Selyaninov, I. A.; Kuznetsov, Yu. I.

    2012-10-01

    Angle resolved XPS is used to study adsorption of 5-chlorobenzotriazole (5-chloroBTAH) on surfaces of the oxidized metals: mild steel, copper and zinc from borate buffer solution (pH 7.4). It is shown that for the metals studied the 5-chloroBTA anions, when adsorbed, form a monomolecular layer whose thickness is ∼6 Å comparable with the size of BTA. As XPS evidences adsorption proceeds with deprotonation of 5-chloroBTAH and formation of the coordination bonds between the lone pair of nitrogens and cation of a metal. Measuring XPS at two different angles unequivocally points out almost vertical arrangement of the anions toward the sample surface, when chlorine atoms form outmost virtual layer.

  13. Angle-resolved spin wave band diagrams of square antidot lattices studied by Brillouin light scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gubbiotti, G.; Tacchi, S. [Istituto Officina dei Materiali del Consiglio Nazionale delle Ricerche (IOM-CNR), Sede di Perugia, c/o Dipartimento di Fisica e Geologia, Via A. Pascoli, I-06123 Perugia (Italy); Montoncello, F.; Giovannini, L. [Dipartimento di Fisica e Scienze della Terra, Università di Ferrara, Via G. Saragat 1, I-44122 Ferrara (Italy); Madami, M.; Carlotti, G. [Dipartimento di Fisica e Geologia, Università di Perugia, Via A. Pascoli, I-06123 Perugia (Italy); Ding, J.; Adeyeye, A. O. [Information Storage Materials Laboratory, Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117576 (Singapore)

    2015-06-29

    The Brillouin light scattering technique has been exploited to study the angle-resolved spin wave band diagrams of squared Permalloy antidot lattice. Frequency dispersion of spin waves has been measured for a set of fixed wave vector magnitudes, while varying the wave vector in-plane orientation with respect to the applied magnetic field. The magnonic band gap between the two most dispersive modes exhibits a minimum value at an angular position, which exclusively depends on the product between the selected wave vector magnitude and the lattice constant of the array. The experimental data are in very good agreement with predictions obtained by dynamical matrix method calculations. The presented results are relevant for magnonic devices where the antidot lattice, acting as a diffraction grating, is exploited to achieve multidirectional spin wave emission.

  14. HeI photoelectron spectroscopy of the isoproxy (CH 3) 2CHO radical

    Science.gov (United States)

    Zheng, Sun; Shijun, Zheng; Lingpeng, Meng; Dianxun, Wang

    2003-02-01

    A continuous (CH 3) 2CHO radical beam is generated by pyrolysis of (CH 3) 2CHONO at 145(±0.5) °C. The HeI photoelectron spectrum of (CH 3) 2CHO is recorded in situ. The IP of (CH 3) 2CHO is 9.70 eV and the spectrum of the X3A″ state of (CH 3) 2CHO + exhibits a vibrational progression of 1200±60 cm-1. The removal of an electron from the highest occupied molecular orbital 11a ', which corresponds to ionization process of ( CH3) 2CHO+( 1A')←( CH3) 2CHO( X2A') , leads to a very sharp peak at 10.21 eV. This study provides new experimental and theoretical ionization energies of several ionic states of (CH 3) 2CHO.

  15. X-ray photoelectron spectroscopy of the uranium/oxygen system: Part 13

    International Nuclear Information System (INIS)

    The reaction between commercial H2 and uranium metal leads to the formation of UO2 due to traces of water vapour or oxygen. When extremely pure H2 is used uranium hydride may be formed but, even with 99.9999% H2, uranium dioxide forms preferentially. The present work identifies the presence of UH3 in the X-ray photoelectron spectrum of a uranium sample which has been exposed to ∼ 5 mbar H2 at ∼ 2000C for 1 hour. This spectrum indicates that the hydride possesses a high degree of covalency, since the oxidation state of uranium in UH3 appears to be ∼ 1.4. (U.K.)

  16. First stages of surface steel nitriding: X-ray photoelectron spectroscopy and electrical measurements

    Science.gov (United States)

    Flori, M.; Gruzza, B.; Bideux, L.; Monier, G.; Robert-Goumet, C.; Benamara, Z.

    2009-08-01

    Quantitative and qualitative analysis techniques were employed to study the first stages of ultra-high vacuum plasma nitriding of the 42CrMo4 steel. At constant treatment temperature, maintained for all samples at about 360 °C, we have established the influence of treatment time on the chemical composition, thickness and electrical properties of the nitrided layer. In this purpose it was used a stacking atomic layer model describing the sample surface, which takes into account the attenuation depth of photoelectrons by the atomic monolayers. So, we have found that after 2 h of nitriding in laboratory conditions, 70% of the nitrided layer was composed of iron oxide. Also, I- V measurements indicate an influence of the nitride overlayer with increasing treatment time.

  17. First stages of surface steel nitriding: X-ray photoelectron spectroscopy and electrical measurements

    Energy Technology Data Exchange (ETDEWEB)

    Flori, M., E-mail: flori.mihaela@fih.upt.ro [' Politehnica' University of Timisoara, Faculty of Engineering of Hunedoara, 331128 Hunedoara (Romania); Gruzza, B.; Bideux, L.; Monier, G.; Robert-Goumet, C. [LASMEA, UMR CNRS 6602, Blaise Pascal University, 63177 Aubiere Cedex (France); Benamara, Z. [Laboratoire de Microelectronique Appliquee, Sidi Bel Abbes University, 22000 Sidi Bel Abbes (Algeria)

    2009-08-30

    Quantitative and qualitative analysis techniques were employed to study the first stages of ultra-high vacuum plasma nitriding of the 42CrMo4 steel. At constant treatment temperature, maintained for all samples at about 360 deg. C, we have established the influence of treatment time on the chemical composition, thickness and electrical properties of the nitrided layer. In this purpose it was used a stacking atomic layer model describing the sample surface, which takes into account the attenuation depth of photoelectrons by the atomic monolayers. So, we have found that after 2 h of nitriding in laboratory conditions, 70% of the nitrided layer was composed of iron oxide. Also, I-V measurements indicate an influence of the nitride overlayer with increasing treatment time.

  18. Lineshapes, shifts and broadenings in dynamical X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    We describe in detail a model that can be used to estimate the X-ray photoelectron spectroscopic data of surfaces when a time varying bias or a modulation of the electrical properties of the surface is applied by external stimulation, in the presence of a neutralizing electron beam. Using the model and spectra recorded under periodic sample bias modulation, certain electronic properties related to charging dynamics of the surface can be estimated. The resulting technique is a non-contact impedance measurement technique with chemical specificity. Typical behavior of spectra under a square wave bias is given. Alternative modulation schemes are investigated, including small-signal square wave modulation, sinusoidal modulation and modulation of sample resistivity under fixed bias.

  19. Anion Photoelectron Spectroscopy of Mo-V Binary Transition Metal Suboxide Clusters

    Science.gov (United States)

    Jarrold, Caroline Chick; Mann, Jennifer E.; Waller, Sarah E.; Rothgeb, David W.

    2010-06-01

    Vibrationally-resolved photoelectron spectra of molybdenum vanadium oxo cluster anions with 2 to 5 oxygen atoms and measured using 2.33 eV, 3.49 eV and 4.66 eV photon energies generally exhibit broad and overlapping electronic states. The adiabatic electron affinities for the series are 1.68(3) eV, 1.73(3) eV, 2.89(1) eV, and 3.4(1) eV for two through five oxygen atoms, respectively. Vibrational structure observed in the spectra can be reconciled with the lowest energy structural isomers of the anions determined in DFT calculations: The lowest energy isomers have low symmetry, with the Mo center in a higher oxidation state than the V center, and high spin states are favored.

  20. Forward scattering in hard X-ray photoelectron spectroscopy: Structural investigation of buried Mn–Ga films

    Energy Technology Data Exchange (ETDEWEB)

    ViolBarbosa, Carlos E., E-mail: carlos.barbosa@cpfs.mpg.de; Ouardi, Siham; Fecher, Gerhard H., E-mail: fecher@cpfs.mpg.de; Felser, Claudia [Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden (Germany); Kubota, Takahide; Mizukami, Shigemi; Miyazaki, Terunobu [WPI Advanced Institute for Materials Research Tohoku University, Sendai 980-8577 (Japan); Ikenaga, Eiji [Japan Synchrotron Radiation Research Institute, SPring-8, Sayo, Hyogo 679-5198 (Japan)

    2015-02-02

    X-ray photoelectron diffraction (XPD) in combination with hard X-ray photoelectron spectroscopy (HAXPES) has been used to study the structure of buried layers in thin multilayer films. A detailed layer-by-layer investigation was performed using the element-specific, local-probe character of XPD. In the present work, angular-resolved HAXPES at a photon energy of 7.94 keV photon energy was used to investigate a Cr/Mn{sub 62}Ga{sub 38}/Mg/MgO multilayer system. Differences in the angular distributions of electrons emitted from Mn and Ga atoms revealed that the structure of Mn{sub 62}Ga{sub 38} changes from L1{sub 0} towards D0{sub 22} for increasing annealing temperatures. A c/a ratio of 1.81 ± 0.06 was determined for the buried Mn{sub 62}Ga{sub 38} layer in a D0{sub 22} structure from the XPD experiment. The improvement of the structural order of the Mn{sub 62}Ga{sub 38} layer is accompanied by an improvement of the structure of the overlying MgO layer.

  1. Forward scattering in hard X-ray photoelectron spectroscopy: Structural investigation of buried Mn–Ga films

    International Nuclear Information System (INIS)

    X-ray photoelectron diffraction (XPD) in combination with hard X-ray photoelectron spectroscopy (HAXPES) has been used to study the structure of buried layers in thin multilayer films. A detailed layer-by-layer investigation was performed using the element-specific, local-probe character of XPD. In the present work, angular-resolved HAXPES at a photon energy of 7.94 keV photon energy was used to investigate a Cr/Mn62Ga38/Mg/MgO multilayer system. Differences in the angular distributions of electrons emitted from Mn and Ga atoms revealed that the structure of Mn62Ga38 changes from L10 towards D022 for increasing annealing temperatures. A c/a ratio of 1.81 ± 0.06 was determined for the buried Mn62Ga38 layer in a D022 structure from the XPD experiment. The improvement of the structural order of the Mn62Ga38 layer is accompanied by an improvement of the structure of the overlying MgO layer

  2. Direct Experimental Observation of the Low Ionization Potentials of Guanine in Free Oligonucleotides by Using Photoelectron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xin; Wang, Xue B.; Vorpagel, Erich R.; Wang, Lai S.

    2004-12-21

    Photodetachment photoelectron spectroscopy is used to probe the electronic structure of mono-, di-, and trinucleotide anions in the gas phase. A weak and well defined threshold band was observed in the photoelectron spectrum of 2' -deoxyguanosine 5' -mono-phosphate at a much lower ionization energy than the other three mononucleotides. Density function theory calculations revealed that this unique spectral feature is caused by electron-detachment from a ? orbital of the guanine base on 2? ?deoxyguanosine 5? ?monophosphate, whereas the lowest ionization channel for the other three mononucleotides takes place from the phosphate group. This low-energy feature was shown to be a ?fingerprint? in all the spectra of dinucleotides and trinucleotides that contain the guanine base. The current experiment provides direct spectroscopic evidence that the guanine base is the site with the lowest ionization potential in oligonucleotides and DNA and is consistent with the fact that guanine is most susceptible to oxidation to give the guanine cation in DNA damage.

  3. Difluorocarbene studied with threshold photoelectron spectroscopy (TPES): measurement of the first adiabatic ionization energy (AIE) of CF(2).

    Science.gov (United States)

    Innocenti, Fabrizio; Eypper, Marie; Lee, Edmond P F; Stranges, Stefano; Mok, Daniel K W; Chau, Foo-tim; King, George C; Dyke, John M

    2008-01-01

    The first photoelectron band of difluorocarbene CF(2), has been studied by threshold photoelectron (TPE) spectroscopy. CF(2) was prepared by microwave discharge of a flowing mixture of hexafluoropropene, C(3)F(6), and argon. A vibrationally resolved band was observed in which at least twenty-two components were observed. In the first PE band of CF(2), the adiabatic ionization energy differs significantly from the vertical ionization energy because, for the ionization CF(2) (+) (X(2)A(1))+e(-) CF(2) (X(1)A(1)), there is an increase in the FCF bond angle (by approximately 20 degrees ) and a decrease in the C--F bond length (by approximately 0.7 A). The adiabatic component was not observed in the experimental TPE spectrum. However, on comparing this spectrum with an ab initio/Franck-Condon simulation of this band, using results from high-level ab initio calculations, the structure associated with the vibrational components could be assigned. This led to alignment of the experimental TPE spectrum and the computed Franck-Condon envelope, and a determination of the first adiabatic ionization energy of CF(2) as (11.362+/-0.005) eV. From the assignment of the vibrational structure, values were obtained for the harmonic and fundamental frequencies of the symmetric stretching mode (nu(1)') and symmetric bending mode (nu(2)') in CF(2) (+) (X(2)A(1)). PMID:19006171

  4. Photoelectron spectroscopy of hexachloroplatinate-nucleobase complexes: Nucleobase excited state decay observed via delayed electron emission

    International Nuclear Information System (INIS)

    We report low-temperature photoelectron spectra of isolated gas-phase complexes of the hexachloroplatinate dianion bound to the nucleobases uracil, thymine, cytosine, and adenine. The spectra display well-resolved, distinct peaks that are consistent with complexes where the hexachloroplatinate dianion is largely intact. Adiabatic electron detachment energies for the hexachloroplatinate-nucleobase complexes are measured as 2.26-2.36 eV. The magnitudes of the repulsive Coulomb barriers (RCBs) of the complexes are all ∼1.7 eV, values that are lower than the RCB of the uncomplexed PtCl62− dianion as a result of charge solvation by the nucleobases. In addition to the resolved spectral features, broad featureless bands indicative of delayed electron detachment are observed in the 193 nm photoelectron spectra of the four clusters. The 266 nm spectra of the PtCl62− ⋅ thymine and PtCl62− ⋅ adenine complexes also display very prominent delayed electron emission bands. These results mirror recent results on the related Pt(CN)42− ⋅ nucleobase complexes [A. Sen et al., J. Phys. Chem. B 119, 11626 (2015)]. The observation of delayed electron emission bands in the PtCl62− ⋅ nucleobase spectra obtained in this work, as for the previously studied Pt(CN)42− ⋅ nucleobase complexes, is attributed to one-photon excitation of nucleobase-centred excited states that can effectively couple to the electron detachment continuum, producing strong electron detachment. Moreover, the selective, strong excitation of the delayed emission bands in the 266 nm spectra is linked to fundamental differences in the individual nucleobase photophysics at this excitation energy. This strongly supports our previous suggestion that the dianion within these clusters can be viewed as a “dynamic tag” which has the propensity to emit electrons when the attached nucleobase decays over a time scale long enough to allow autodetachment

  5. Photoelectron Spectroscopy of Hexachloroplatinate-Nucleobase Complexes: Nucleobase Excited State Decay Observed via Delayed Electron Emission

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Ananya; Matthews, Edward M.; Hou, Gao-Lei; Wang, Xue B.; Dessent, Caroline

    2015-11-14

    We report low-temperature photoelectron spectra of isolated gas-phase complexes of the hexachloroplatinate dianion bound to the nucleobases uracil, thymine, cytosine and adenine. The spectra display well-resolved, distinct peaks that are consistent with complexes where the hexachloroplatinate dianion is largely intact. Adiabatic electron detachment energies for the hexachloroplatinate-nucleobase complexes are measured as 2.26-2.36 eV. The magnitudes of the repulsive Coulomb barriers (RCBs) of the complexes are all ~1.7 eV, values that are lower than the RCB of the uncomplexed PtCl6 2- dianion as a result of charge solvation by the nucleobases. In addition to the resolved spectral features, broad featureless bands indicative of delayed electron detachment are observed in the 193 nm photoelectron spectra of the four clusters. The 266 nm spectra of the PtCl6 2-∙thymine and PtCl6 2-∙adenine complexes also display very prominent delayed electron emission bands. These results mirror recent results on the related Pt(CN)4 2-∙nucleobase complexes [Sen et al, J. Phys. Chem. B, 119, 11626, 2015]. The observation of delayed electron emission bands in the PtCl6 2-∙nucleobase spectra obtained in this work, as for the previously studied Pt(CN)4 2-∙nucleobase complexes, is attributed to onephoton excitation of nucleobase-centred excited states that can effectively couple to the electron detachment continuum, producing strong electron detachment. Moreover, the selective, strong excitation of the delayed emission bands in the 266 nm spectra is linked to fundamental differences in the individual nucleobase photophysics at this excitation energy. This strongly supports our previous suggestion that the dianion within these clusters can be viewed as a “dynamic tag” which has the propensity to emit electrons when the attached nucleobase decays over a timescale long enough to allow autodetachment.

  6. Elemental content of enamel and dentin after bleaching of teeth (a comparative study between laser-induced breakdown spectroscopy and x-ray photoelectron spectroscopy)

    International Nuclear Information System (INIS)

    The elemental content of the superficial and inner enamel as well as that of dentin was analyzed using laser-induced breakdown spectroscopy (LIBS) and x-ray photoelectron spectroscopy (XPS) of bleached and unbleached tooth specimens. It is thus clear from the spectral analysis using both the LIBS and XPS technique that elemental changes (though insignificant within the scopes of this study) of variable intensities do occur on the surface of the enamel and extend deeper to reach dentin. The results of the LIBS revealed a slight reduction in the calcium levels in the bleached compared to the control specimens in all the different bleaching groups and in both enamel and dentin. The good correlation found between the LIBS and XPS results demonstrates the possibility of LIBS technique for detection of minor loss in calcium and phosphorus in enamel and dentin.

  7. Elemental content of enamel and dentin after bleaching of teeth (a comparative study between laser-induced breakdown spectroscopy and x-ray photoelectron spectroscopy)

    Energy Technology Data Exchange (ETDEWEB)

    Imam, H. [National Institute of Laser Enhanced Sciences, NILES, Cairo University, Giza (Egypt); Ahmed, Doaa [Department of Restorative Sciences, Faculty of Dentistry, Alexandria University, Alexandria (Egypt); Eldakrouri, Ashraf [National Institute of Laser Enhanced Sciences, NILES, Cairo University, Giza (Egypt); Department of Optometry and Vision Science, College of Applied Medical Science, King Saud University, Riyadh (Saudi Arabia)

    2013-06-21

    The elemental content of the superficial and inner enamel as well as that of dentin was analyzed using laser-induced breakdown spectroscopy (LIBS) and x-ray photoelectron spectroscopy (XPS) of bleached and unbleached tooth specimens. It is thus clear from the spectral analysis using both the LIBS and XPS technique that elemental changes (though insignificant within the scopes of this study) of variable intensities do occur on the surface of the enamel and extend deeper to reach dentin. The results of the LIBS revealed a slight reduction in the calcium levels in the bleached compared to the control specimens in all the different bleaching groups and in both enamel and dentin. The good correlation found between the LIBS and XPS results demonstrates the possibility of LIBS technique for detection of minor loss in calcium and phosphorus in enamel and dentin.

  8. X-ray photoelectron spectroscopy of pulsed laser deposited Pb(Zr,Ti)O{sub 3-{delta}}

    Energy Technology Data Exchange (ETDEWEB)

    Dragoi, Cristina; Gheorghe, Nicoleta G.; Lungu, George A.; Trupina, Lucian; Ibanescu, Andra G.; Teodorescu, Cristian M. [National Institute of Materials Physics, Magurele-Ilfov (Romania)

    2012-06-15

    High quality pulsed laser deposited lead zirconate titanate (PZT) films are obtained by pulsed laser deposition on SrRuO{sub 3}(111) single crystal layers and characterized by X-ray photoelectron spectroscopy (XPS), to determine the surface composition. It is found that a minor amount of Pb forms PbO{sub 2} at the surface and also some Pb is included into the contamination layer, in form of a Pb(CO{sub 3}){sub 2} layer of about 1 nm thickness, occupying about one quarter of the PZT surface. The stoichiometry of the outermost 4-5 nm layers yielded as PbZr{sub 0.25}Ti{sub 0.80}O{sub 2.5}, which suggest the formation of an oxygen depleted, Brownmillerite-like layer at the surface, of at least 5 nm thickness. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Adsorption of ethylene on Sn and In terminated Si(001) surface studied by photoelectron spectroscopy and scanning tunneling microscopy.

    Science.gov (United States)

    Zimmermann, Petr; Sobotík, Pavel; Kocán, Pavel; Ošt'ádal, Ivan; Vorokhta, Mykhailo; Acres, Robert George; Matolín, Vladimír

    2016-09-01

    Interaction of ethylene (C2H4) with Si(001)-Sn-2 × 2 and Si(001)-In-2 × 2 at room temperature has been studied using core level (C 1s) X-ray photoelectron spectroscopy with synchrotron radiation and scanning tunneling microscopy. Sn and In form similar dimer chains on Si(001)2 × 1, but exhibit different interaction with ethylene. While ethylene adsorbs on top of Sn dimers of the Si(001)-Sn-2 × 2 surface, the Si(001)-In-2 × 2 surface turned out to be inert. Furthermore, the reactivity of the Sn terminated surface is found to be considerably decreased in comparison with Si(001)2 × 1. According to the proposed adsorption model ethylene bonds to Sn dimers via [2 + 2] cycloaddition by interacting with their π dimer bonds. In contrast, indium dimers do not contain π bonds, which renders the In terminated Si(001) surface inert for ethylene adsorption.

  10. Structure of Se-rich As-Se glasses by high-resolution x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    To establish the validity of various proposed structural models, we have investigated the structure of the binary AsxSe100-x chalcogenide glass family (x≤40) by high-resolution x-ray photoelectron spectroscopy. From the composition dependence of the valence band, the contributions to the density of states from the 4p lone pair electrons of Se and the 4p bonding states and 4s electrons of Se and As are identified in the top part of the band. The analysis of Se 3d and As 3d core-level spectra supports the so-called chain crossing model for the atomic structure of Se-rich AsxSe100-x bulk glasses. The results also indicate small deviations (∼3-8%) from this model, especially for glass compositions with short Se chains (2540Se60 and of Se-Se-Se fragments in a glass with composition x=30 is established

  11. Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    The surface chemical composition of dental enamel has been postulated as a contributing factor in the variation of bond strength of brackets bonded to teeth, and hence, the probability of bracket failure during orthodontic treatment. This study systematically investigated the chemical composition of 98 bonding surfaces of human maxillary premolars using X-ray photoelectron spectroscopy (XPS) to ascertain compositional differences between right and left first premolars. The major elements detected in all samples were calcium, phosphorus, oxygen, nitrogen and carbon. Surface compositions were highly variable between samples and several elements were found to be highly correlated. No statistical significant difference in the chemical composition of the maxillary right and left first premolars was found (p > 0.05). Knowledge of the chemical composition of enamel surfaces will facilitate future studies that relate this information to the variations in dental enamel bond strength

  12. Analysis of X-Ray Photoelectron Spectroscopy of Polymethyl Methacrylate Etched by a KrF Excimer Laser

    Institute of Scientific and Technical Information of China (English)

    ZHU Xiao-Li; LIU Shi-Bing; CHEN Tao; JIANG Yi-Jian; ZUO Tie-Chuan

    2005-01-01

    @@ The C1s and O 1s electrons in polymethyl methacrylate etched by different incident laser intensities are analysed by x-ray photoelectron spectroscopy. The results show that when the incident laser fluence increases gradually,the percentage of carbon atoms in C-C bonds decreases while the one in carbonyl group (C=O) and alkoxy group (C-O) increases, and the percentage of oxygen atoms in C=O bonds increases while the one in C-O bonds decreases. Based on the analysis of the chemical structure, the energy level transition, energy diversion, and dissociation of bonds are theoretically examined, which is consistent with the experimental results.

  13. Employing X-ray Photoelectron Spectroscopy for Determining Layer Homogeneity in Mixed Polar Self-Assembled Monolayers

    Science.gov (United States)

    2016-01-01

    Self-assembled monolayers (SAMs) containing embedded dipolar groups offer the particular advantage of changing the electronic properties of a surface without affecting the SAM–ambient interface. Here we show that such systems can also be used for continuously tuning metal work functions by growing mixed monolayers consisting of molecules with different orientations of the embedded dipolar groups. To avoid injection hot-spots when using the SAM-modified electrodes in devices, a homogeneous mixing of the two components is crucial. We show that a combination of high-resolution X-ray photoelectron spectroscopy with state-of-the-art simulations is an ideal tool for probing the electrostatic homogeneity of the layers and thus for determining phase separation processes in polar adsorbate assemblies down to inhomogeneities at the molecular level. PMID:27429041

  14. Austenitic and duplex stainless steels in simulated physiological solution characterized by electrochemical and X-ray photoelectron spectroscopy studies.

    Science.gov (United States)

    Kocijan, Aleksandra; Conradi, Marjetka; Schön, Peter M

    2012-04-01

    A study of oxide layers grown on 2205 duplex stainless steel (DSS) and AISI 316L austenitic stainless steel in simulated physiological solution is presented here in order to establish the possibility of replacement of AISI 316 L with 2205 DSS in biomedical applications. The results of the potentiodynamic measurements show that the extent of the passive range significantly increased for DSS 2205 compared to AISI 316L stainless steel. Cyclic voltammetry was used to investigate electrochemical processes taking place on the steel surfaces. Oxide layers formed by electrochemical oxidation at different oxidation potentials were studied by X-ray photoelectron spectroscopy, and their compositions were analyzed as a function of depth. The main constituents on both the investigated materials were Cr- and Fe-oxides. Atomic force microscopy topography studies revealed the higher corrosion resistance of the DSS 2205 compared to the AISI 316L under the chosen experimental conditions. PMID:22331841

  15. Band alignment of TiO2/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

    International Nuclear Information System (INIS)

    The energy band alignment between pulsed-laser-deposited TiO2 and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO) of 0.61 eV and a conduction band offset (CBO) of 0.29 eV were obtained across the TiO2/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltage test has verified that the band alignment has a significant effect on the current transport of the heterojunction

  16. Electronic structure of Al- and Ga-doped ZnO films studied by hard X-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    M. Gabás

    2014-01-01

    Full Text Available Al- and Ga-doped sputtered ZnO films (AZO, GZO are semiconducting and metallic, respectively, despite the same electronic valence structure of the dopants. Using hard X-ray photoelectron spectroscopy we observe that both dopants induce a band in the electronic structure near the Fermi level, accompanied by a narrowing of the Zn 3d/O 2p gap in the valence band and, in the case of GZO, a substantial shift in the Zn 3d. Ga occupies substitutional sites, whereas Al dopants are in both substitutional and interstitial sites. The latter could induce O and Zn defects, which act as acceptors explaining the semiconducting character of AZO and the lack of variation in the optical gap. By contrast, mainly substitutional doping is consistent with the metallic-like behavior of GZO.

  17. Electronic structure of Al- and Ga-doped ZnO films studied by hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gabás, M.; Ramos Barrado, José R. [Lab. de Materiales and Superficies, Dpto. de Física Aplicada I, Universidad de Málaga, 29071 Málaga (Spain); Torelli, P. [Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste (Italy); Barrett, N. T. [CEA, DSM/IRAMIS/SPCSI, F-91191 Gif-sur-Yvette Cedex (France); Sacchi, M. [Synchrotron SOLEIL, BP 48, 91192 Gif-sur-Yvette, France and Institut des NanoSciences de Paris, UPMC Paris 06, CNRS UMR 7588, 4 Place Jussieu, 75005 Paris (France)

    2014-01-01

    Al- and Ga-doped sputtered ZnO films (AZO, GZO) are semiconducting and metallic, respectively, despite the same electronic valence structure of the dopants. Using hard X-ray photoelectron spectroscopy we observe that both dopants induce a band in the electronic structure near the Fermi level, accompanied by a narrowing of the Zn 3d/O 2p gap in the valence band and, in the case of GZO, a substantial shift in the Zn 3d. Ga occupies substitutional sites, whereas Al dopants are in both substitutional and interstitial sites. The latter could induce O and Zn defects, which act as acceptors explaining the semiconducting character of AZO and the lack of variation in the optical gap. By contrast, mainly substitutional doping is consistent with the metallic-like behavior of GZO.

  18. Band alignment of TiO2/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

    Directory of Open Access Journals (Sweden)

    Haibo Fan

    2016-01-01

    Full Text Available The energy band alignment between pulsed-laser-deposited TiO2 and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO of 0.61 eV and a conduction band offset (CBO of 0.29 eV were obtained across the TiO2/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltage test has verified that the band alignment has a significant effect on the current transport of the heterojunction.

  19. X-ray photoelectron spectroscopy as a probe of the interaction between rhodium acetate and ionic liquids

    Science.gov (United States)

    Men, Shuang; Jiang, Jing

    2016-02-01

    X-ray photoelectron spectroscopy (XPS) is used as a probe of the interaction between rhodium acetate ([Rh2(OAc)4]) and ionic liquids. Due to the impact of the anion of ionic liquids on the electronic environment of the rhodium centre, the measured Rh 3d binding energies of [Rh2(OAc)4] dissolved in a series of ionic liquids were found to decrease along with the increasing of the basicity of anions. The reduction of Rh(II) to Rh(0) in 1-octyl-3methylimidazolium acetate ([C8C1Im][OAc]) under UHV condition was monitored by XPS. The intensity of the new formed metallic Rh(0) peak was found increased along with time. The surface enrichment of the new formed Rh(0) species in the system was also concluded.

  20. Employing X-ray Photoelectron Spectroscopy for Determining Layer Homogeneity in Mixed Polar Self-Assembled Monolayers.

    Science.gov (United States)

    Hehn, Iris; Schuster, Swen; Wächter, Tobias; Abu-Husein, Tarek; Terfort, Andreas; Zharnikov, Michael; Zojer, Egbert

    2016-08-01

    Self-assembled monolayers (SAMs) containing embedded dipolar groups offer the particular advantage of changing the electronic properties of a surface without affecting the SAM-ambient interface. Here we show that such systems can also be used for continuously tuning metal work functions by growing mixed monolayers consisting of molecules with different orientations of the embedded dipolar groups. To avoid injection hot-spots when using the SAM-modified electrodes in devices, a homogeneous mixing of the two components is crucial. We show that a combination of high-resolution X-ray photoelectron spectroscopy with state-of-the-art simulations is an ideal tool for probing the electrostatic homogeneity of the layers and thus for determining phase separation processes in polar adsorbate assemblies down to inhomogeneities at the molecular level. PMID:27429041

  1. Surface Oxidative Characterization of LPE HgCdTe Epilayer Studied by X-ray Photoelectron Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    李毅; 易新建; 蔡丽萍

    2000-01-01

    The surface oxidative characterization of Liquid Phase Epitaxy (LPE) HgCdTe epilayer has been studied by X-ray Photoelectron Spectroscopy (XPS) and Scanning Electron Microscopy (SEM). HgCdTe surface is exposed by various processing steps. After measurement and analysis, we draw a conclusion that the native oxide film can be reduced and removed by the solution of lactic acid in ethylene glycol after being etched by bromine in absolute ethyl alcohol. The result shows the main optical and electrical parameters have not been changed after the treatment and the processing method given here can successfully remove the native oxides of LPE HgCdTe epilayer to obtain a clean surface. It indicates that the pre-treatment before HgCdTe surface passivation can affect the passivant/HgCdTe interface properties.

  2. Band alignment of TiO{sub 2}/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Haibo, E-mail: hbfan@nwu.edu.cn, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); School of Physics, Northwest University, Xi’an 710069 (China); Yang, Zhou; Ren, Xianpei; Gao, Fei [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Yin, Mingli [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); School of Science, Xi’an Technological University, Xi’an, Shaanxi 710062 (China); Liu, Shengzhong, E-mail: hbfan@nwu.edu.cn, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Dalian Institute of Chemical Physics, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian, 116023 (China)

    2016-01-15

    The energy band alignment between pulsed-laser-deposited TiO{sub 2} and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO) of 0.61 eV and a conduction band offset (CBO) of 0.29 eV were obtained across the TiO{sub 2}/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltage test has verified that the band alignment has a significant effect on the current transport of the heterojunction.

  3. X-ray Photoelectron Spectroscopy Study of Disordering in Gd2(Ti1-xZrx)2O7 Pyrochlores

    Science.gov (United States)

    Chen, J.; Lian, J.; Wang, L. M.; Ewing, R. C.; Wang, R. G.; Pan, W.

    2002-03-01

    The dramatic increases in ionic conductivity in Gd2(Ti1-xZrx)2O7 solid solution are related to disordering on the cation and anion lattices. Disordering in Gd2(Ti1-xZrx)2O7 was characterized using x-ray photoelectron spectroscopy (XPS). As Zr substitutes for Ti in Gd2Ti2O7 to form Gd2(Ti1-xZrx)2O7 (0.25

  4. Further insights into the photodegradation of poly(3-hexylthiophene) by means of X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Manceau, Matthieu [Clermont Universite, Universite Blaise Pascal, LPMM, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6505, LPMM, F-63177 Aubiere (France); CEA-Grenoble DRT/LITEN/DTS/LCS, INES-RDI, Laboratoire des Composants Solaires, 50 avenue du Lac Leman BP 332, 73377 Le Bourget Du Lac (France); Gaume, Julien; Rivaton, Agnes [Clermont Universite, Universite Blaise Pascal, LPMM, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6505, LPMM, F-63177 Aubiere (France); Gardette, Jean-Luc, E-mail: luc.gardette@univ-bpclermont.f [Clermont Universite, Universite Blaise Pascal, LPMM, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6505, LPMM, F-63177 Aubiere (France); Monier, Guillaume; Bideux, Luc [Clermont Universite, Universite Blaise Pascal, LASMEA, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, LASMEA, F-63177 Aubiere (France)

    2010-09-30

    X-ray photoelectron spectroscopy (XPS) was used to monitor the chemical changes resulting from irradiation (> 295 nm) in air of poly(3-hexylthiophene) (P3HT), polymer which is a good candidate for photovoltaic applications. The formation of carbonyl moieties and the stepwise oxidation of sulphur atoms were characterised. The oxidation and the cleavage of the hexyl side-chain was monitored. It is also shown that sulfur was first converted into sulfoxides, then into sulfones and finally into sulfinate esters. The formation of these ultimate degradation products provoked a disruption of {pi}-conjugation in P3HT, leading to diminished visible absorbance. Based on these results, a mechanism of P3HT photooxidation is proposed. Comparison of XPS data with previously reported infrared and UV-visible spectral analysis showed that the information provided by these techniques is completely consistent.

  5. X-ray photoelectron spectroscopy analysis of cleaning procedures for synchrotron radiation beamline materials at the Advanced Photon Source

    International Nuclear Information System (INIS)

    TZM (a high temperature molybdenum alloy), machinable tungsten, and 304 stainless steel were cleaned using environmentally safe, commercially available cleaning detergents. The surface cleanliness was evaluated by x-ray photoelectron spectroscopy (XPS). It was found that a simple alkaline detergent is very effective at removal of organic and inorganic surface contaminants or foreign particle residue from machining processes. The detergent can be used with ultrasonic agitation at 140 F to clean the TZM molybdenum, machinable tungsten, and 304 stainless steel. A citric-acid-based detergent was also found to be effective at cleaning metal oxides, such as iron oxide, molybdenum oxide, as well as tungsten oxides at mild temperatures with ultrasonic agitation, and it can be used to replace strong inorganic acids to improve cleaning safety and minimize waste disposal and other environmental problems. The efficiency of removing the metal oxides depends on both cleaning temperature and time

  6. Investigation of Ohmic mechanism for chlorine-treated p-type GaN using x-ray photoelectron spectroscopy

    Science.gov (United States)

    Chen, Po-Sung; Lee, Ching-Ting

    2006-08-01

    To investigate the function and mechanism of oxidation, the surface of the chlorine-treated p-type GaN semiconductor was analyzed using x-ray photoelectron spectroscopy. The chlorinated surface treatment was performed by electrolyzing HCl chemical solution to generate HClO, which in turn could be used to oxidize the p-type GaN. The chlorinated surface treatment enhances the formation of GaOx on the GaN surface and removing GaOx layer from the surface thereafter leads to the creation of additional Ga vacancies. Consequently, more holes are generated as a result of the generated Ga vacancies. Therefore, a relatively higher Ohmic performance with a specific contact resistance of 6.1×10-6Ωcm2 can be obtained for Ni /Au metal contact subsequently patterned on the chlorine-treated p-type GaN via the enhanced formation of GaOx.

  7. Adsorption of ethylene on Sn and In terminated Si(001) surface studied by photoelectron spectroscopy and scanning tunneling microscopy

    Science.gov (United States)

    Zimmermann, Petr; Sobotík, Pavel; Kocán, Pavel; Ošt'ádal, Ivan; Vorokhta, Mykhailo; Acres, Robert George; Matolín, Vladimír

    2016-09-01

    Interaction of ethylene (C2H4) with Si(001)-Sn-2 × 2 and Si(001)-In-2 × 2 at room temperature has been studied using core level (C 1s) X-ray photoelectron spectroscopy with synchrotron radiation and scanning tunneling microscopy. Sn and In form similar dimer chains on Si(001)2 × 1, but exhibit different interaction with ethylene. While ethylene adsorbs on top of Sn dimers of the Si(001)-Sn-2 × 2 surface, the Si(001)-In-2 × 2 surface turned out to be inert. Furthermore, the reactivity of the Sn terminated surface is found to be considerably decreased in comparison with Si(001)2 × 1. According to the proposed adsorption model ethylene bonds to Sn dimers via [2 + 2] cycloaddition by interacting with their π dimer bonds. In contrast, indium dimers do not contain π bonds, which renders the In terminated Si(001) surface inert for ethylene adsorption.

  8. Photoelectron spectroscopy of hexachloroplatinate-nucleobase complexes: Nucleobase excited state decay observed via delayed electron emission

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Ananya; Matthews, Edward M.; Dessent, Caroline E. H., E-mail: caroline.dessent@york.ac.uk, E-mail: xuebin.wang@pnnl.gov [Department of Chemistry, University of York, Heslington, York YO10 5DD (United Kingdom); Hou, Gao-Lei; Wang, Xue-Bin, E-mail: caroline.dessent@york.ac.uk, E-mail: xuebin.wang@pnnl.gov [Physical Sciences Division, Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, Washington 99352 (United States)

    2015-11-14

    We report low-temperature photoelectron spectra of isolated gas-phase complexes of the hexachloroplatinate dianion bound to the nucleobases uracil, thymine, cytosine, and adenine. The spectra display well-resolved, distinct peaks that are consistent with complexes where the hexachloroplatinate dianion is largely intact. Adiabatic electron detachment energies for the hexachloroplatinate-nucleobase complexes are measured as 2.26-2.36 eV. The magnitudes of the repulsive Coulomb barriers (RCBs) of the complexes are all ∼1.7 eV, values that are lower than the RCB of the uncomplexed PtCl{sub 6}{sup 2−} dianion as a result of charge solvation by the nucleobases. In addition to the resolved spectral features, broad featureless bands indicative of delayed electron detachment are observed in the 193 nm photoelectron spectra of the four clusters. The 266 nm spectra of the PtCl{sub 6}{sup 2−} ⋅ thymine and PtCl{sub 6}{sup 2−} ⋅ adenine complexes also display very prominent delayed electron emission bands. These results mirror recent results on the related Pt(CN){sub 4}{sup 2−} ⋅ nucleobase complexes [A. Sen et al., J. Phys. Chem. B 119, 11626 (2015)]. The observation of delayed electron emission bands in the PtCl{sub 6}{sup 2−} ⋅ nucleobase spectra obtained in this work, as for the previously studied Pt(CN){sub 4}{sup 2−} ⋅ nucleobase complexes, is attributed to one-photon excitation of nucleobase-centred excited states that can effectively couple to the electron detachment continuum, producing strong electron detachment. Moreover, the selective, strong excitation of the delayed emission bands in the 266 nm spectra is linked to fundamental differences in the individual nucleobase photophysics at this excitation energy. This strongly supports our previous suggestion that the dianion within these clusters can be viewed as a “dynamic tag” which has the propensity to emit electrons when the attached nucleobase decays over a time scale long enough to

  9. Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations

    Science.gov (United States)

    Jin, Yuanyuan; Lu, Shengjie; Hermann, Andreas; Kuang, Xiaoyu; Zhang, Chuanzhao; Lu, Cheng; Xu, Hongguang; Zheng, Weijun

    2016-07-01

    We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGen‑ (n = 3–12), and their corresponding neutral species. Photoelectron spectra of RuGen‑ clusters are measured at 266 nm. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) are obtained. Unbiased CALYPSO structure searches confirm the low-lying structures of anionic and neutral ruthenium doped germanium clusters in the size range of 3 ≤ n ≤ 12. Subsequent geometry optimizations using density functional theory (DFT) at PW91/LANL2DZ level are carried out to determine the relative stability and electronic properties of ruthenium doped germanium clusters. It is found that most of the anionic and neutral clusters have very similar global features. Although the global minimum structures of the anionic and neutral clusters are different, their respective geometries are observed as the low-lying isomers in either case. In addition, for n > 8, the Ru atom in RuGen‑/0 clusters is absorbed endohedrally in the Ge cage. The theoretically predicted vertical and adiabatic detachment energies are in good agreement with the experimental measurements. The excellent agreement between DFT calculations and experiment enables a comprehensive evaluation of the geometrical and electronic structures of ruthenium doped germanium clusters.

  10. Non-adiabatic and time-resolved photoelectron spectroscopy for molecular systems

    CERN Document Server

    Flick, Johannes; Rubio, Angel

    2014-01-01

    We quantify the non-adiabatic contributions to the vibronic sidebands of equilibrium and explicitly time-resolved non-equilibrium photoelectron spectra for a vibronic model system of Trans-Polyacetylene. Using exact diagonalization, we directly evaluate the sum-over-states expressions for the linear-response photocurrent. We show that spurious peaks appear in the Born-Oppenheimer approximation for the vibronic spectral function, which are not present in the exact spectral function of the system. The effect can be traced back to the factorized nature of the Born-Oppenheimer initial and final photoemission states and also persists when either only initial, or final states are replaced by correlated vibronic states. Only when correlated initial and final vibronic states are taken into account, the spurious spectral weights of the Born-Oppenheimer approximation are suppressed. In the non-equilibrium case, we illustrate for an initial Franck-Condon excitation and an explicit pump-pulse excitation how the vibronic ...

  11. Silica-supported silicotungstic acid: A study by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Berry, Frank J.; Derrick, Glyn R. [Department of Chemistry and Analytical Sciences, Robert Hooke Building, Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom); Marco, Jose F. [Instituto de Quimica -Fisica ' Rocasolano' , Consejo Superior de Investigaciones Cientificas, Serrano 119, 28006 Madrid (Spain); Mortimer, Michael [Department of Chemistry and Analytical Sciences, Robert Hooke Building, Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom)], E-mail: m.mortimer@open.ac.uk

    2009-04-15

    W 4f and O 1s X-ray photoelectron spectra for silicotungstic acid, H{sub 4}SiW{sub 12}O{sub 40}, in pure and silica-supported form are reported. W 4f XP spectra for the supported acid are analysed in terms of contributions from two W(VI) spin-orbit doublets arising from tungsten atoms in terminal W=O bonds some of which directly interact with the silica surface. At low loading (3.2 wt.%) significant changes in the relative contributions and binding energies of the two spin-orbit doublets are taken as evidence of a strong interaction of individual [SiW{sub 12}O{sub 40}]{sup 4-} anions with highly active sites on the silica surface. It is suggested that selective ordering of silanol groups can occur on the silica surface in order to accommodate the adsorption of individual [SiW{sub 12}O{sub 40}]{sup 4-} anions.

  12. Pyrolysis of 3-Methoxypyridine. Detection and Characterization of the Pyrrolyl Radical by Threshold Photoelectron Spectroscopy.

    Science.gov (United States)

    Holzmeier, Fabian; Wagner, Isabella; Fischer, Ingo; Bodi, Andras; Hemberger, Patrick

    2016-07-14

    Pyrolysis of 3-methoxypyridine in a heated pyrolysis reactor was found to be an efficient way to generate the pyrrolyl radical, c-C4H4N, in the gas phase. The threshold photoelectron (TPE) spectrum of this radical was recorded using vacuum ultraviolet synchrotron radiation. The spectrum revealed a singlet ground state at 9.11 ± 0.02 eV (X̃(+ 1)A) and an excited triplet state (ã(+ 3)A) at 9.43 ± 0.05 eV. Vibrational structure was observed for both cationic states and could be assigned to ring deformation modes. Furthermore, (E)- and (Z)-1-cyanoallyl radicals were found to contribute to the TPE spectrum below 8.9 eV. In addition, we have identified two parallel decomposition channels of the pyrrolyl radical, yielding either hydrogen cyanide and propargyl radical or acetylene and cyanomethyl radical. The reaction energy profiles have also been calculated for these reactions. In addition, the dissociative photoionization of the precursor 3-methoxypyridine is reported. PMID:26698131

  13. Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations

    Science.gov (United States)

    Jin, Yuanyuan; Lu, Shengjie; Hermann, Andreas; Kuang, Xiaoyu; Zhang, Chuanzhao; Lu, Cheng; Xu, Hongguang; Zheng, Weijun

    2016-01-01

    We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGen− (n = 3–12), and their corresponding neutral species. Photoelectron spectra of RuGen− clusters are measured at 266 nm. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) are obtained. Unbiased CALYPSO structure searches confirm the low-lying structures of anionic and neutral ruthenium doped germanium clusters in the size range of 3 ≤ n ≤ 12. Subsequent geometry optimizations using density functional theory (DFT) at PW91/LANL2DZ level are carried out to determine the relative stability and electronic properties of ruthenium doped germanium clusters. It is found that most of the anionic and neutral clusters have very similar global features. Although the global minimum structures of the anionic and neutral clusters are different, their respective geometries are observed as the low-lying isomers in either case. In addition, for n > 8, the Ru atom in RuGen−/0 clusters is absorbed endohedrally in the Ge cage. The theoretically predicted vertical and adiabatic detachment energies are in good agreement with the experimental measurements. The excellent agreement between DFT calculations and experiment enables a comprehensive evaluation of the geometrical and electronic structures of ruthenium doped germanium clusters. PMID:27439955

  14. X-ray photoelectron spectroscopy (XPS) investigation of the surface film on magnesium powders.

    Science.gov (United States)

    Burke, Paul J; Bayindir, Zeynel; Kipouros, Georges J

    2012-05-01

    Magnesium (Mg) and its alloys are attractive for use in automotive and aerospace applications because of their low density and good mechanical properties. However, difficulty in forming magnesium and the limited number of available commercial alloys limit their use. Powder metallurgy may be a suitable solution for forming near-net-shape parts. However, sintering pure magnesium presents difficulties due to surface film that forms on the magnesium powder particles. The present work investigates the composition of the surface film that forms on the surface of pure magnesium powders exposed to atmospheric conditions and on pure magnesium powders after compaction under uniaxial pressing at a pressure of 500 MPa and sintering under argon at 600 °C for 40 minutes. Initially, focused ion beam microscopy was utilized to determine the thickness of the surface layer of the magnesium powder and found it to be ~10 nm. The X-ray photoelectron analysis of the green magnesium sample prior to sintering confirmed the presence of MgO, MgCO(3)·3H(2)O, and Mg(OH)(2) in the surface layer of the powder with a core of pure magnesium. The outer portion of the surface layer was found to contain MgCO(3)·3H(2)O and Mg(OH)(2), while the inner portion of the layer is primarily MgO. After sintering, the MgCO(3)·3H(2)O was found to be almost completely absent, and the amount of Mg(OH)(2) was also decreased significantly. This is postulated to occur by decomposition of the compounds to MgO and gases during the high temperature of sintering. An increase in the MgO content after sintering supports this theory. PMID:22524956

  15. X-ray Photoelectron Spectroscopy characterization of native and RCA-treated Si (111) substrates and their influence on surface chemistry of copper phthalocyanine thin films

    Energy Technology Data Exchange (ETDEWEB)

    Krzywiecki, M., E-mail: maciej.krzywiecki@polsl.p [Institute of Physics, Silesian University of Technology, 44-100 Gliwice (Poland); Grzadziel, L. [Institute of Physics, Silesian University of Technology, 44-100 Gliwice (Poland); Peisert, H.; Biswas, I.; Chasse, T. [Institute of Physical and Theoretical Chemistry, University of Tuebingen, D-72076 Tuebingen (Germany); Szuber, J. [Institute of Electronics, Silesian University of Technology, 44-100 Gliwice (Poland)

    2010-03-01

    In this paper native and RCA-treated n- and p-doped Si(111) substrates and ultra-thin 16-nm copper phthalocyanine (CuPc) layers deposited thereon were investigated using X-ray Photoemission Spectroscopy and Angle-Resolved X-ray Photoemission Spectroscopy. The oxide layer thickness was determined to be 1.3 nm on the RCA-treated substrates and 0.8 nm on the native ones. The analysis of substrate carbon contamination showed the existence of C-H, C-OH and COOH components on all substrates. The RCA clean removes more readily the carbon components with the OH group from the n-type Si and causes the segregation of the contaminants. The initial carbon species propagate in the evaporated CuPc layer up to a thickness of about 5 nm affecting the shape of the C1s peak. Additionally, the behavior of the binding energy difference between N1s and Si2p peaks upon the CuPc growth shows that there may occur various CuPc molecule adsorption modes on investigated Si substrates. It could be a useful information, from the technological point of view, especially for low dimensional electronic device preparation.

  16. ANALYSIS OF PASSIVATED SURFACES FOR MASS SPECTROMETER INLET SYSTEMS BY AUGER ELECTRON AND X-RAY PHOTOELECTRON SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Ajo, H.; Clark, E.

    2010-09-01

    Stainless steel coupons approximately 0.5' in diameter and 0.125' thick were passivated with five different surface treatments and an untreated coupon was left as a control. These surface treatments are being explored for use in tritium storage containers. These coupons were made to allow surface analysis of the surface treatments using well-know surface analysis techniques. Depth profiles using Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS) were performed on these coupons to characterize the surface and near surface regions. Scanning electron microscope (SEM) images were collected as well. All of the surface treatments studied here appear to change the surface morphology dramatically, as evidenced by lack of tool marks on the treated samples. In terms of the passivation treatment, Vendors A-D appeared to have oxide layers that were very similar in thickness to each other (0.7-0.9 nm thick) as well as the untreated samples (the untreated sample oxide layers appeared to be somewhat larger). Vendor E's silicon coating appears to be on the order of 200 nm thick.

  17. Depth profiling the solid electrolyte interphase on lithium titanate (Li4Ti5O12) using synchrotron-based photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Nordh, Tim; Younesi, Reza; Brandell, Daniel;

    2015-01-01

    The presence of a surface layer on lithium titanate (Li4Ti5O12, LTO) anodes, which has been a topic of debate in scientific literature, is here investigated with tunable high surface sensitive synchrotron-based photoelectron spectroscopy (PES) to obtain a reliable depth profile of the interphase...

  18. X-Ray Photoelectron Spectroscopy Study of the Effect of Hydrocarbon Contamination on Poly(Tetrafluoroethylene) Exposed to a Nitrogen Plasma

    Science.gov (United States)

    Golub, Morton A.; Lopata, Eugene S.; Finney, Lorie S.

    1993-01-01

    It has been shown that unless the surface of poly(tetrafluoroethylene)(PTFE) is free of hydrocarbon contamination, anomalous changes in the oxygen and fluorine contents, as measured by X-ray photoelectron spectroscopy (XPS), and hence also the surface properties, may be improperly ascribed to a PTFE film exposed to a oxygen plasma.

  19. An X-ray photoelectron spectroscopy study of the acidity of SiO{sub 2}-ZrO{sub 2} mixed oxides

    Energy Technology Data Exchange (ETDEWEB)

    Bosman, H.J.M.; Pijpers, A.P.; Jaspers, A.W.M.A. [DSM Research B.V., MD Geleen (Netherlands)

    1996-07-01

    X-ray photoelectron spectroscopy (XPS) of SiO{sub 2}-ZrO{sub 2} mixed oxides was studied. Surface acidity was investigated in light of the relationship between acidity and catalytic effects. 28 refs., 12 figs., 3 tabs.

  20. Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Guorong [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Neville, Simon P.; Worth, Graham A., E-mail: g.a.worth@bham.ac.uk [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Schalk, Oliver [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Physics, AlbaNova University Center, Stockholm University, Roslagstullsbacken 21, 109 61 Stockholm (Sweden); Sekikawa, Taro [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Applied Physics, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Ashfold, Michael N. R. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Stolow, Albert, E-mail: astolow@uottawa.ca [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Departments of Chemistry and Physics, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada)

    2015-02-21

    The dynamics of pyrrole excited at wavelengths in the range 242-217 nm are studied using a combination of time-resolved photoelectron spectroscopy and wavepacket propagations performed using the multi-configurational time-dependent Hartree method. Excitation close to the origin of pyrrole’s electronic spectrum, at 242 and 236 nm, is found to result in an ultrafast decay of the system from the ionization window on a single timescale of less than 20 fs. This behaviour is explained fully by assuming the system to be excited to the A{sub 2}(πσ{sup ∗}) state, in accord with previous experimental and theoretical studies. Excitation at shorter wavelengths has previously been assumed to result predominantly in population of the bright A{sub 1}(ππ{sup ∗}) and B{sub 2}(ππ{sup ∗}) states. We here present time-resolved photoelectron spectra at a pump wavelength of 217 nm alongside detailed quantum dynamics calculations that, together with a recent reinterpretation of pyrrole’s electronic spectrum [S. P. Neville and G. A. Worth, J. Chem. Phys. 140, 034317 (2014)], suggest that population of the B{sub 1}(πσ{sup ∗}) state (hitherto assumed to be optically dark) may occur directly when pyrrole is excited at energies in the near UV part of its electronic spectrum. The B{sub 1}(πσ{sup ∗}) state is found to decay on a timescale of less than 20 fs by both N-H dissociation and internal conversion to the A{sub 2}(πσ{sup ∗}) state.

  1. Probing the Vibrational Spectroscopy of the Deprotonated Thymine Radical by Photodetachment and State-Selective Autodetachment Photoelectron Spectroscopy via Dipole-Bound States

    Science.gov (United States)

    Huang, Dao-Ling; Zhu, Guo-Zhu; Wang, Lai-Sheng

    2016-06-01

    Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]^- or N3[T-H]^-. Here we report a photodetachment study of the N1[T-H]^- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 238 ± 5 wn below the detachment threshold of N1[T-H]^-. The electron affinity of the deprotonated thymine radical (N1[T-H]^.) is measured accruately to be 26 322 ± 5 wn (3.2635 ± 0.0006 eV). By tuning the detachment laser to the sixteen vibrational levels of the dipole-bound state that are above the detachment threshold, highly non-Franck-Condon resonant-enhanced photoelectron spectra are obtained due to state- and mode-selective vibrational autodetachment. Much richer vibrational information is obtained for the deprotonated thymine radical from the photodetachment and resonant-enhanced photoelectron spectroscopy. Eleven fundamental vibrational frequencies in the low-frequency regime are obtained for the N1[T-H]^. radical, including the two lowest-frequency internal rotational modes of the methyl group at 70 ± 8 wn and 92 ± 5 wn. D. L. Huang, H. T. Liu, C. G. Ning, G. Z. Zhu and L. S. Wang, Chem. Sci., 6, 3129-3138 (2015)

  2. Imaging the wave functions of adsorbed molecules using angle-resolved photoemmision data

    Science.gov (United States)

    Lüftner, Daniel; Ules, Thomas; Reinisch, Eva Maria; Koller, Georg; Soubatch, Serguei; Tautz, F. Stefan; Ramsey, Michael G.; Puschnig, Peter

    2014-03-01

    The frontier electronic orbitals of molecules are the prime determinants of the respective compounds' chemical, electronic, and optical properties. Although orbitals are very powerful concepts, experimentally only the electron densities and energy levels are directly observable. As has been shown in recent publications, angle-resolved photoemission (ARPES) intensity maps of organic molecular layers are related to the absolute value of the Fourier transform of the initial state molecular orbital. However, the lost phase information impedes the back-transformation of the orbital into real space. Here, we show how molecular orbital images as well as the absent phase information can be retrieved by applying an iterative procedure which takes experimental ARPES maps as input and only assumes spatial confinement of the orbital. The method is demonstrated for several molecular orbitals of two proto-typical pi-conjugated molecules: the LUMO, HOMO, and HOMO-1 of pentacene, and the LUMO and HOMO of PTCDA. The technique is simple and robust and further emphasizes the capabilities of ARPES looking at spatial distributions of wave functions of adsorbed molecules thereby complementing data obtained from scanning probe methods.

  3. A flexible setup for angle-resolved X-ray fluorescence spectrometry with laboratory sources.

    Science.gov (United States)

    Spanier, M; Herzog, C; Grötzsch, D; Kramer, F; Mantouvalou, I; Lubeck, J; Weser, J; Streeck, C; Malzer, W; Beckhoff, B; Kanngießer, B

    2016-03-01

    X-ray fluorescence (XRF) analysis is one of the standard tools for the analysis of stratified materials and is widely applied for the investigation of electronics and coatings. The composition and thickness of the layers can be determined quantitatively and non-destructively. Recent work showed that these capabilities can be extended towards retrieving stratigraphic information like concentration depth profiles using angle-resolved XRF (ARXRF). This paper introduces an experimental sample chamber which was developed as a multi-purpose tool enabling different measurement geometries suited for transmission measurements, conventional XRF, ARXRF, etc. The chamber was specifically designed for attaching all kinds of laboratory X-ray sources for the soft and hard X-ray ranges as well as various detection systems. In detail, a setup for ARXRF using an X-ray tube with a polycapillary X-ray lens as source is presented. For such a type of setup, both the spectral and lateral characterizations of the radiation field are crucial for quantitative ARXRF measurements. The characterization is validated with the help of a stratified validation sample. PMID:27036820

  4. Angle resolved XPS of monomolecular layer of 5-chlorobenzotriazole on oxidized metallic surface

    International Nuclear Information System (INIS)

    Highlights: ► Adsorption of 5-chloroBTA on oxidized metals is studied by ARXPS. ► When adsorbed, 5-chloroBTA forms a monolayer whose thickness is close to molecule size. ► According to ARXPS, the planes of 5-chloroBTA anions are vertical to a metal oxide surface. ► Metal cations of the surface coordinate nitrogen atoms of 5-chloroBTA. ► Chlorine atoms forming outmost virtual layer. - Abstract: Angle resolved XPS is used to study adsorption of 5-chlorobenzotriazole (5-chloroBTAH) on surfaces of the oxidized metals: mild steel, copper and zinc from borate buffer solution (pH 7.4). It is shown that for the metals studied the 5-chloroBTA anions, when adsorbed, form a monomolecular layer whose thickness is ∼6 Å comparable with the size of BTA. As XPS evidences adsorption proceeds with deprotonation of 5-chloroBTAH and formation of the coordination bonds between the lone pair of nitrogens and cation of a metal. Measuring XPS at two different angles unequivocally points out almost vertical arrangement of the anions toward the sample surface, when chlorine atoms form outmost virtual layer.

  5. A flexible setup for angle-resolved X-ray fluorescence spectrometry with laboratory sources

    Science.gov (United States)

    Spanier, M.; Herzog, C.; Grötzsch, D.; Kramer, F.; Mantouvalou, I.; Lubeck, J.; Weser, J.; Streeck, C.; Malzer, W.; Beckhoff, B.; Kanngießer, B.

    2016-03-01

    X-ray fluorescence (XRF) analysis is one of the standard tools for the analysis of stratified materials and is widely applied for the investigation of electronics and coatings. The composition and thickness of the layers can be determined quantitatively and non-destructively. Recent work showed that these capabilities can be extended towards retrieving stratigraphic information like concentration depth profiles using angle-resolved XRF (ARXRF). This paper introduces an experimental sample chamber which was developed as a multi-purpose tool enabling different measurement geometries suited for transmission measurements, conventional XRF, ARXRF, etc. The chamber was specifically designed for attaching all kinds of laboratory X-ray sources for the soft and hard X-ray ranges as well as various detection systems. In detail, a setup for ARXRF using an X-ray tube with a polycapillary X-ray lens as source is presented. For such a type of setup, both the spectral and lateral characterizations of the radiation field are crucial for quantitative ARXRF measurements. The characterization is validated with the help of a stratified validation sample.

  6. Gap anisotropy in Bi2Sr2CaCu2O8+δ by ultrahigh-resolution angle-resolved photoemission

    International Nuclear Information System (INIS)

    Ultrahigh-resolution (ΔE up to 10 meV) angle-resolved photoemission spectroscopy on single crystals of Bi2Sr2CaCu2O8+δ (Bi-2212) show a highly anisotropic superconducting energy gap: the gap is minimized, with a value close to zero, along the Γ-X and Γ-Y symmetry directions, while a large gap (Δ=22 meV) is observed along the Γ-bar M (Cu-O bond) direction. However, the observation of gap anisotropy may depend on sample conditions; in a few cases the gap becomes more isotropic. A dip in the spectral weight at 65 meV below the Fermi energy is clearly observed only in samples with an anisotropic gap

  7. Electronic structure of ReO3Me by variable photon energy photoelectron spectroscopy, absorption spectroscopy and density functional calculations.

    Science.gov (United States)

    de Simone, Monica; Coreno, Marcello; Green, Jennifer C; McGrady, Sean; Pritchard, Helen

    2003-03-24

    Valence photoelectron (PE) spectra have been measured for ReO(3)Me using a synchrotron source for photon energies ranging between 20 and 110 eV. Derived branching ratios (BR) and relative partial photoionization cross sections (RPPICS) are interpreted in the context of a bonding model calculated using density functional theory (DFT). Agreement between calculated and observed ionization energies (IE) is excellent. The 5d character of the orbitals correlates with the 5p --> 5d resonances of the associated RPPICS; these resonances commence around 47 eV. Bands with 5d character also show a RPPICS maximum at 35 eV. The RPPICS associated with the totally symmetric 4a(1) orbital, which has s-like character, shows an additional shape resonance with an onset of 43 eV. The PE spectrum of the inner valence and core region measured with photon energies of 108 and 210 eV shows ionization associated with C 2s, O 2s, and Re 4f and 5p electrons. Absorption spectra measured in the region of the O1s edge showed structure assignable to excitation to the low lying empty "d" orbitals of this d(0) molecule. The separation of the absorption bands corresponded with the calculated orbital splitting and their intensity with the calculated O 2p character. Broad bands associated with Re 4d absorption were assigned to (2)D(5/2) and (2)D(3/2) hole states. Structure was observed associated with the C1s edge but instrumental factors prevented firm assignment. At the Re 5p edge, structure was observed on the (2)P(3/2) absorption band resulting from excitation to the empty "d" levels. The intensity ratios differed from that of the O 1s edge structure but were in good agreement with the calculated 5d character of these orbitals. An absorption was observed at 45 eV, which, in the light of the resonance in the 4a(1) RPPICS, is assigned to a 4a(1) --> ne, na(2) transition. The electronic structure established for ReO(3)Me differs substantially from that of TiCl(3)Me and accounts for the difference in

  8. Photoelectron-Auger electron coincidence study for condensed matter

    Energy Technology Data Exchange (ETDEWEB)

    Stefani, G. [Department of Physics and Unita' INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy)]. E-mail: stefani@fis.uniroma3.it; Gotter, R. [National Laboratory TASC-INFM, Area Science Park, SS 14 Km 163.5, Basovizza, I-34012 Trieste (Italy); Ruocco, A. [Department of Physics and Unita INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Offi, F. [Department of Physics and Unita INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Pieve, F. Da [Department of Physics and Unita INFM, University Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Iacobucci, S. [IMIP-CNR Area della Ricerca di Roma, via Salaria Km 29, 3 Montelibretti (Italy); Morgante, A. [National Laboratory TASC-INFM, Area Science Park, SS 14 Km 163.5, Basovizza, I-34012 Trieste (Italy); Verdini, A. [National Laboratory TASC-INFM, Area Science Park, SS 14 Km 163.5, Basovizza, I-34012 Trieste (Italy); Liscio, A. [IMIP-CNR Area della Ricerca di Roma, via Salaria Km 29, 3 Montelibretti (Italy); Yao, H. [Department of Physics and Astronomy and Laboratory of Surface Modification, Rutgers University, 136 Frelinghuysen Road, Piscataway, NJ 08855 (United States); Bartynski, R.A. [Department of Physics and Astronomy and Laboratory of Surface Modification, Rutgers University, 136 Frelinghuysen Road, Piscataway, NJ 08855 (United States)

    2004-12-01

    Advances in materials science have produced a wide array of new solid-state systems with tunable properties and previously unattainable combinations of phenomena that hold the promise of entirely new approaches to technological applications. Invariably, these new materials are increasingly complex and include a large number of constituents in a variety of chemical states. Entirely new theoretical and experimental approaches are needed to gain the insights necessary for intelligent engineering of these materials. In the past 20 years, a steadily increasing number of electron-electron coincidence experiments on atoms and molecules have demonstrated the capability of investigating complicated systems with sensitivity and specificity well beyond the limits imposed by conventional electron spectroscopies. Over the past decade or so, Auger-photoelectron coincidence spectroscopy (APECS) has emerged as a powerful technique for obtaining detailed information about complex materials systems. Moreover, the recent advent of angle-resolved (AR)-APECS has introduced a new level of discrimination in studying the distribution of electrons photoemitted from complex systems. In this review, we describe the basic ideas behind APECS and discuss a study of the SiO{sub 2} system as an example of the unique information this technique can provide. We then introduce the concept of AR-APECS, explain its novel state and angular momentum selectivity that can be used to disentangle information about complex systems that is hidden to conventional spectroscopies. Examples of AR-APECS measurements from Cu, Ge, and graphite that exemplify the capabilities of this technique are presented.

  9. X-ray photoelectron spectroscopy (XPS) and FTIR studies of vanadium barium phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Majjane, Abdelilah [Laboratoire de Physico-Chimie des Matériaux Vitreux et Cristallisés, Université Ibn Tofail, Faculté des Sciences, Kénitra 14090 (Morocco); Chahine, Abdelkrim, E-mail: abdelkrimchahine@gmail.com [Laboratoire de Physico-Chimie des Matériaux Vitreux et Cristallisés, Université Ibn Tofail, Faculté des Sciences, Kénitra 14090 (Morocco); Et-tabirou, Mohamed [Laboratoire de Physico-Chimie des Matériaux Vitreux et Cristallisés, Université Ibn Tofail, Faculté des Sciences, Kénitra 14090 (Morocco); Echchahed, Bousselham [Laboratoire d' Electrochimie, Corrosion et Environnement, Université Ibn Tofail, Faculté des Sciences, Kénitra (Morocco); Do, Trong-On [Département de génie chimique, Université Laval, G1K 7P4 (Canada); Breen, Peter Mc [Département de chimie, Université Laval, G1K 7P4 (Canada)

    2014-01-15

    Barium vanadophosphate glasses, having composition 50BaO–xV{sub 2}O{sub 5}–(50 − x)P{sub 2}O{sub 5}, (x = 0–50 mol%), were prepared by conventional melt quench method. Density, molar volume and glass transition temperature (T{sub g}) were measured as a function of V{sub 2}O{sub 5} content. Structural investigation was done using XPS and FTIR spectroscopy. First, substitution of the P{sub 2}O{sub 5} by the V{sub 2}O{sub 5} in the metaphosphate 50BaO–50P{sub 2}O{sub 5} glass increases the density and T{sub g} and decreases the molar volume. When the amount of V{sub 2}O{sub 5} increases, all these properties show a reverse trend. XPS measurement found in the O1s, P2p, and V2p core level spectra indicate the presence of primarily P–O–P, P–O–V and V–O–V structural bonds, the asymmetry in the P 2p spectra indeed arises from the spin-orbit splitting of P 2p core level, and more than one valence state of V ions being present. IR spectroscopy reveals the depolymerization of the phosphate glass network by systematic conversion of metaphosphate chains into pyrophosphate groups and then orthophosphate groups. Even though metaphosphate to pyrophosphate conversion is taking place due to breaking of P–O–P linkages, formation of P–O–V and P–O–Ba linkages provide cross linking between short P-structural units, which make the glass network more rigid. Above 10–20 mol% V{sub 2}O{sub 5} content, network is highly depolymerized due to the formation of orthophosphate units and V–O–V bridge bonds, resulting in poor cross-linking, making the glass network less rigid. - Highlights: • Barium–vanadium–phosphate glasses. • Structure has been investigated by XPS and IR spectra. • Variation in structure and properties with substitution of V{sub 2}O{sub 5} for P{sub 2}O{sub 5}. • Conversion of metaphosphate to pyrophosphate and finally to orthophosphate. • Substitution of P–O–P linkages by P–O–V, P–O–Ba and V–O–V linkages.

  10. Quantitative Surface Analysis by Xps (X-Ray Photoelectron Spectroscopy: Application to Hydrotreating Catalysts

    Directory of Open Access Journals (Sweden)

    Beccat P.

    1999-07-01

    Full Text Available XPS is an ideal technique to provide the chemical composition of the extreme surface of solid materials, vastly applied to the study of catalysts. In this article, we will show that a quantitative approach, based upon fundamental expression of the XPS signal, has enabled us to obtain a consistent set of response factors for the elements of the periodic table. In-depth spadework has been necessary to know precisely the transmission function of the spectrometer used at IFP. The set of response factors obtained enables to perform, on a routine basis, a quantitative analysis with approximately 20% relative accuracy, which is quite acceptable for an analysis of such a nature. While using this quantitative approach, we have developed an analytical method specific to hydrotreating catalysts that allows obtaining the sulphiding degree of molybdenum quite reliably and reproducibly. The usage of this method is illustrated by two examples for which XPS spectroscopy has provided with information sufficiently accurate and quantitative to help understand the reactivity differences between certain MoS2/Al2O3 or NiMoS/Al2O3-type hydrotreating catalysts.

  11. Photoelectron spectra of actinide compounds

    International Nuclear Information System (INIS)

    A brief overview of the application of photoelectron spectroscopy is presented for the study of actinide materials. Phenomenology as well as specific materials are discussed with illustrative examples

  12. Investigation of the grain-boundary chemistry in used CANDU fuel by x-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    The grain-boundary chemistry of used CANDU fuel is being systematically investigated by X-ray photoelectron spectroscopy (XPS) using a McPherson ESCA-36 instrument that has been adapted for routine studies of highly radioactive materials. Initial stages of fuel corrosion under various storage and disposal conditions can be identified from chemical-shift effects for uranium. For example, pervasive but highly selective grain-boundary oxidation has been revealed in CANDU fuels exposed to moist air at 150 deg. C for extended periods, suggesting aggressive radiolytic processes operating in a thin film of adsorbed water. Pronounced segregation of a number of fission products to cracks and grain boundaries in used CANDU fuels has been explicitly demonstrated by XPS as well. Model calculations and composition depth profiles are indicative of near monolayer films. Some correlations between fuel power history and fission-product distributions have been established and possible evidence of migration during moist-air exposure has been obtained. The key advantages and limitations of XPS in this context are discussed and illustrated with selected results. (author). 23 refs, 8 figs, 1 tab

  13. Bias induced Cu ion migration behavior in resistive change memory structure observed by hard X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    The Cu ion migration behavior of a Pt/Cu/HfO2/Pt structure, which is an oxide-based resistive random access memory (ReRAM) and exhibits resistance switching behavior at voltages of ±0.8 V, was investigated by hard X-ray photoelectron spectroscopy under a bias operation. A forward bias application, during switching from a high resistive state (HRS) to a low resistive state, reduced the Cu2O bonding state at the interface and the intensity ratio of Cu 2p3/2/Hf 3d5/2 (Cu/Hf) by 23 ± 5%, providing evidence of reductions in unintentionally formed Cu2O and Cu diffusion into the HfO2 layer. After switching to HRS again, Cu/Hf increased by 15 ± 5%, indicating that the Cu ion moved back to the top electrode side, though oxygen showed no bias voltage dependence. Consequently, the Cu ion has a key role in the switching. We directly observed the Cu migration behavior related to the resistive change at the Cu/HfO2 interface under bias operation. (author)

  14. Chemical analysis of semiconducting and metallic SmS thin films by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    We studied the chemical state of semiconducting and metallic SmS thin films by X-ray photoelectron spectroscopy (XPS), which were fabricated using dual-target magnetron sputtering by controlling the power applied to both metal and chalcogenide targets. On the basis of the valence band spectra obtained, it was suggested that semiconducting SmS has the final state corresponding to the Sm2+(4f6) configuration below the Fermi level, and metallic SmS has mainly the Sm3+(4f5) final state and a virtual band state in the Sm 5d band, contributing to the delocalization of 4f electrons and the emergence of metallic conductivity (4f6d0-4f5d1). Thus, the spectra of our fabricated SmS thin films correspond to the band structure obtained from the dielectric property. This is the first work performed on the intrinsically prepared metallic SmS while the former works done for the sample transformed from semiconductor to metal phase by hard polishing

  15. Reactivity of Au nanoparticles supported over SiO2 and TiO2 studiedby ambient pressure photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Herranz, Tirma; Deng, Xingyi; Cabot, Andreu; Alivisatos, Paul; Liu, Zhi; Soler-Illia, Galo; Salmeron, Miquel

    2009-04-15

    The influence of the metal cluster size and the identity of the support on the reactivity of gold based catalysts have been studied in the CO oxidation reaction. To overcome the structural complexity of the supported catalysts, gold nanoparticles synthesized from colloidal chemistry with precisely controlled size have been used. Those particles were supported over SiO{sub 2} and TiO{sub 2} and their catalytic activity was measured in a flow reactor. The reaction rate was dependent on the particle size and the support, suggesting two reaction pathways in the CO oxidation reaction. In parallel, ambient pressure photoelectron spectroscopy (APPS) has been performed under reaction conditions using bidimensional model catalysts prepared upon supporting the Au nanoparticles over planar polycrystalline SiO{sub 2} and TiO{sub 2} thin films by means of the Langmuir-Blodgett (LB) technique to mimic the characteristic of the powder samples. In this way, the catalytically active surface was characterized under true reaction conditions, revealing that during CO oxidation gold remains in the metallic state.

  16. X-ray photoelectron spectroscopy analysis of boron defects in silicon crystal: A first-principles study

    Science.gov (United States)

    Yamauchi, Jun; Yoshimoto, Yoshihide; Suwa, Yuji

    2016-05-01

    We carried out a comprehensive study on the B 1s core-level X-ray photoelectron spectroscopy (XPS) binding energies and formation energies for boron defects in crystalline silicon by first-principles calculation with careful evaluation of the local potential boundary condition for the model system using the supercell corresponding to 1000 Si atoms. It is reconfirmed that the cubo-octahedral B12 cluster in silicon crystal is unstable and exists at the saddle point decaying to the icosahedral and S4 B12 clusters. The electrically active clusters without any postannealing of ion-implanted Si are identified as icosahedral B12 clusters. The experimentally proposed threefold coordinated B is also identified as a ⟨ 001 ⟩ B - Si defect. For an as-doped sample prepared by plasma doping, the calculated XPS spectra for complexes consisting of vacancies and substitutional B atoms are consistent with the experimental spectra. It is proposed that, assuming that the XPS peak at 187.1 eV is due to substitutional B (Bs), the experimental XPS peaks at 187.9 and 186.7 eV correspond to interstitial B at the H-site and ⟨ 001 ⟩ B - Si defects, respectively. In the annealed samples, the complex of Bs and interstitial Si near the T-site is proposed as a candidate for the experimental XPS peak at 188.3 eV.

  17. Photoelectron spectroscopy study of AlN films grown on n-type 6H-SiC by MOCVD

    Science.gov (United States)

    Liang, F.; Chen, P.; Zhao, D. G.; Jiang, D. S.; Zhao, Z. J.; Liu, Z. S.; Zhu, J. J.; Yang, J.; Liu, W.; He, X. G.; Li, X. J.; Li, X.; Liu, S. T.; Yang, H.; Liu, J. P.; Zhang, L. Q.; Zhang, Y. T.; Du, G. T.

    2016-09-01

    Photoelectron spectroscopy has been employed to analyze the content and chemical states of the elements on the surface of AlN films with different thickness, which are synthesized by metalorganic chemical vapor deposition on the n-type SiC substrates under low pressure. It is found that, besides the carbon and gallium on the AlN surface, the atom percentage of surface oxygen increases from 4.9 to 8.4, and the electron affinity also increases from 0.36 to 0.97 eV, when the thickness of AlN films increase from 50 to 400 nm. Furthermore, accompanying with the high-resolution XPS spectra of the O 1s, it is speculated that surface oxygen may be the major influence on the electron affinity, where the surface oxygen changes the surface chemical states through replacing N to form Al-O bond and Ga-O bond, although there are also a few of Ga and C contaminations in the chemical sate of Ga-O and C-C, respectively.

  18. Time-of-flight secondary ion mass spectrometry and X-ray photoelectron spectroscopy analyses of Bixa orellana seeds.

    Science.gov (United States)

    Felicissimo, Marcella P; Bittencourt, Carla; Houssiau, Laurent; Pireaux, Jean-Jacques

    2004-04-01

    Three different experiments were performed in order to obtain the major carotenoid composition of the natural colorant annatto (E160b) through ToF-SIMS (time-of-flight secondary ion mass spectrometry) and XPS (X-ray photoelectron spectroscopy) analyses. In the first experiment, Bixa orellana seeds aril as well as its interior part were analyzed. The analysis of the seeds aril by ToF-SIMS gives the colorant fingerprint without any sample treatment, showing the presence of bixin and its characteristic fragments. The analysis performed in the interior part of the seeds indicates the presence of Fe. The second set of measurements was conducted on the seeds organic extract right after extraction revealing the same components observed by in situ measurement. A third set of measurements was performed aiming to determine the reason for the organic extract color shift observed after 3 months of exposure to ambient light at room temperature. In this case, it was possible to evidence the degradation of bixin by the loss of xylene molecules through ToF-SIMS and the probable carotenoid oxidation based on the C1s XPS spectrum of the degraded extract. PMID:15053514

  19. Probing Co/Si interface behaviour by X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM)

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    In this work, we investigate the Co-Si reaction, the Co growth mode at room temperature, diffusion behaviour as well as morphology evolution during annealing on both H-terminated and clean Si(001) and Si(111) surfaces. From in-situ X-ray photoelectron spectroscopy (XPS) investigation, "Co-Si" reaction appears to occur on both H-terminated and clean surfaces at room temperature (RT) and the silicide crystallinity is improved upon annealing.Co growth mode on H-terminated Si surfaces occurs in a pseudo layer-by-layer manner while small close-packed island growth mode is observed on the clean Si surface. Upon annealing at different temperatures, Co atom concentration decreases versus annealing time, which in part is attributed to Co atoms inward diffusion. The diffusion behaviour on both types of surfaces demonstrates a similar trend. Morphology study using ex-situ atomic force microscopy (AFM) shows that the islands formed on Si(001) surface after annealing at 700 ℃ are elongated with growth directions alternate between the two perpendicular [(-1)10] and [110] directions. Triangular islands are observed on Si(111) surface.

  20. Photoelectron spectroscopy study of thin Ag films deposited on to amorphous In–Ga–Zn–O surface

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Se Jun [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Baik, Jaeyoon; Ha, Taekyun; Park, Chong Do [Pohang Accelerator Laboratory, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Shin, Hyun-Joon, E-mail: shj001@postech.ac.kr [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Pohang Accelerator Laboratory, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Chung, JaeGwan; Lee, Jaecheol [A E Group, Samsung Advanced Institute of Technology, Giheung-Gu, Yongin-Si, GyeingGi-Do 449-712 (Korea, Republic of)

    2014-11-03

    Ag was thermally evaporated onto amorphous In–Ga–Zn–O (a-IGZO) thin film, and the Ag-thickness (< 0.3 nm)-dependent chemical states of the Ag-deposited a-IGZO thin-film surfaces were investigated by high-resolution X-ray photoelectron spectroscopy. As Ag layer thickness increased, Ag 3d shifted towards the lower binding energy (BE) side and In 3d developed a lower-BE component; however, O 1s, Ga 3d, and Zn 3d showed much smaller spectral feature changes than Ag 3d or In 3d. The analysis suggests that Ag atoms preferentially interact and share electrons with In atoms. The Ag 4d split feature at the valence band and the metallic states near the Fermi edge were noticeably visible when the Ag thickness was greater than 0.1 nm. - Highlights: • Ag was deposited on a-IGZO thin film using thermal evaporation method. • Chemical state changes of Ag-deposited a-IGZO were investigated by XPS. • As Ag layer thickness increased, In 3d developed a lower-BE component. • As Ag layer thickness increased, Ag 3d shifted towards the lower BE side. • Ag atoms preferentially interact and share electrons with In atoms.

  1. Photoelectric characteristics of silicon P—N junction with nanopillar texture: Analysis of X-ray photoelectron spectroscopy

    Science.gov (United States)

    Liu, Jing; Wang, Jia-Ou; Yi, Fu-Ting; Wu, Rui; Zhang, Nian; Ibrahim, Kurash

    2014-09-01

    Silicon nanopillars are fabricated by inductively coupled plasma (ICP) dry etching with the cesium chloride (CsCl) islands as masks originally from self-assembly. Wafers with nanopillar texture or planar surface are subjected to phosphorus (P) diffusion by liquid dopant source (POCl3) at 870 °C to form P—N junctions with a depth of 300 nm. The X-ray photoelectron spectroscopy (XPS) is used to measure the Si 2p core levels of P—N junction wafer with nanopillar texture and planar surface. With a visible light excitation, the P—N junction produces a new electric potential for photoelectric characteristic, which causes the Si 2p core level to have a energy shift compared with the spectrum without the visible light. The energy shift of the Si 2p core level is -0.27 eV for the planar P—N junction and -0.18 eV for the nanopillar one. The difference in Si 2p energy shift is due to more space lattice defects and chemical bond breaks for nanopillar compared with the planar one.

  2. X-ray photoelectron spectroscopy studies of MgB{sub 2} for valence state of Mg

    Energy Technology Data Exchange (ETDEWEB)

    Talapatra, A. [Department of Physics, Variable Energy Cyclotron Centre, 1/AF, Bidhan Nagar, Kolkata 700 064 (India); Bandyopadhyay, S.K. [Department of Physics, Variable Energy Cyclotron Centre, 1/AF, Bidhan Nagar, Kolkata 700 064 (India)]. E-mail: skband@veccal.ernet.in; Sen, Pintu [Department of Physics, Variable Energy Cyclotron Centre, 1/AF, Bidhan Nagar, Kolkata 700 064 (India); Barat, P. [Department of Physics, Variable Energy Cyclotron Centre, 1/AF, Bidhan Nagar, Kolkata 700 064 (India); Mukherjee, S. [Saha Institute of Nuclear Physics, 1/AF, Bidhan Nagar, Kolkata 700 064 (India); Mukherjee, M. [Saha Institute of Nuclear Physics, 1/AF, Bidhan Nagar, Kolkata 700 064 (India)

    2005-03-01

    Core level X-ray photoelectron spectroscopy (XPS) studies have been carried out on polycrystalline MgB{sub 2} pellets over the whole binding energy range with a view to having an idea of the charge state of magnesium (Mg). We observe three distinct peaks in Mg 2p spectra at 49.3 eV (trace), 51.3 eV (major) and 54.0 eV (trace), corresponding to metallic Mg, MgB{sub 2} and MgCO{sub 3} or, divalent Mg species, respectively. Similar trend has been noticed in Mg 2s spectra. The binding energy of Mg in MgB{sub 2} is lower than that corresponding to Mg(2+), indicative of the fact that the charge state of Mg in MgB{sub 2} is less than (2+). Lowering of the formal charge of Mg promotes the {sigma} {yields} {pi} electron transfer in boron (B) giving rise to holes on the top of the {sigma}-band which are involved in coupling with B E{sub 2g} phonons for superconductivity. Through this charge transfer, Mg plays a positive role in hole superconductivity. B 1s spectra consist of three peaks corresponding to MgB{sub 2}, boron and B{sub 2}O{sub 3}. There is also evidence of MgO due to surface oxidation as seen from O 1s spectra.

  3. In situ x-ray photoelectron spectroscopy studies of gas/solidinterfaces at near-ambient conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bluhm, Hendrik; Havecker, Michael; Knop-Gericke, Axel; Kiskinova,Maya; Schlogl, Robert; Salmeron, Miquel

    2007-12-03

    X-ray photoelectron spectroscopy (XPS) is a quantitative, chemically specific technique with a probing depth of a few angstroms to a few nanometers. It is therefore ideally suited to investigate the chemical nature of the surfaces of catalysts. Because of the scattering of electrons by gas molecules, XPS is generally performed under vacuum conditions. However, for thermodynamic and/or kinetic reasons, the catalyst's chemical state observed under vacuum reaction conditions is not necessarily the same as that of a catalyst under realistic operating pressures. Therefore, investigations of catalysts should ideally be performed under reaction conditions, i.e., in the presence of a gas or gas mixtures. Using differentially pumped chambers separated by small apertures, XPS can operate at pressures of up to 1 Torr, and with a recently developed differentially pumped lens system, the pressure limit has been raised to about 10 Torr. Here, we describe the technical aspects of high-pressure XPS and discuss recent applications of this technique to oxidation and heterogeneous catalytic reactions on metal surfaces.

  4. Adsorption of Saliva Related Protein on Denture Materials: An X-Ray Photoelectron Spectroscopy and Quartz Crystal Microbalance Study

    Directory of Open Access Journals (Sweden)

    Akiko Miyake

    2016-01-01

    Full Text Available The aim of this study was to evaluate the difference in the adsorption behavior of different types of bovine salivary proteins on the PMMA and Ti QCM sensors are fabricated by spin-coating and sputtering onto bare QCM sensors by using QCM and X-ray photoelectron spectroscopy (XPS. SPM, XPS, and contact angle investigations were carried out to determine the chemical composition and surface wettability of the QCM surface. We discuss the quality of each sensor and evaluate the potential of the high-frequency QCM sensors by investigating the binding between the QCM sensor and the proteins albumin and mucin (a salivary-related protein. The SPM image showed a relatively homogeneous surface with nano-order roughness. The XPS survey spectra of the thin films coated on the sensors were similar to the binding energy of the characteristic spectra of PMMA and Ti. Additionally, the amount of salivary-related protein on the PMMA QCM sensor was higher than those on the Ti and Au QCM sensors. The difference of protein adsorption is proposed to be related to the wettability of each material. The PMMA and Ti QCM sensors are useful tools to study the adsorption and desorption of albumin and mucin on denture surfaces.

  5. X-ray photoelectron spectroscopy and micro-Raman analysis of conductive RuO2 thin films

    Science.gov (United States)

    Bhaskar, S.; Dobal, P. S.; Majumder, S. B.; Katiyar, R. S.

    2001-03-01

    Ruthenium oxide (RuO2) was synthesized in thin film and powder forms using the solution chemistry technique. The oxide electrodes on Si substrates were characterized in terms of their structure, composition, stoichiometry, and conductivity. X-ray lattice parameter calculations and micro-Raman analysis revealed the rutile structure in the material. Both films and powders exhibited an unassigned Raman band at about 477 cm-1 in their Raman spectra. Performing peak frequency calculations for B2g and A1g modes of RuO2 using the rigid-ion model, which ruled out the possibility that this band originated from disorder induced symmetry, allowed silent mode. Based on the x-ray photoelectron spectroscopy (XPS) and temperature dependent Raman studies, this band was assigned to hydrated RuO2. XPS characterizations of our samples revealed minute surface contamination of oxygen and chlorine, probably due to the film preparation and high temperature deposition processes. Films with uniform microstructure, low surface roughness, and good electrical properties meet the requirements for serving as the bottom electrode for the ferroelectric capacitor.

  6. Hard X-ray photoelectron and X-ray absorption spectroscopy characterization of oxidized surfaces of iron sulfides

    Science.gov (United States)

    Mikhlin, Yuri; Tomashevich, Yevgeny; Vorobyev, Sergey; Saikova, Svetlana; Romanchenko, Alexander; Félix, Roberto

    2016-11-01

    Hard X-ray photoelectron spectroscopy (HAXPES) using an excitation energy range of 2 keV to 6 keV in combination with Fe K- and S K-edge XANES, measured simultaneously in total electron (TEY) and partial fluorescence yield (PFY) modes, have been applied to study near-surface regions of natural polycrystalline pyrite FeS2 and pyrrhotite Fe1-xS before and after etching treatments in an acidic ferric chloride solution. It was found that the following near-surface regions are formed owing to the preferential release of iron from oxidized metal sulfide lattices: (i) a thin, no more than 1-4 nm in depth, outer layer containing polysulfide species, (ii) a layer exhibiting less pronounced stoichiometry deviations and low, if any, concentrations of polysulfide, the composition and dimensions of which vary for pyrite and pyrrhotite and depend on the chemical treatment, and (iii) an extended almost stoichiometric underlayer yielding modified TEY XANES spectra, probably, due to a higher content of defects. We suggest that the extended layered structure should heavily affect the near-surface electronic properties, and processes involving the surface and interfacial charge transfer.

  7. Uniqueness plots: A simple graphical tool for identifying poor peak fits in X-ray photoelectron spectroscopy

    Science.gov (United States)

    Singh, Bhupinder; Diwan, Anubhav; Jain, Varun; Herrera-Gomez, Alberto; Terry, Jeff; Linford, Matthew R.

    2016-11-01

    Peak fitting is an essential part of X-ray photoelectron spectroscopy (XPS) narrow scan analysis, and the Literature contains both good and bad examples of peak fitting. A common cause of poor peak fitting is the inclusion of too many fit parameters, often without a sound chemical and/or physical basis for them, and/or the failure to reasonably constrain them. Under these conditions, fit parameters are often correlated, and therefore lacking in statistical meaning. Here we introduce the uniqueness plot as a simple graphical tool for identifying bad peak fits in XPS, i.e., fit parameter correlation. These plots are widely used in spectroscopic ellipsometry. We illustrate uniqueness plots with two data sets: a C 1s narrow scan from ozone-treated carbon nanotube forests and an Si 2p narrow scan from an air-oxidized silicon wafer. For each fit, we consider different numbers of parameters and constraints on them. As expected, the uniqueness plots are parabolic when fewer fit parameters and/or more constraints are applied. However, they fan out and eventually become horizontal lines as more unconstrained parameters are included in the fits. Uniqueness plots are generated by plotting the chi squared (χ2) value for a fit vs. a systematically varied value of a parameter in the fit. The Abbe criterion is also considered as a figure of merit for uniqueness plots in the Supporting Information. We recommend that uniqueness plots be used by XPS practitioners for identifying inappropriate peak fits.

  8. In Situ Ambient Pressure X-ray Photoelectron Spectroscopy of Cobalt Perovskite Surfaces under Cathodic Polarization at High Temperatures

    KAUST Repository

    Crumlin, Ethan J.

    2013-08-08

    Heterostructured oxide interfaces have demonstrated enhanced oxygen reduction reaction rates at elevated temperatures (∼500-800 C); however, the physical origin underlying this enhancement is not well understood. By using synchrotron-based in situ ambient pressure X-ray photoelectron spectroscopy (APXPS), we focus on understanding the surface electronic structure, elemental composition, and chemical nature of epitaxial La0.8Sr 0.2CoO3-δ (LSC113), (La 0.5Sr0.5)2CoO4±δ (LSC214), and LSC214-decorated LSC113 (LSC 113/214) thin films as a function of applied electrical potentials (0 to -800 mV) at 520 C and p(O2) of 1 × 10-3 atm. Shifts in the top of the valence band binding energy and changes in the Sr 3d and O 1s spectral components under applied bias reveal key differences among the film chemistries, most notably in the degree of Sr segregation to the surface and quantity of active oxygen sites in the perovskite termination layer. These differences help to identify important factors governing the enhanced activity of oxygen electrocatalysis observed for the LSC113/214 heterostructured surface. © 2013 American Chemical Society.

  9. Reduction of Vanadium Oxide (VOx) under High Vacuum Conditions as Investigated by X-Ray Photoelectron Spectroscopy

    Science.gov (United States)

    Chourasia, A.

    2015-03-01

    Vanadium oxide thin films were formed by depositing thin films of vanadium on quartz substrates and oxidizing them in an atmosphere of oxygen. The deposition was done by the e-beam technique. The oxide films were annealed at different temperatures for different times under high vacuum conditions. The technique of x-ray photoelectron spectroscopy has been employed to study the changes in the oxidation states of vanadium and oxygen in such films. The spectral features in the vanadium 2p, oxygen 1s, and the x-ray excited Auger regions were investigated. The Auger parameter has been utilized to study the changes. The complete oxidation of elemental vanadium to V2O5 was observed to occur at 700°C. At any other temperature, a mixture of oxides consisting of V2O5 and VO2 was observed in the films. Annealing of the films resulted in the gradual loss of oxygen followed by reduction in the oxidation state from +5 to 0. The reduction was observed to depend upon the annealing temperature and the annealing time. Organized Research, TAMU-Commerce.

  10. X-ray photoelectron spectroscopy of CeO2-Na2O-SiO2 glasses

    International Nuclear Information System (INIS)

    A series of (CeO2)x-(Na2O)0.3-(SiO2)(0.7-x) glasses, where 0.025 ≤ x ≤ 0.075, have been synthesized and investigated by mean of X-ray photoelectron spectroscopy (XPS). The Ce 3d spin-orbit doublet was curve fitted in order to quantify the proportions of each cerium oxidation state in these glasses. It was found that Ce ions are predominantly in the Ce(III) state in glasses with compositions x ≤ 0.075, while mixed Ce valences were found in the glass with composition x = 0.10. The O 1s spectra have also been curve fitted with two components, one from bridging oxygen (BO) and the other from non-bridging oxygen atoms (NBO). The measured number of NBO, based on the fact that only oxygen atoms in the site Si-O-Na+ contribute to the NBO peak, was found to be constant at ∼35% for all samples, in good agreement with the value calculated from the glass composition and inductively coupled plasma (ICP) suggesting that Ce ions enter the network as a glass intermediate. The thermal measurements done on these glasses agree well with the XPS findings

  11. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Guorong [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Neville, Simon P. [Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Schalk, Oliver [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Physics, AlbaNova University Center, Stockholm University, Roslagstullsbacken 21, 106 91 Stockholm (Sweden); Sekikawa, Taro [Department of Applied Physics, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Ashfold, Michael N. R. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Worth, Graham A. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Stolow, Albert, E-mail: astolow@uottawa.ca [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Department of Physics, University of Ottawa, 150 Louis Pasteur, Ottawa, Ontario K1N 6N5 (Canada)

    2016-01-07

    The dynamics of N-methylpyrrole following excitation at wavelengths in the range 241.5-217.0 nm were studied using a combination of time-resolved photoelectron spectroscopy (TRPES), ab initio quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree method, as well as high-level photoionization cross section calculations. Excitation at 241.5 and 236.2 nm results in population of the A{sub 2}(πσ{sup ∗}) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B{sub 1}(π3p{sub y}) Rydberg state, followed by prompt internal conversion to the A{sub 2}(πσ{sup ∗}) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A{sub 2}(πσ{sup ∗}) state was found to vary with excitation wavelength, decreasing by one order of magnitude upon tuning from 241.5 nm to 236.2 nm and by more than three orders of magnitude when excited at 217.0 nm. The order of magnitude difference in lifetimes measured at the longer excitation wavelengths is attributed to vibrational excitation in the A{sub 2}(πσ{sup ∗}) state, facilitating wavepacket motion around the potential barrier in the N–CH{sub 3} dissociation coordinate.

  12. Dirac cones, Floquet side bands, and theory of time-resolved angle-resolved photoemission

    Science.gov (United States)

    Farrell, Aaron; Arsenault, A.; Pereg-Barnea, T.

    2016-10-01

    Pump-probe techniques with high temporal resolution allow one to drive a system of interest out of equilibrium and at the same time probe its properties. Recent advances in these techniques open the door to studying new, nonequilibrium phenomena such as Floquet topological insulators and superconductors. These advances also necessitate the development of theoretical tools for understanding the experimental findings and predicting new ones. In the present paper, we provide a theoretical foundation to understand the nonequilibrium behavior of a Dirac system. We present detailed numerical calculations and simple analytic results for the time evolution of a Dirac system irradiated by light. These results are framed by appealing to the recently revitalized notion of side bands [A. Farrell and T. Pereg-Barnea, Phys. Rev. Lett. 115, 106403 (2015), 10.1103/PhysRevLett.115.106403; Phys. Rev. B 93, 045121 (2016), 10.1103/PhysRevB.93.045121], extended to the case of nonperiodic drive where the fast oscillations are modified by an envelope function. We apply this formalism to the case of photocurrent generated by a second probe pulse. We find that, under the application of circularly polarized light, a Dirac point only ever splits into two copies of side bands. Meanwhile, the application of linearly polarized light leaves the Dirac point intact while producing side bands. In both cases the population of the side bands are time dependent through their nonlinear dependence on the envelope of the pump pulse. Our immediate interest in this work is in connection to time- and angle-resolved photoemission experiments, where we find excellent qualitative agreement between our results and those in the literature [Wang et al., Science 342, 453 (2013), 10.1126/science.1239834]. However, our results are general and may prove useful beyond this particular application and should be relevant to other pump-probe experiments.

  13. Gantry-angle resolved VMAT pretreatment verification using EPID image prediction

    Energy Technology Data Exchange (ETDEWEB)

    Woodruff, Henry C.; Rowshanfarzad, Pejman [School of Mathematical and Physical Sciences, The University of Newcastle, NSW 2308 (Australia); Fuangrod, Todsaporn [School of Electrical Engineering and Computer Science, The University of Newcastle, NSW 2308 (Australia); McCurdy, Boyd M. C. [Division of Medical Physics, CancerCare Manitoba, 675 McDermot Avenue, Winnipeg, Manitoba R3E 0V9 (Canada); Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada); Department of Radiology, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada); Greer, Peter B. [School of Mathematical and Physical Sciences, The University of Newcastle, NSW 2308, Australia and Department of Radiation Oncology, Calvary Mater Newcastle Hospital, Locked Bag 7, Hunter region Mail Centre, Newcastle, NSW 2310 (Australia)

    2013-08-15

    Purpose: Pretreatment verification of volumetric modulated arc therapy (VMAT) dose delivery with electronic portal imaging device (EPID) uses images integrated over the entire delivery or over large subarcs. This work aims to develop a new method for gantry-angle-resolved verification of VMAT dose delivery using EPID.Methods: An EPID dose prediction model was used to calculate EPID images as a function of gantry angle for eight prostate patient deliveries. EPID image frames at 7.5 frames per second were acquired during delivery via a frame-grabber system. The gantry angle for each image was encoded in kV frames which were synchronized to the MV frames. Gamma analysis results as a function of gantry angle were assessed by integrating the frames over 2° subarcs with an angle-to-agreement tolerance of 0.5° about the measured image angle.Results: The model agreed with EPID images integrated over the entire delivery with average Gamma pass-rates at 2%, 2 mm of 99.7% (10% threshold). The accuracy of the kV derived gantry angle for each image was found to be 0.1° (1 SD) using a phantom test. For the gantry-resolved analysis all Gamma pass-rates were greater than 90% at 3%, 3 mm criteria (with only two exceptions), and more than 90% had a 95% pass-rate, with an average of 97.3%. The measured gantry angle lagged behind the predicted angle by a mean of 0.3°± 0.3°, with a maximum lag of 1.3°.Conclusions: The method provides a comprehensive and highly efficient pretreatment verification of VMAT delivery using EPID. Dose delivery accuracy is assessed as a function of gantry angle to ensure accurate treatment.

  14. Far-Infrared Spectroscopy of Cationic Polycyclic Aromatic Hydrocarbons: Zero Kinetic Energy Photoelectron Spectroscopy of Pentacene Vaporized from Laser Desorption

    CERN Document Server

    Zhang, J; Pei, L; Kong, W; Li, Aigen

    2012-01-01

    The distinctive set of infrared (IR) emission bands at 3.3, 6.2, 7.7, 8.6, and 11.3{\\mu}m are ubiquitously seen in a wide variety of astrophysical environments. They are generally attributed to polycyclic aromatic hydrocarbon (PAH) molecules. However, not a single PAH species has yet been identified in space, as the mid-IR vibrational bands are mostly representative of functional groups and thus do not allow one to fingerprint individual PAH molecules. In contrast, the far-IR (FIR) bands are sensitive to the skeletal characteristics of a molecule, hence they are important for chemical identification of unknown species. With an aim to offer laboratory astrophysical data for the Herschel Space Observatory, Stratospheric Observatory for Infrared Astronomy, and similar future space missions, in this work we report neutral and cation FIR spectroscopy of pentacene (C_22H_14), a five-ring PAH molecule. We report three IR active modes of cationic pentacene at 53.3, 84.8, and 266{\\mu}m that may be detectable by space ...

  15. Characterizing reactions to fabricate thin films of charge transfer complexes by synchrotron photoelectron spectroscopy: A case study of DCNQI-Cu

    Science.gov (United States)

    Shimada, Toshihiro; Mochida, Michihiro; Koma, Atsushi

    1997-04-01

    Ultraviolet photoelectron spectroscopy with various photon energies using synchrotron radiation was used to characterize chemical reactions associated with thin film growth of organic charge transfer complex (DMe-DCNQI) 2Cu. Other molecular systems H 2Pc, CuPc and C 60 were also studied to clarify the origin of the systematic relation between the spectra and the incident photon energy. Characteristic photon energy dependence of the photo-ionization cross section of molecular orbitals is useful to analyze the intermolecular reactions.

  16. X-ray photoelectron spectroscopy analysis of whole cells and isolated cell walls of gram-positive bacteria: comparison with biochemical analysis.

    OpenAIRE

    Dufrêne, Yves; van der Wal, A.; Norde, W; Rouxhet, Paul

    1997-01-01

    The surface chemical composition of whole cells and isolated cell walls of four coryneform bacteria and of a Bacillus brevis strain has been determined by X-ray photoelectron spectroscopy (XPS). The XPS data were converted into concentrations of model compounds: peptides, polysaccharides, and hydrocarbonlike compounds. The composition of the surface of B. brevis differed markedly from that of coryneforms: the peptide concentration was about twice higher in the former case, which is attributed...

  17. Effects of Varied Cleaning Methods on Ni-5% W Substrate for Dip-Coating of Water-based Buffer Layers: An X-ray Photoelectron Spectroscopy Study

    OpenAIRE

    Isabel Van Driessche; Ruben Hühne; Els Bruneel; Vyshnavi Narayanan

    2012-01-01

    This work describes various combinations of cleaning methods involved in the preparation of Ni-5% W substrates for the deposition of buffer layers using water-based solvents. The substrate has been studied for its surface properties using X-ray photoelectron spectroscopy (XPS). The contaminants in the substrates have been quantified and the appropriate cleaning method was chosen in terms of contaminants level and showing good surface crystallinity to further consider them for depositing chemi...

  18. Application of the Auger and X-ray photoelectron electronic spectroscopies to the study of superficial segregation in the system Pt-Rh

    International Nuclear Information System (INIS)

    The Auger and X-ray photoelectron spectroscopies are applied to the study of the superficial segregation in the system of the binary alloy Pt-Rh. The methodology for the cleaning of the samples, which is essential for the obtainment of reproducible results, has been established. The spectra qualitative analysis allows to identify the element segregated. The application of the Gallon model permits to develop a quantitative study of the phenomenon. (S.M.)

  19. Organic heterojunctions of layered perylene and phthalocyanine dyes: characterization with UV-photoelectron spectroscopy and luminescence quenching

    Energy Technology Data Exchange (ETDEWEB)

    Alloway, Dana M.; Armstrong, Neal R. [University of Arizona, Department of Chemistry, Tucson, AZ (United States)

    2009-04-15

    We present here the characterization of organic/organic' heterojunctions created from either of two perylene dyes, perylenetetracarboxylicdianhydride (PTCDA) or the bisimide derivative perylenetetracarboxylicdianhydride-N,N'-bis (butyl)imide (C4-PTCDI), and two chloro-metallated donor phthalocyanines (ClAlPc or ClInPc). The perylene dyes were selected to create thin films with the core of the perylene dye parallel to the substrate plane (PTCDA) or nearly vertical to the substrate plane, with layer planes defined by the butyl substituents (C4-PTCDI). We compare the frontier orbital offsets revealed by UV-photoelectron spectroscopy, and quenching of luminescence of the perylene dyes, as a function of Pc coverage. The ionization potentials (IPs) of the Pc layers, the degree to which interface dipoles are formed at the Pc/perylene dye interface, and the degree of quenching of the perylene luminescence are affected by the structure of the Pc/perylene interface. Pc/PTCDA heterojunctions show significant interface dipoles and higher IPs for the first-deposited Pc layers compared to Pc/C4-PTCDI heterojunctions, which show negligible interface dipoles and lower overall IP values for initial Pc layers. Luminescence of the selectively excited perylene layers is quenched by the addition of even submonolayer coverages of Pc. This quenching process occurs as a result of both energy transfer (perylene to Pc) and charge transfer (Pc to perylene). Luminescence from monomeric and aggregated ClAlPc and ClInPc monolayers is seen on C4-PTCDI films, whereas only luminescence from the aggregated forms of these Pcs is seen on PTCDA films. These studies reveal aspects of organic heterojunction energetics which may have important implications for organic solar cell design. (orig.)

  20. X-ray photoelectron spectroscopy study of the passivation of NiAl(100) by water vapor.

    Science.gov (United States)

    Cai, Na; Liu, Qianqian; Tong, Xiao; Zhou, Guangwen

    2014-01-28

    The oxidation of NiAl(100) surfaces by water vapor is studied using X-ray photoelectron spectroscopy (XPS) to elucidate the effect of temperature and vapor pressure on the surface passivation mechanism of the NiAl alloy. The water-vapor oxidation at ambient temperature (25 °C) results in self-limiting Al(OH)3/Al2O3 bilayer film growth to a less extent of the limiting thickness regimes, in which the growth of the inner Al2O3 layer occurs via dehydration of the outer Al(OH)3 layer. The growth of the passivating overlayer at the ambient temperature depletes Al and forms a Ni-rich layer at the oxide/alloy interface that impedes supply of Al atoms to the outer surface for Al(OH)3 formation via the hydration reaction, whereby resulting in a more Al-deficient structure of the outer Al(OH)3 layer upon increasing the vapor pressure. In contrast, the water-vapor oxidation at 300 °C results in Al2O3 single-layer film growth to a larger limiting thickness without involving the transient hydroxide phase of Al(OH)3. It is shown that increasing the oxidation temperatures results in the formation of a more compact Al2O3 film owning to the enhanced bulk diffusion rate that maintains an adequate supply of Al atoms to the oxide/alloy interface to sustain the oxide film growth to the full extent of the limiting thickness. PMID:24417205

  1. X-ray photoelectron spectroscopy study of the growth kinetics of biomimetically grown hydroxyapatite thin-film coatings

    Science.gov (United States)

    McLeod, K.; Kumar, S.; Dutta, N. K.; Smart, R. St. C.; Voelcker, N. H.; Anderson, G. I.

    2010-09-01

    Hydroxyapatite (HA) thin-film coatings grown biomimetically using simulated body fluid (SBF) are desirable for a range of applications such as improved fixation of fine- and complex-shaped orthopedic and dental implants, tissue engineering scaffolds and localized and sustained drug delivery. There is a dearth of knowledge on two key aspects of SBF-grown HA coatings: (i) the growth kinetics over short deposition periods, hours rather than weeks; and (ii) possible difference between the coatings deposited with and without periodic SBF replenishment. A study centred on these aspects is reported. X-ray photoelectron spectroscopy (XPS) has been used to study the growth kinetics of SBF-grown HA coatings for deposition periods ranging from 0.5 h to 21 days. The coatings were deposited with and without periodic replenishment of SBF. The XPS studies revealed that: (i) a continuous, stable HA coating fully covered the titanium substrate after a growth period of 13 h without SBF replenishment; (ii) thicker HA coatings about 1 μm in thickness resulted after a growth period of 21 days, both with and without SBF replenishment; and (iii) the Ca/P ratio at the surface of the HA coating was significantly lower than that in its bulk. No significant difference between HA grown with and without periodic replenishment of SBF was found. The coatings were determined to be carbonated, a characteristic desirable for improved implant fixation. The atomic force and scanning electron microscopies results suggested that heterogeneous nucleation and growth are the primary deposition mode for these coatings. Primary osteoblast cell studies demonstrated the biocompatibility of these coatings, i.e., osteoblast colony coverage of approximately 80%, similar to the control substrate (tissue culture polystyrene).

  2. X-ray photoelectron spectroscopy study of the growth kinetics of biomimetically grown hydroxyapatite thin-film coatings

    International Nuclear Information System (INIS)

    Hydroxyapatite (HA) thin-film coatings grown biomimetically using simulated body fluid (SBF) are desirable for a range of applications such as improved fixation of fine- and complex-shaped orthopedic and dental implants, tissue engineering scaffolds and localized and sustained drug delivery. There is a dearth of knowledge on two key aspects of SBF-grown HA coatings: (i) the growth kinetics over short deposition periods, hours rather than weeks; and (ii) possible difference between the coatings deposited with and without periodic SBF replenishment. A study centred on these aspects is reported. X-ray photoelectron spectroscopy (XPS) has been used to study the growth kinetics of SBF-grown HA coatings for deposition periods ranging from 0.5 h to 21 days. The coatings were deposited with and without periodic replenishment of SBF. The XPS studies revealed that: (i) a continuous, stable HA coating fully covered the titanium substrate after a growth period of 13 h without SBF replenishment; (ii) thicker HA coatings about 1 μm in thickness resulted after a growth period of 21 days, both with and without SBF replenishment; and (iii) the Ca/P ratio at the surface of the HA coating was significantly lower than that in its bulk. No significant difference between HA grown with and without periodic replenishment of SBF was found. The coatings were determined to be carbonated, a characteristic desirable for improved implant fixation. The atomic force and scanning electron microscopies results suggested that heterogeneous nucleation and growth are the primary deposition mode for these coatings. Primary osteoblast cell studies demonstrated the biocompatibility of these coatings, i.e., osteoblast colony coverage of approximately 80%, similar to the control substrate (tissue culture polystyrene).

  3. X-ray photoelectron spectroscopy analysis of aluminum and copper cleaning procedures for the Advanced Photon Source

    International Nuclear Information System (INIS)

    The Advanced Photon Source (APS), presently under construction, will produce x rays of unprecedented brightness. The storage ring where the x rays will be produced will be constructed from an extruded 6063 aluminum alloy, while transition pieces (flanges, etc.) will be made from a 2219 aluminum alloy. In addition, cooled photon absorbers will be placed in strategic locations throughout the ring to intercept the majority of the unused high power-density radiation. These will be made of either CDA-101 (OFHC) copper or glidcop (a dispersion strengthened copper alloy). Before any of these components can be assembled they must be cleaned to remove surface contaminants so that the ultrahigh vacuum (<0.1 nTorr) necessary for successful operation can be achieved. Many recipes for cleaning aluminum and copper exist; however, most of them involve the use of chemicals that present safety and/or environmental concerns. We have undertaken an x-ray photoelectron spectroscopy study of the effects of a variety of commercially available cleaners on the surface cleanliness of aluminum and copper. Several important results have been identified in this study. A simple alkaline detergent in an ultrasonic bath cleans aluminum alloys as effectively as the more aggressive cleaning solutions. The detergent can be used at 65 degree C to clean the 6063 alloy and at 50 degree C to clean the 2219 alloy. A citric acid based cleaner was found to be effective at cleaning copper, although the surface oxidizes rapidly. To date, we have been unable to find a universal cleaning procedure, i.e., one that is optimal for cleaning both Al and Cu

  4. X-ray photoelectron spectroscopy study of the growth kinetics of biomimetically grown hydroxyapatite thin-film coatings

    Energy Technology Data Exchange (ETDEWEB)

    McLeod, K. [Ian Wark Research Institute, University of South Australia, Mawson Lakes, SA 5095 (Australia); Kumar, S., E-mail: sunil.kumar@unisa.edu.au [Ian Wark Research Institute, University of South Australia, Mawson Lakes, SA 5095 (Australia); Dutta, N.K. [Ian Wark Research Institute, University of South Australia, Mawson Lakes, SA 5095 (Australia); Smart, R.St.C. [Applied Centre for Structural and Synchrotron Studies, University of South Australia, Mawson Lakes, SA 5095 (Australia); Voelcker, N.H. [School of Chemistry, Physics and Earth Sciences, Flinders University of South Australia, GPO Box 2100, Adelaide 5001 (Australia); Anderson, G.I. [School of Veterinary Science, University of Adelaide, Adelaide, SA 5005 (Australia)

    2010-09-15

    Hydroxyapatite (HA) thin-film coatings grown biomimetically using simulated body fluid (SBF) are desirable for a range of applications such as improved fixation of fine- and complex-shaped orthopedic and dental implants, tissue engineering scaffolds and localized and sustained drug delivery. There is a dearth of knowledge on two key aspects of SBF-grown HA coatings: (i) the growth kinetics over short deposition periods, hours rather than weeks; and (ii) possible difference between the coatings deposited with and without periodic SBF replenishment. A study centred on these aspects is reported. X-ray photoelectron spectroscopy (XPS) has been used to study the growth kinetics of SBF-grown HA coatings for deposition periods ranging from 0.5 h to 21 days. The coatings were deposited with and without periodic replenishment of SBF. The XPS studies revealed that: (i) a continuous, stable HA coating fully covered the titanium substrate after a growth period of 13 h without SBF replenishment; (ii) thicker HA coatings about 1 {mu}m in thickness resulted after a growth period of 21 days, both with and without SBF replenishment; and (iii) the Ca/P ratio at the surface of the HA coating was significantly lower than that in its bulk. No significant difference between HA grown with and without periodic replenishment of SBF was found. The coatings were determined to be carbonated, a characteristic desirable for improved implant fixation. The atomic force and scanning electron microscopies results suggested that heterogeneous nucleation and growth are the primary deposition mode for these coatings. Primary osteoblast cell studies demonstrated the biocompatibility of these coatings, i.e., osteoblast colony coverage of approximately 80%, similar to the control substrate (tissue culture polystyrene).

  5. (3+1) Resonance enhanced multiphoton ionization-photoelectron spectroscopy on the E, F, and G Rydberg states of ClO

    OpenAIRE

    Buma, W.J.; Wales, N. P. L.; Lange

    1996-01-01

    (3 + 1) resonance enhanced multiphoton ionization-photoelectron spectroscopy is employed to investigate the spectroscopy and ionization dynamics of the E, F, and G Rydberg states of ClO. The results establish that the E and F Rydberg states converge upon the X3- ground ionic state, while the G state belongs to a Rydberg series with an excited a 1D ioni core. Improved ionization thresholds of these two ionic states are determined as 10.887 ± 0.005 and 11.750 ± 0.005 eV.

  6. Thermal decomposition of methyl 2-azidopropionate studied by UV photoelectron spectroscopy and matrix isolation IR spectroscopy: heterocyclic intermediate vs imine formation.

    Science.gov (United States)

    Pinto, R M; Dias, A A; Costa, M L; Rodrigues, P; Barros, M T; Ogden, J S; Dyke, J M

    2011-08-01

    Methyl 2-azidopropionate (N(3)CH(3)CHCOOCH(3), M2AP) has been synthesized and characterized by different spectroscopic methods, and the thermal decomposition of this molecule has been investigated by matrix isolation infrared (IR) spectroscopy and ultraviolet photoelectron spectroscopy (UVPES). Computational methods have been employed in the spectral simulation of both UVPES and matrix IR spectra and in the rationalization of the thermal decomposition results. M2AP presents a HOMO vertical ionization energy (VIE) of 9.60 ± 0.03 eV and contributions from all four lowest-energy conformations of this molecule are detected in the gas phase. Its thermal decomposition starts at ca. 400 °C and is complete at ca. 650 °C, yielding N(2), CO, CO(2), CH(3)CN, and CH(3)OH as the final decomposition products. Methyl formate (MF) and CH(4) are also found during the pyrolysis process. Analysis of the potential energy surface of the decomposition of M2AP indicates that M2AP decomposes preferentially into the corresponding imine (M2IP), through a 1,2-H shift synchronous with the N(2) elimination (Type 1 mechanism), requiring an activation energy of 160.8 kJ/mol. The imine further decomposes via two competitive routes: one accounting for CO, CH(3)OH, and CH(3)CN (ΔE(G3) = 260.2 kJ/mol) and another leading to CO(2), CH(4), and CH(3)CN (ΔE(G3) = 268.6 kJ/mol). A heterocyclic intermediate (Type 2 mechanism)-4-Me-5-oxazolidone-can also be formed from M2AP via H transfer from the remote O-CH(3) group, together with the N(2) elimination (ΔE(G3) = 260.2 kJ/mol). Finally, a third pathway which accounts for the formation of MF through an M2AP isomer is envisioned.

  7. Improvements in the contemporary photoemission spectroscopy implementation: A message to the ARPES community

    CERN Document Server

    Patil, Swapnil

    2015-01-01

    In this short communication, we highlight the deficiencies within the contemporary angle resolved photoemission spectroscopy (ARPES) implementations and point out few remedies towards their resolution. These deficiencies prohibit the current version of the ARPES technique from revealing the many-body physics of solids in its entirety. It is believed that the origin of these deficiencies lie within the prevailing data acquisition methods used for registering information from the photoelectron. It is argued that a slight change in the data acquisition methods would remedy the situation.

  8. Photoelectron microscopy of the Mott-Hubbard transition at inhomogeneously Rb adsorbed 1T-TaS2 surfaces

    International Nuclear Information System (INIS)

    Layered 1T-TaS2 is of particular interest because it shows a rich phase diagram including various charge-density-wave phases and a first-order metal-insulator transition at about 180K which is widely understood as a Mott-Hubbard-type localization. Using angle-resolved photoemission, it has been shown that a similar metal-insulator transition at the surface of 1T-TaS2 can be induced already at room temperature by simple adsorption of Rb. To further investigate this emerging transition we have tried to prepare sharp Rb domains at the surface of 1T-TaS2. Photoelectron microscopy measurements at beamline BL 31 at MAX-lab (Lund) and photoelectron spectroscopy measurements at beamline BW 3 at HASYLAB (Hamburg) show that it is indeed possible to prepare such a sharp Rb domain and that the Mott-Hubbard transiton is taking place in the Rb adsorbed region. Photoelectron microscopy images of the inhomogeneously Rb adsorbed surface are presented as well as photoelectron spectra at sites with different alkali metal concentrations

  9. Application of high-resolution photoelectron spectroscopy: Vibrational resolved C 1s and O 1s spectra of CO adsorbed on Ni(100)

    Energy Technology Data Exchange (ETDEWEB)

    Foehlisch, A.; Nilsson, A.; Martensson, N. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    There are various effects which determine the line shape of a core-level electron spectrum. These are due to the finite life-time of the core hole, inelastic scattering of the outgoing photoelectron, electronic shake-up and shake-off processes and vibrational excitations. For free atoms and molecules the different contributions to the observed line shapes can often be well separated. For solids, surfaces and adsorbates the line shapes are in general much broader and it has in the past been assumed that no separation of the various contributions can be made. In the present report the authors will show that this is indeed not the case. Surprisingly, the vibrational fine structure of CO adsorbed on Ni(100) can be resolved in the C 1s and O 1s electron spectra. This was achieved by the combination of highly monochromatized soft X-rays from B18.0 with a high resolution Scienta 200 mm photoelectron spectrometer. X-ray photoelectron spectroscopy (XPS) with tunable excitation energy yields as a core level spectroscopy atomic and site-specific information. The presented measurements allow for a determination of internuclear distances and potential energy curves in corehole ionized adsorbed molecules. The authors analysis of the c(2x2) phase CO/Ni(100) on {open_quotes}top{close_quotes} yielded a vibrational splitting of 217 +/- 2 meV for C 1s ionization. For O 1s ionization a splitting of 173 +/- 8 meV was found.

  10. Al capping layers for nondestructive x-ray photoelectron spectroscopy analyses of transition-metal nitride thin films

    Energy Technology Data Exchange (ETDEWEB)

    Greczynski, Grzegorz, E-mail: grzgr@ifm.liu.se; Hultman, Lars [Thin Film Physics Division, Department of Physics (IFM), Linköping University, SE-581 83 Linköping (Sweden); Petrov, Ivan [Thin Film Physics Division, Department of Physics (IFM), Linköping University, SE-581 83 Linköping, Sweden and Materials Science Department and Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801 (United States); Greene, J. E. [Thin Film Physics Division, Department of Physics (IFM), Linköping University, SE-581 83 Linköping (Sweden); Materials Science Department and Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801(United States); Department of Physics, University of Illinois, Urbana, Illinois 61801 (United States)

    2015-09-15

    X-ray photoelectron spectroscopy (XPS) compositional analyses of materials that have been air exposed typically require ion etching in order to remove contaminated surface layers. However, the etching step can lead to changes in sample surface and near-surface compositions due to preferential elemental sputter ejection and forward recoil implantation; this is a particular problem for metal/gas compounds and alloys such as nitrides and oxides. Here, the authors use TiN as a model system and compare XPS analysis results from three sets of polycrystalline TiN/Si(001) films deposited by reactive magnetron sputtering in a separate vacuum chamber. The films are either (1) air-exposed for ≤10 min prior to insertion into the ultrahigh-vacuum (UHV) XPS system; (2) air-exposed and subject to ion etching, using different ion energies and beam incidence angles, in the XPS chamber prior to analysis; or (3) Al-capped in-situ in the deposition system prior to air-exposure and loading into the XPS instrument. The authors show that thin, 1.5–6.0 nm, Al capping layers provide effective barriers to oxidation and contamination of TiN surfaces, thus allowing nondestructive acquisition of high-resolution core-level spectra representative of clean samples, and, hence, correct bonding assignments. The Ti 2p and N 1s satellite features, which are sensitive to ion bombardment, exhibit high intensities comparable to those obtained from single-crystal TiN/MgO(001) films grown and analyzed in-situ in a UHV XPS system and there is no indication of Al/TiN interfacial reactions. XPS-determined N/Ti concentrations acquired from Al/TiN samples agree very well with Rutherford backscattering and elastic recoil analysis results while ion-etched air-exposed samples exhibit strong N loss due to preferential resputtering. The intensities and shapes of the Ti 2p and N 1s core level signals from Al/TiN/Si(001) samples do not change following long-term (up to 70 days) exposure to ambient conditions

  11. Flexible Acyclic Polyol-Chloride Anion Complexes and Their Characterization by Photoelectron Spectroscopy and Variable Temperature Binding Constant Determinations.

    Science.gov (United States)

    Shokri, Alireza; Wang, Xue-Bin; Wang, Yanping; O'Doherty, George A; Kass, Steven R

    2016-03-17

    Flexible acyclic alcohols with one to five hydroxyl groups were bound to a chloride anion and these complexes were interrogated by negative ion photoelectron spectroscopy and companion density functional theory computations. The resulting vertical detachment energies are reproduced on average to 0.10 eV by M06-2X/aug-cc-pVTZ predictions and range from 4.45-5.96 eV. These values are 0.84-2.35 eV larger than the adiabatic detachment energy of Cl(-) as a result of the larger hydrogen bond networks in the bigger polyols. Adiabatic detachment energies of the alcohol-Cl(-) clusters are more difficult to determine both experimentally and computationally. This is due to the large geometry changes that occur upon photodetachment and the large bond dissociation energy of H-Cl which enables the resulting chlorine atom to abstract a hydrogen from any of the methylene (CH2) or methine (CH) positions. Both ionic and nonionic hydrogen bonds (i.e., OH···Cl(-) and OH···OH···Cl(-)) form in the larger polyols complexes and are found to be energetically comparable. Subtle structural differences, consequently can lead to the formation of different types of hydrogen bonds, and maximizing the ionic ones is not always preferred. Solution equilibrium binding constants between the alcohols and tetrabutylammonium chloride (TBACl) in acetonitrile at -24.2, +22.0, and +53.6 °C were also determined. The free energies of association are nearly identical for all of the substrates (i.e., ΔG° = -2.8 ± 0.7 kcal mol(-1)). Compensating enthalpy and entropy values reveal, contrary to expectation and the intrinsic gas-phase preferences, that the bigger systems with more hydroxyl groups are entropically favored and enthalpically disfavored relative to the smaller species. This suggests that more solvent molecules are released upon binding TBACl to alcohols with more hydroxyl groups and is consistent with the measured negative heat capacities. These quantities increase with molecular

  12. Flexible Acyclic Polyol-Chloride Anion Complexes and Their Characterization by Photoelectron Spectroscopy and Variable Temperature Binding Constant Determinations

    Energy Technology Data Exchange (ETDEWEB)

    Shokri, Alireza; Wang, Xue B.; Wang, Yangping; O' Doherty, George A.; Kass, Steven R.

    2016-03-17

    Flexible acyclic alcohols with 1–5 hydroxyl groups were bound to chloride anion and these complexes were interrogated by negative ion photoelectron spectroscopy and companion density functional theory computations. The resulting vertical detachment energies are reproduced on average to 0.10 eV by M06-2X/aug-cc-pVTZ predictions and range from 4.45 – 5.96 eV. These values are 0.84 – 2.35 eV larger than the adiabatic detachment energy of Cl– as a result of the larger hydrogen bond networks in the bigger polyols. Adiabatic detachment energies of the alcohol–Cl– clusters are more difficult to determine both experimentally and computationally. This is due to the large geometry changes that occur upon photodetachment and the large bond dissociation energy of H–Cl which enables the resulting chlorine atom to abstract a hydrogen from any of the methylene (CH2) or methine (CH) positions. Both ionic and non-ionic hydrogen bonds (i.e., OH•••Cl– and OH•••OH•••Cl–) form in the larger polyols complexes, and are found to be energetically comparable. Subtle structural differences, consequently can lead to the formation of different types of hydrogen bonds and maximizing the ionic ones is not always preferred. Solution equilibrium binding constants between the alcohols and tetrrabuylammonium chloride (TBACl) in acetonitrile at -24.2, 22.0, and 53.6 °C were also determined. The free energies of association are nearly identical for all of the substrates (i.e., ΔG° = -2.8 ± 0.7 kcal mol–1). Compensating enthalpy and entropy values reveal, contrary to expectation and the intrinsic gas-phase preferences, that the bigger systems with more hydroxyl groups are entropically favored and enthalpically disfavored relative to the smaller species. This suggests that more solvent molecules are released upon binding TBACl to alcohols with more hydroxyl groups and is consistent with the measured negative heat capacities. These quantities increase with

  13. Probing the structures and chemical bonding of boron-boronyl clusters using photoelectron spectroscopy and computational chemistry: B4(BO)(n)- (n = 1-3).

    Science.gov (United States)

    Chen, Qiang; Zhai, Hua-Jin; Li, Si-Dian; Wang, Lai-Sheng

    2012-07-28

    The electronic and structural properties of a series of boron oxide clusters, B(5)O(-), B(6)O(2)(-), and B(7)O(3)(-), are studied using photoelectron spectroscopy and density functional calculations. Vibrationally resolved photoelectron spectra are obtained, yielding electron affinities of 3.45, 3.54, and 4.94 eV for the corresponding neutrals, B(5)O, B(6)O(2), and B(7)O(3), respectively. Structural optimizations show that these oxide clusters can be formulated as B(4)(BO)(n)(-) (n = 1-3), which involve boronyls coordinated to a planar rhombic B(4) cluster. Chemical bonding analyses indicate that the B(4)(BO)(n)(-) clusters are all aromatic species with two π electrons. PMID:22852618

  14. Photoelectron spectroscopy of aqueous solutions: Streaming potentials of NaX (X = Cl, Br, and I) solutions and electron binding energies of liquid water and X−

    International Nuclear Information System (INIS)

    The streaming potentials of liquid beams of aqueous NaCl, NaBr, and NaI solutions are measured using soft X-ray, He(I), and laser multiphoton ionization photoelectron spectroscopy. Gaseous molecules are ionized in the vicinity of liquid beams and the photoelectron energy shifts are measured as a function of the distance between the ionization point and the liquid beam. The streaming potentials change their polarity with concentration of electrolytes, from which the singular points of concentration eliminating the streaming potentials are determined. The streaming currents measured in air also vanish at these concentrations. The electron binding energies of liquid water and I−, Br−, and Cl− anions are revisited and determined more accurately than in previous studies

  15. Extraction of electron–ion differential scattering cross sections for C2H4 by laser-induced rescattering photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Wang, C.; Okunishi, M.; Lucchese, R. R.;

    2012-01-01

    We have measured angle-resolved rescattering electron momentum distributions for C2H4 generated by intense infrared laser pulses and extracted large-angle elastic differential cross sections (DCSs) for electrons scattering from C2H4+. The angle-dependent ionization rate describing the initial sin...

  16. Angle-resolved 2D imaging of electron emission processes in atoms and molecules

    International Nuclear Information System (INIS)

    A variety of electron emission processes have been studied in detail for both atomic and molecular systems, using a highly efficient experimental system comprising two time-of-flight (TOF) rotatable electron energy analyzers and a 3rd generation synchrotron light source. Two examples are used here to illustrate the obtained results. Firstly, electron emissions in the HCL molecule have been mapped over a 14 eV wide photon energy range over the Cl 2p ionization threshold. Particular attention is paid to the dissociative core-excited states, for which the Auger electron emission shows photon energy dependent features. Also, the evolution of resonant Auger to the normal Auger decay distorted by post-collision interaction has been observed and the resonating behavior of the valence photoelectron lines studied. Secondly, an atomic system, neon, in which excitation of doubly excited states and their subsequent decay to various accessible ionic states has been studied. Since these processes only occurs via inter-electron correlations, the many body dynamics of an atom can be probed, revealing relativistic effects, surprising in such a light atom. Angular distribution of the decay of the resonances to the parity unfavored continuum exhibits significant deviation from the LS coupling predictions

  17. Investigation of Oxygen Vacancy and Interstitial Oxygen Defects in ZnO Films by Photoluminescence and X-Ray Photoelectron Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    FAN Hai-Bo; YANG Shao-Yan; ZHANG Pan-Feng; WEI Hong-Yuan; LIU Xiang-Lin; JIAO Chun-Mei; ZHU Qin-Sheng; CHEN Yong-Hai; WANG Zhan-Guo

    2007-01-01

    ZnO films prepared at different temperatures and annealed at 900 C in oxygen are studied by photoluminescence (PL) and x-ray photoelectron spectroscopy (XPS). It is observed that in the PL of the as-grown films the green luminescence (GL) and the yellow luminescence (YL) are related, and after annealing the GL is restrained and the YL is enhanced. The O 1s XPS results also show the coexistence of oxygen vacancy (Vo) and interstitial oxygen (Oi) before annealing and the quenching of the Vo after annealing. By combining the two results it is deduced that the GL and YL are related to the Vo and Oi defects, respectively.

  18. Electron-hole recombination on ZnO(0001) single-crystal surface studied by time-resolved soft X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yukawa, R.; Yamamoto, S.; Ogawa, M.; Yamamoto, Sh.; Fujikawa, K.; Hobara, R.; Matsuda, I., E-mail: imatsuda@issp.u-tokyo.ac.jp [Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Ozawa, K. [Department of Chemistry and Materials Science, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551 (Japan); Emori, M.; Sakama, H. [Department of Physics, Sophia University, Chiyoda-ku, Tokyo 102-8554 (Japan); Kitagawa, S.; Daimon, H. [Nara Institute of Science and Technology (NAIST), Ikoma, Nara 630-0192 (Japan)

    2014-10-13

    Time-resolved soft X-ray photoelectron spectroscopy (PES) experiments were performed with time scales from picoseconds to nanoseconds to trace relaxation of surface photovoltage on the ZnO(0001) single crystal surface in real time. The band diagram of the surface has been obtained numerically using PES data, showing a depletion layer which extends to 1 μm. Temporal evolution of the photovoltage effect is well explained by a recombination process of a thermionic model, giving the photoexcited carrier lifetime of about 1 ps at the surface under the flat band condition. This lifetime agrees with a temporal range reported by the previous time-resolved optical experiments.

  19. Study by X-ray photoelectron spectroscopy (XPS) and radiochemistry (Cl36) of the interaction of chloride ions with a passive film formed on nickel

    International Nuclear Information System (INIS)

    This research thesis reports the study of the influence of chlorides on nickel passivation by using a radiochemical method based on the use of the Cl36 isotope and the X-ray photoelectron spectroscopy (XPS). The first one allows the in-situ determination of the adsorption of chlorides on the surface, or their inclusion in surface films during the electrochemical treatment. The XPS analysis allows the characterization of modifications induced by chlorides in passive films. The obtained results allow a better understanding in the interpretation of the mechanisms of corrosion induced by chloride ions

  20. X-ray photoelectron spectroscopy investigation of the Schottky barrier at low-k a-SiO(C):H/Cu interfaces

    International Nuclear Information System (INIS)

    In order to understand the fundamental mechanisms involved in electrical leakage in low-k/Cu interconnects, we have utilized x-ray photoelectron spectroscopy to determine the Schottky barrier present at interfaces formed by plasma enhanced chemical vapor deposition of low-k a-SiOxCy:H thin films on polished Cu substrates. We find the Schottky Barrier at this interface to range widely from 1 to >4 eV and to be dependent on the amount of network carbon incorporated into the a-SiOC:H thin films.

  1. Complementary low energy ion scattering and X-ray photoelectron spectroscopy characterization of polystyrene submitted to N{sub 2}/H{sub 2} glow discharge

    Energy Technology Data Exchange (ETDEWEB)

    Bonatto, F., E-mail: bonatto02@yahoo.com.br [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil); Rovani, S. [Universidade de Caxias do Sul, Caxias do Sul, Rio Grande do Sul 95070-560 (Brazil); Kaufmann, I.R.; Soares, G.V. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil); Baumvol, I.J.R. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil); Universidade de Caxias do Sul, Caxias do Sul, Rio Grande do Sul 95070-560 (Brazil); Krug, C. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil)

    2012-02-15

    Low energy ion scattering (LEIS) and X-ray photoelectron spectroscopy (XPS) were used to access the elemental composition and chemical bonding characteristics of polystyrene (PS) surfaces sequentially treated by corona and glow discharge (plasma) processing in N{sub 2}/H{sub 2} ambient. The latter has shown activity as suppressor of pathogenic Staphylococcus epidermidis biofilms. LEIS indicated that oxygen from the corona discharge process is progressively replaced by nitrogen at the PS surface. XPS shows C=N and N-C=O chemical groups as significant inhibitors of bacterial adhesion, suggesting application in medical devices.

  2. Zero kinetic energy-pulsed field ionization and resonance enhanced multiphoton ionization photoelectron spectroscopy: ionization dynamics of Rydberg states in HBr.

    OpenAIRE

    Wales, N.P.L.; Buma, W.J.; Lange; Lefebvre-Brion, H.; Wang, K.; McKoy, V.

    1996-01-01

    The results of rotationally resolved resonance enhanced multiphoton ionization photoelectron spectroscopy and zero kinetic energy‐pulsed field ionization studies on HBr via various rotational levels of the F^ 1Δ_2 and f^ 3Δ_2 Rydberg states are reported. These studies lead to an accurate determination of the lowest ionization threshold as 94 098.9±1 cm^(−1). Observed rotational and spin–orbit branching ratios are compared to the results of ab initio calculations. The differences between theor...

  3. X-ray photoelectron spectroscopy studies of Ag-doped thin amorphous Ge{sub x}Sb{sub 40-x}S{sub 60} films

    Energy Technology Data Exchange (ETDEWEB)

    Debnath, R.K.; Fitzgerald, A.G.; Christova, K

    2002-12-30

    X-ray photoelectron spectroscopy has been used to determine the binding energies of the core electrons in Ag-doped amorphous thin Ge{sub x}Sb{sub 40-x}S{sub 60} films (x=15, 20, 25 and 27). Chemical shifts of the constituent elements have revealed that electrons are transferred from chalcogenide to metal and compounds such as Ag{sub 2}S and Ag{sub 2}O are likely to foue to photo-induced chemical modification and oxidation, respectively. Charge defects are induced in the amorphous system.

  4. X-ray photoelectron spectroscopy analysis for undegraded and degraded Gd2O2S:Tb3+ phosphor thin films

    International Nuclear Information System (INIS)

    This paper presents the X-ray Photoelectron Spectroscopy (XPS) analysis for the undegraded and degraded Gd2O2S:Tb3+ thin film phosphor. The thin films were grown with the pulsed laser deposition (PLD) technique. XPS measurements were done on Gd2O2S:Tb3+ phosphor thin films before and after electron degradation. The XPS technique has proven the presence of Gd2O3 on the degraded and undegraded thin film spots. The presence of the SO2 bonding was also detected after degradation. This clearly indicates that surface reactions did occur during prolonged electron bombardment in an oxygen atmosphere.

  5. A photoelectron spectroscopy study of the electronic structure evolution in CuInSe{sub 2}-related compounds at changing copper content

    Energy Technology Data Exchange (ETDEWEB)

    Kuznetsova, T. V.; Grebennikov, V. I. [Institute of Metal Physics, UB RAS, 620041 Ekaterinburg (Russian Federation); Zhao, H. [Department of Materials Science and Engineering, Royal Institute of Technology, SE-100 44 Stockholm (Sweden); Derks, C.; Taubitz, C.; Neumann, M. [University of Osnabrueck, D-49069 Osnabrueck (Germany); Persson, C. [Department of Materials Science and Engineering, Royal Institute of Technology, SE-100 44 Stockholm (Sweden); Department of Physics, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway); Kuznetsov, M. V. [Institute of Solid State Chemistry, UB RAS, 620990 Ekaterinburg (Russian Federation); Urals Federal University, 19 Mira Str., Ekaterinburg 620002 (Russian Federation); Bodnar, I. V. [Department of Chemistry, Belarusian State University of Informatics and Radioelectronics, P. Brovka 6, 220027 Minsk (Belarus); Martin, R. W.; Yakushev, M. V. [Department of Physics, SUPA, Strathclyde University, G4 0NG Glasgow (United Kingdom)

    2012-09-10

    Evolution of the valence-band structure at gradually increasing copper content has been analysed by x-ray photoelectron spectroscopy (XPS) in In{sub 2}Se{sub 3}, CuIn{sub 5}Se{sub 8}, CuIn{sub 3}Se{sub 5}, and CuInSe{sub 2} single crystals. A comparison of these spectra with calculated total and angular-momentum resolved density-of-states (DOS) revealed the main trends of this evolution. The formation of the theoretically predicted gap between the bonding and non-bonding states has been observed in both experimental XPS spectra and theoretical DOS.

  6. A photoelectron spectroscopy study of the electronic structure evolution in CuInSe2-related compounds at changing copper content

    International Nuclear Information System (INIS)

    Evolution of the valence-band structure at gradually increasing copper content has been analysed by x-ray photoelectron spectroscopy (XPS) in In2Se3, CuIn5Se8, CuIn3Se5, and CuInSe2 single crystals. A comparison of these spectra with calculated total and angular-momentum resolved density-of-states (DOS) revealed the main trends of this evolution. The formation of the theoretically predicted gap between the bonding and non-bonding states has been observed in both experimental XPS spectra and theoretical DOS.

  7. Photoelectron Spectroscopy and Electronic Structure Calculations of d1 Vanadocene Compounds with Chelated Dithiolate Ligands: Implications for Pyranopterin Mo/W Enzymes

    OpenAIRE

    Cranswick, Matthew A.; Dawson, Alice; Cooney, J. Jon A.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Enemark, John H.

    2007-01-01

    Gas-phase photoelectron spectroscopy and density functional theory have been used to investigate the electronic structures of open-shell bent vanadocene compounds with chelating dithiolate ligands, which are minimum molecular models of the active sites of pyranopterin Mo/W enzymes. The compounds Cp2V(dithiolate) [where dithiolate is 1,2-ethenedithiolate (S2C2H2) or 1,2-benzenedithiolate (bdt), and Cp is cyclopentadienyl] provide access to a 17-electron, d1 electron configuration at the metal ...

  8. Dynamic secondary ion mass spectrometry and X-ray photoelectron spectroscopy on artistic bronze and copper artificial patinas

    International Nuclear Information System (INIS)

    To prevent the natural processes of decay and to develop and improve the treatments of conservation and restoration of artistic bronzes meaning statues and sculptures, it is important understanding the patination processes and the knowledge of artificially corroded surfaces. Chemical and physical characterization of artificial patinas obtained on artistic bronzes and coppers by using the 19th century Western traditional patination techniques and recipes by means of SEM-EDS, light microscopy and ATR/FT-IR has been done in previous studies [I.Z. Balta, L. Robbiola, Characterization of artificial black patinas on artistic cast bronze and pure copper by using SEM-EDS and light microscopy, in: Proceedings of the 13th European Microscopy Congress, 22-27 August 2004, Antwerp, Belgium, EMC 2004 CD-Rom Conference Preprints; I.Z. Balta, L. Robbiola, Traditional artificial artistic bronze and copper patinas-an investigation by SEM-EDS and ATR/FT-IR, in: Proceedings of the 8th International Conference on Non Destructive Investigations and Microanalysis for the Diagnostics and Conservation of the Cultural and Environmental Heritage, 15-19 May 2005, Lecce, Italy, ART'05 CD-Rom Conference Preprints]. Differences in morphology (structure, thickness, porosity, adherence, compactity, uniformity, homogeneity) and also in composition, on both artistic cast bronze and pure copper patinas, were clearly evidenced. Further in-depth investigation is required to be carried out in order to better understand the patinas mechanisms of formation and the layers kinetics of growth. The elemental and chemical analysis, either on a surface monolayer or in a depth profile, by using the Secondary Ion Mass Spectrometry (SIMS) and X-ray Photoelectron Spectroscopy (XPS) techniques, can provide this kind of information, unique at trace-level sensitivity. SIMS has proved to be a suitable analytical technique for analyzing small amounts of material with high atomic sensitivity (ppm or even ppb) and high

  9. Dynamic secondary ion mass spectrometry and X-ray photoelectron spectroscopy on artistic bronze and copper artificial patinas

    Science.gov (United States)

    Balta, I. Z.; Pederzoli, S.; Iacob, E.; Bersani, M.

    2009-04-01

    To prevent the natural processes of decay and to develop and improve the treatments of conservation and restoration of artistic bronzes meaning statues and sculptures, it is important understanding the patination processes and the knowledge of artificially corroded surfaces. Chemical and physical characterization of artificial patinas obtained on artistic bronzes and coppers by using the 19th century Western traditional patination techniques and recipes by means of SEM-EDS, light microscopy and ATR/FT-IR has been done in previous studies [I.Z. Balta, L. Robbiola, Characterization of artificial black patinas on artistic cast bronze and pure copper by using SEM-EDS and light microscopy, in: Proceedings of the 13th European Microscopy Congress, 22-27 August 2004, Antwerp, Belgium, EMC 2004 CD-Rom Conference Preprints; I.Z. Balta, L. Robbiola, Traditional artificial artistic bronze and copper patinas—an investigation by SEM-EDS and ATR/FT-IR, in: Proceedings of the 8th International Conference on Non Destructive Investigations and Microanalysis for the Diagnostics and Conservation of the Cultural and Environmental Heritage, 15-19 May 2005, Lecce, Italy, ART'05 CD-Rom Conference Preprints]. Differences in morphology (structure, thickness, porosity, adherence, compactity, uniformity, homogeneity) and also in composition, on both artistic cast bronze and pure copper patinas, were clearly evidenced. Further in-depth investigation is required to be carried out in order to better understand the patinas mechanisms of formation and the layers kinetics of growth. The elemental and chemical analysis, either on a surface monolayer or in a depth profile, by using the Secondary Ion Mass Spectrometry (SIMS) and X-ray Photoelectron Spectroscopy (XPS) techniques, can provide this kind of information, unique at trace-level sensitivity. SIMS has proved to be a suitable analytical technique for analyzing small amounts of material with high atomic sensitivity (ppm or even ppb) and high

  10. Extracting the spectral function of the cuprates by a full two-dimensional analysis: Angle-resolved photoemission spectra of Bi2Sr2CuO6

    Energy Technology Data Exchange (ETDEWEB)

    Meevasana, W.

    2010-04-30

    Recently, angle-resolved photoemission spectroscopy (ARPES) has revealed a dispersion anomaly at high binding energy near 0.3-0.5 eV in various families of the high-temperature superconductors. For further studies of this anomaly we present a new two-dimensional fitting-scheme and apply it to high-statistics ARPES data of the strongly-overdoped Bi{sub 2}Sr{sub 2}CuO{sub 6} cuprate superconductor. The procedure allows us to extract the self-energy in an extended energy and momentum range. It is found that the spectral function of Bi{sub 2}Sr{sub 2}CuO{sub 6} can be parameterized using a small set of tight-binding parameters and a weakly-momentum-dependent self-energy up to 0.7 eV in binding energy and over the entire first Brillouin zone. Moreover the analysis gives an estimate of the momentum dependence of the matrix element, a quantity, which is often neglected in ARPES analyses.

  11. 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.

  12. Confirmation of intrinsic electron gap states at nonpolar GaN(1-100) surfaces combining photoelectron and surface optical spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Himmerlich, M., E-mail: marcel.himmerlich@tu-ilmenau.de; Eisenhardt, A.; Shokhovets, S.; Krischok, S. [Institut für Physik and Institut für Mikro- und Nanotechnologien, TU Ilmenau, PF 100565, 98684 Ilmenau (Germany); Räthel, J.; Speiser, E.; Neumann, M. D.; Navarro-Quezada, A.; Esser, N. [Leibniz-Institut für Analytische Wissenschaften - ISAS - e.V., Albert-Einstein-Strasse 9, 12489 Berlin (Germany)

    2014-04-28

    The electronic structure of GaN(1–100) surfaces is investigated in-situ by photoelectron spectroscopy (PES) and reflection anisotropy spectroscopy (RAS). Occupied surface states 3.1 eV below the Fermi energy are observed by PES, accompanied by surface optical transitions found in RAS around 3.3 eV, i.e., below the bulk band gap. These results indicate that the GaN(1–100) surface band gap is smaller than the bulk one due to the existence of intra-gap states, in agreement with density functional theory calculations. Furthermore, the experiments demonstrate that RAS can be applied for optical surface studies of anisotropic crystals.

  13. X-ray photoelectron spectroscopy of Er{sup 3+}-activated SiO{sub 2}-HfO{sub 2} glass-ceramic waveguides

    Energy Technology Data Exchange (ETDEWEB)

    Minati, L; Speranza, G; Micheli, V [FBK via Sommarive 18, Povo, 38100 Trento (Italy); Ferrari, M; Jestin, Y [CNR-IFN, Istituto di Fotonica e Nanotecnologie, CSMFO Lab., Via alla Cascata, 56/C, Povo, 38100 Trento (Italy)], E-mail: luminati@fbk.eu

    2009-01-07

    xHfO{sub 2}-(100 - x) SiO{sub 2} (x = 10, 20, 30 mol%) glass-ceramic planar waveguides doped with 0.3 mol% Er{sup 3+} ions, prepared by the sol-gel route and heat treated at 1000 deg. C to nucleate HfO{sub 2} crystals, were analysed by x-ray photoelectron spectroscopy, x-ray diffraction, high resolution transmission electron microscopy and photoluminescence spectroscopy. Formation of tetragonal HfO{sub 2} nanocrystals has been evidenced in all the samples. Spectroscopic parameters concerning the {sup 4}I{sub 13/2} metastable state of Er{sup 3+}ion are revisited as a function of XPS analysis.

  14. Hard X-ray photoelectron spectroscopy (HAXPES) (15 keV) at SpLine, the Spanish CRG beamline at the ESRF

    International Nuclear Information System (INIS)

    In this contribution we present the actual status of the SpLine project devoted to the implementation of hard (15 keV) X-ray photoelectron spectroscopy (HAXPES) in combination with surface X-ray diffraction (SXRD) at the Spanish CRG beamline (SpLine) at the European Synchrotron Radiation Facility (ESRF). The beamline is located at the bending magnet D25 at the ESRF and can be operated in the X-ray energy range 5-45 keV. The main project goals are the detection of very high kinetic energy photoelectrons up to 15 keV, in particular the simultaneous detection of the diffracted photons and photo-emitted electrons. Therefore, special effort has been devoted to develop a novel electron analyzer, capable of working at very high as well as low energies. The analyzer is a sector of a Cylindrical Mirror Analyzer (CSA300HV) with a five-elements retarding-lens system and a very compact size compared to standard hemispherical analyzers. Additionally, an ultra-high-vacuum system has been constructed which will simultaneously fulfill the requirements for HAXPES and SXRD. The vacuum chamber has two Be windows so that the in-coming and out-going X-ray beam will hit the sample and the X-ray detector, respectively. The complete system will be installed on a massive 2S+3D diffractometer. Photoelectron spectroscopy and SXRD can be operated either simultaneously or independently from each other. Test experiments with a UV discharge lamp and a RHEED electron gun have been conducted demonstrating that the analyzer performs satisfactorily. The whole set-up is in the commissioning phase and full operation is expected in the course of 2005

  15. Adsorption and deposition of anthraquinone-2-carboxylic acid on alumina studied by inelastic electron tunneling spectroscopy, infrared reflection absorption spectroscopy, X-ray photoelectron spectroscopy, and atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Higo, Morihide [Department of Applied Chemistry and Chemical Engineering, Faculty of Engineering, Kagoshima University, 1-21-40 Korimoto, Kagoshima 890-0065 (Japan)], E-mail: higo@apc.kagoshima-u.ac.jp; Miake, Takeshi; Mitsushio, Masaru; Yoshidome, Toshifumi [Department of Applied Chemistry and Chemical Engineering, Faculty of Engineering, Kagoshima University, 1-21-40 Korimoto, Kagoshima 890-0065 (Japan); Ozono, Yoshihisa [Center for Instrumental analysis, Kagoshima University, 1-21-40 Korimoto, Kagoshima 890-0065 (Japan)

    2008-04-30

    The adsorption state of anthraquinone-2-carboxylic acid (AQ-2-COOH) deposited from acetone solutions (0.01-1.00 mg/ml) on native oxide surfaces of Al films was characterized by inelastic electron tunneling spectroscopy, infrared reflection absorption spectroscopy, and X-ray photoelectron spectroscopy. The oxide was prepared on evaporated Al films at room temperature in an oxygen-dc glow discharge. The morphology of the deposited AQ-2-COOH on the oxide surfaces was observed and analyzed by atomic force microscopy. These surface analyses showed that AQ-2-COOH is adsorbed predominantly as a uniform nanometer-scale film of carboxylate anions on the oxide surfaces deposited from solutions with concentrations lower than or equal to 0.02 mg/ml. It was found that AQ-2-COOH is adsorbed as both a uniform film of anions and as micron-sized particles of neutral molecules with heights of a few tens of nanometers when AQ-2-COOH is deposited from solutions with concentrations higher than 0.02 mg/ml. A comparison of the results obtained by these surface analytical techniques clearly shows the features and advantages of these analytical techniques.

  16. Adsorption and deposition of anthraquinone-2-carboxylic acid on alumina studied by inelastic electron tunneling spectroscopy, infrared reflection absorption spectroscopy, X-ray photoelectron spectroscopy, and atomic force microscopy

    International Nuclear Information System (INIS)

    The adsorption state of anthraquinone-2-carboxylic acid (AQ-2-COOH) deposited from acetone solutions (0.01-1.00 mg/ml) on native oxide surfaces of Al films was characterized by inelastic electron tunneling spectroscopy, infrared reflection absorption spectroscopy, and X-ray photoelectron spectroscopy. The oxide was prepared on evaporated Al films at room temperature in an oxygen-dc glow discharge. The morphology of the deposited AQ-2-COOH on the oxide surfaces was observed and analyzed by atomic force microscopy. These surface analyses showed that AQ-2-COOH is adsorbed predominantly as a uniform nanometer-scale film of carboxylate anions on the oxide surfaces deposited from solutions with concentrations lower than or equal to 0.02 mg/ml. It was found that AQ-2-COOH is adsorbed as both a uniform film of anions and as micron-sized particles of neutral molecules with heights of a few tens of nanometers when AQ-2-COOH is deposited from solutions with concentrations higher than 0.02 mg/ml. A comparison of the results obtained by these surface analytical techniques clearly shows the features and advantages of these analytical techniques

  17. In situ study of an oxidation reaction on a Pt/C electrode by ambient pressure hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Takagi, Yasumasa, E-mail: ytakagi@ims.ac.jp; Uemura, Yohei; Yokoyama, Toshihiko [Department of Molecular Structure, Institute for Molecular Science, Myodaiji-cho, Okazaki, Aichi 444-8585 (Japan); The Graduate University for Advanced Studies (SOKENDAI), Myodaiji-cho, Okazaki, Aichi 444-8585 (Japan); Wang, Heng [Department of Molecular Structure, Institute for Molecular Science, Myodaiji-cho, Okazaki, Aichi 444-8585 (Japan); Ikenaga, Eiji; Ohashi, Haruhiko; Senba, Yasunori; Yumoto, Hirokatsu; Yamazaki, Hiroshi; Goto, Shunji [Japan Synchrotron Radiation Research Institute, SPring-8, Koto, Sayo, Hyogo 679-5198 (Japan); Sekizawa, Oki; Iwasawa, Yasuhiro [Innovation Research Center for Fuel Cells, The University of Electro-Communications, Chofugaoka, Chofu, Tokyo 182-8585 (Japan); Uruga, Tomoya [Japan Synchrotron Radiation Research Institute, SPring-8, Koto, Sayo, Hyogo 679-5198 (Japan); Innovation Research Center for Fuel Cells, The University of Electro-Communications, Chofugaoka, Chofu, Tokyo 182-8585 (Japan); Tada, Mizuki [Research Center for Materials Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602 (Japan)

    2014-09-29

    We have constructed an ambient pressure X-ray photoelectron spectroscopy instrument that uses hard X-ray radiation at the high-performance undulator beamline BL36XU of SPring-8. The dependence of the Au 4f peak intensity from Au foil on the ambient N{sub 2} pressure was measured. At a photon energy of 7.94 keV, the Au 4f peak intensity maintained 40% at 3000 Pa compared with that at high vacuum. We designed a polymer electrolyte fuel cell that allows us to perform X-ray photoelectron spectroscopy measurements of an electrode under working conditions. The oxidized Pt peaks were observed in the Pt 3d{sub 5/2} level of Pt nanoparticles in the cathode, and the peaks clearly depended on the applied voltage between the anode and cathode. Our apparatus can be applied as a valuable in situ tool for the investigation of the electronic states and adsorbed species of polymer electrolyte fuel cell electrode catalysts under the reaction conditions.

  18. Spectral data of specular reflectance, narrow-angle transmittance and angle-resolved surface scattering of materials for solar concentrators

    Directory of Open Access Journals (Sweden)

    Philipp Good

    2016-03-01

    Full Text Available The spectral specular reflectance of conventional and novel reflective materials for solar concentrators is measured with an acceptance angle of 17.5 mrad over the wavelength range 300−2500 nm at incidence angles 15–60° using a spectroscopic goniometry system. The same experimental setup is used to determine the spectral narrow-angle transmittance of semi-transparent materials for solar collector covers at incidence angles 0–60°. In addition, the angle-resolved surface scattering of reflective materials is recorded by an area-scan CCD detector over the spectral range 350–1050 nm. A comprehensive summary, discussion, and interpretation of the results are included in the associated research article “Spectral reflectance, transmittance, and angular scattering of materials for solar concentrators” in Solar Energy Materials and Solar Cells.

  19. Angle-resolved light scattering of individual rod-shaped bacteria based on Fourier transform light scattering

    Science.gov (United States)

    Jo, Youngju; Jung, Jaehwang; Lee, Jee Woong; Shin, Della; Park, Hyunjoo; Nam, Ki Tae; Park, Ji-Ho; Park, Yongkeun

    2014-05-01

    Two-dimensional angle-resolved light scattering maps of individual rod-shaped bacteria are measured at the single-cell level. Using quantitative phase imaging and Fourier transform light scattering techniques, the light scattering patterns of individual bacteria in four rod-shaped species (Bacillus subtilis, Lactobacillus casei, Synechococcus elongatus, and Escherichia coli) are measured with unprecedented sensitivity in a broad angular range from -70° to 70°. The measured light scattering patterns are analyzed along the two principal axes of rod-shaped bacteria in order to systematically investigate the species-specific characteristics of anisotropic light scattering. In addition, the cellular dry mass of individual bacteria is calculated and used to demonstrate that the cell-to-cell variations in light scattering within bacterial species is related to the cellular dry mass and growth.

  20. Evidence of the nature of core-level photoemission satellites using angle-resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Moler, E.J.; Kellar, S.A.; Huff, W.R.A. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The authors present a unique method of experimentally determining the angular momentum and intrinsic/extrinsic origin of core-level photoemission satellites by examining the satellite diffraction pattern in the Angle Resolved Photoemission Extended Fine Structure (ARPEFS) mode. They show for the first time that satellite peaks not associated with chemically differentiated atomic species display an ARPEFS intensity oscillation. They present ARPEFS data for the carbon 1s from ({radical}3x{radical}3)R30 CO/Cu(111) and p2mg(2xl)CO/Ni(110), nitrogen 1s from c(2x2) N{sub 2}/Ni(100), cobalt 1s from p(1x1)Co/Cu(100), and nickel 3p from clean nickel (111). The satellite peaks and tails of the Doniach-Sunjic line shapes in all cases exhibit ARPEFS curves which indicate an angular momentum identical to the main peak and are of an intrinsic nature.

  1. The orbital structure of {pi}-conjugated organic molecules on metal surfaces probed by angle-resolved photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Ziroff, Johannes; Wiessner, Michael; Forster, Frank; Schoell, Achim [Universitaet Wuerzburg, Experimentelle Physik VII, D-97074 Wuerzburg (Germany); Puschnig, Peter [University of Leoben, Chair of Atomistic Modelling and Design of Materials, A-8700 Leoben (Austria); Reinert, Friedrich [Universitaet Wuerzburg, Experimentelle Physik VII, D-97074 Wuerzburg (Germany); FZ Karlsruhe, Gemeinschaftslabor fuer Nanoanalytik, D-76021 Karlsruhe (Germany)

    2010-07-01

    We present angle resolved photoemission spectra of monolayers of {pi}-conjugated molecules adsorbed on single-crystalline metal surfaces. Comparing the experimental k-dependant intensity distribution of the molecular states to DFT calculations for the free molecule allows to detect sophisticated modifications of the molecular orbitals at the interface. In case of the single-domain system PTCDA on Ag(110) the 2D emission pattern confirms that the now occupied interface state is mainly derived from the former LUMO-orbital. Moreover, a clear contribution of metal states is evident from additional intensity in normal emission. In the contrary, the structure of the molecular HOMO changes only slightly upon chemisorption on Ag surfaces. Additional data on other planar {pi}-conjugated organic molecules such as coronene or NTCDA demonstrates the potential of this approach in analysing the interaction at metal-organic interfaces in great detail.

  2. Symmetric and anti-symmetric magnetic resonances in double-triangle nanoparticle arrays fabricated via angle-resolved nanosphere lithography

    Directory of Open Access Journals (Sweden)

    Jian Pan

    2011-12-01

    Full Text Available We report experimentally that for a particular high-symmetry planar periodic arrangement of metal double-triangle nanoparticle arrays fabricated via angle resolved nanosphere lithography, both anti-symmetric and symmetric magnetic resonances can be explicitly excited at off-normal incidence. Further, we demonstrate that the underlying mechanism for the formation of these two modes is a result of direct interactions with the incident electric and magnetic fields, respectively. As a consequence, with increasing the incident angle there is a relatively small blue-shift in the transmission for the electric-field induced anti-symmetric mode, while a remarkable red-shift is observed for the magnetic-field induced symmetric mode.

  3. Spectral data of specular reflectance, narrow-angle transmittance and angle-resolved surface scattering of materials for solar concentrators.

    Science.gov (United States)

    Good, Philipp; Cooper, Thomas; Querci, Marco; Wiik, Nicolay; Ambrosetti, Gianluca; Steinfeld, Aldo

    2016-03-01

    The spectral specular reflectance of conventional and novel reflective materials for solar concentrators is measured with an acceptance angle of 17.5 mrad over the wavelength range 300-2500 nm at incidence angles 15-60° using a spectroscopic goniometry system. The same experimental setup is used to determine the spectral narrow-angle transmittance of semi-transparent materials for solar collector covers at incidence angles 0-60°. In addition, the angle-resolved surface scattering of reflective materials is recorded by an area-scan CCD detector over the spectral range 350-1050 nm. A comprehensive summary, discussion, and interpretation of the results are included in the associated research article "Spectral reflectance, transmittance, and angular scattering of materials for solar concentrators" in Solar Energy Materials and Solar Cells.

  4. Measurement of Random Surface Parameters by Angle-Resolved In-plane Light Scattering with Constant Perpendicular Wave Vector

    Institute of Scientific and Technical Information of China (English)

    LI Hai-Xia; LIU Chun-Xiang; CHEN Xiao-Yi; ZHANG Mei-Na; CHENG Chuan-Fu

    2011-01-01

    We report the experimental method of angle-resolved in-plane light scattering for random surface parameter extraction. In the measurement of the scattered intensity profile at a certain angle of incidence, the perpendicular component of wave vector remains constant, which is realized by controlling the movement of the detector along a specified circular arc segment. We use the central δ-peak and the half-width of the diffused intensity profiles and their variations to obtain the roughness w, the lateral correlation length ξ and roughness exponent α of the rough surface sample. The measurement copes strictly with the theoretical analysis, and the inherent problem in previous in-plane light scattering experiment is overcome so that the changes of the perpendicular component of wave vector affect the half width a diffused intensity profile and the measurement accuracy.%@@ We report the experimental method of angle-resolved in-plane light scattering for random surface parameter extraction.In the measurement of the scattered intensity profile at a certain angle of incidence, the perpendicular component of wave vector remains constant, which is realized by controlling the movement of the detector along a specified circular arc segment.We use the central S-peak and the half-width of the diffused intensity profiles and their variations to obtain the roughness w, the lateral correlation length ξ and roughness exponent a of the rough surface sample.The measurement copes strictly with the theoretical analysis, and the inherent problem in previous in-plane light scattering experiment is overcome so that the changes of the perpendicular component of wave vector affect the half width a diffused intensity profile and the measurement accuracy.

  5. Interfacial atomic site characterization by photoelectron diffraction for 4H-AlN/4H-SiC(11\\bar{2}0) heterojunction

    Science.gov (United States)

    Maejima, Naoyuki; Horita, Masahiro; Matsui, Hirosuke; Matsushita, Tomohiro; Daimon, Hiroshi; Matsui, Fumihiko

    2016-08-01

    The interfacial atomic structure of an AlN thin film on a nonpolar 4H-SiC(11\\bar{2}0) substrate grown by atomic Al and N plasma deposition was studied by photoelectron diffraction and spectroscopy. The epitaxial growth of the thin film was confirmed by the comparison of element-specific photoelectron intensity angular distributions (PIADs). Depth profiles were analyzed by angle-resolved constant-final-state-mode X-ray photoelectron spectroscopy (AR-XPS). No polar angular dependence was observed in Al 2p spectra, while an additional intermixing component was found in interface-sensitive N 1s spectra. The site-specific N 1s PIADs for the AlN film and an intermixing component were derived from two N 1s PIADs with different binding energies. We attributed the intermixing component to SiN interfacial layer sites. In order to prevent SiN growth at the interface, we deposited Al on the SiC(11\\bar{2}0) substrate prior to the AlN growth. A significant reduction in the amount of intermixing components at the AlN/SiC interface was confirmed by AR-XPS.

  6. Photoelectron Holography

    Science.gov (United States)

    Huismans, Ymkje

    2011-05-01

    New techniques using High Harmonic Generation (HHG) or attosecond pulses have proven to be successful in following the ultrafast motion of electrons and holes inside a molecule,. We introduce a complementary technique; photoelectron holography. This uses the phase and amplitude of the rescattered electrons to encode the structure and dynamics of the studied atom or molecule. Since photoelectron holography benefits from longer wavelengths, i.e. small photon energies, it is very suitable for systems with a small ionization potential. To demonstrate photoelectron holography, both measurements and calculations on atomic Xenon will be shown. Metastable Xenon was ionized with 7 μm light from the FELICE-free electron laser. The three dimensional momentum distribution of the photoelectrons was recorded by a Velocity Map Imaging (VMI)-spectrometer. In these momentum maps interference structures are observed that can be identified as an interference of direct and scattered electrons; a hologram of Xenon. Semi-classical calculations have demonstrated that in the hologram dynamical information of the electron and the atom is stored with a femtosecond to attosecond time resolution. Supervisor: Prof. Dr. M.J.J. Vrakking

  7. Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate

    Science.gov (United States)

    Śmialek, Malgorzata A.; Łabuda, Marta; Guthmuller, Julien; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limão-Vieira, Paulo

    2016-06-01

    The high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5-10.7 eV (275.5-116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the upper stratosphere (20-50 km). Calculations have also been carried out to determine the ionisation energies and fine structure of the lowest ionic state of ethyl acetate and are compared with a newly recorded photoelectron spectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the first photoelectron band of this molecule for the first time.

  8. An investigation of the electronic structure of some 3-monosubstituted-2-methylpropenes through computational chemistry and photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schuquel, Ivania T.A.; Ducati, Lucas C.; Custodio, Rogerio [Chemistry Institute, State University of Campinas, Caixa Postal 6154, 13084-971 Campinas, SP (Brazil); Rittner, Roberto [Chemistry Institute, State University of Campinas, Caixa Postal 6154, 13084-971 Campinas, SP (Brazil)], E-mail: rittner@iqm.unicamp.br; Klapstein, Dieter [Department of Chemistry, St. Francis Xavier University, Antigonish, Nova Scotia, B2G 1C0 (Canada)

    2008-06-16

    The photoelectron (PE) spectra of some 3-monosubstituted 2-methylpropenes H{sub 2}C=C(CH{sub 3})CH{sub 2}X [X = Cl, Br, I, OH, OMe, OEt, SH, SMe, SEt, N(Me){sub 2} and N(Et){sub 2}] have been recorded. A preliminary analysis is presented indicating some trends in the ionization potentials associated with application of OVGF method and NBO analysis from MP2/6-31G(d,p) and cc-pVDZ level of theory indicating that the more effective hyperconjugation effect leads to the most stable conformers. The sensitivity of the outermost ionization energies of selected molecules with respect to the level of theory was analyzed. Application of the CASPT2 method with ANO basis set and geometries from MP2 calculations provided results in excellent agreement with the experimental data.

  9. Structural and X-Ray Photoelectron Spectroscopy Study of Al-Doped Zinc-Oxide Thin Films

    Directory of Open Access Journals (Sweden)

    Bong Ju Lee

    2015-01-01

    Full Text Available Al-doped zinc-oxide (AZO thin films were prepared by RF magnetron sputtering at different oxygen partial pressures and substrate temperatures. The charge-carrier concentrations in the films decreased from 1.69 × 1021 to 6.16 × 1017 cm−3 with increased gas flow rate from 7 to 21 sccm. The X-ray diffraction (XRD patterns show that the (002/(103 peak-intensity ratio decreased as the gas flow rate increased, which was related to the increase of AZO thin film disorder. X-ray photoelectron spectra (XPS of the O1s were decomposed into metal oxide component (peak A and the adsorbed molecular oxygen on thin films (peak B. The area ratio of XPS peaks (A/B was clearly related to the stoichiometry of AZO films; that is, the higher value of A/B showed the higher stoichiometric properties.

  10. Photoelectron spectroscopy of boron-gold alloy clusters and boron boronyl clusters: B3Au(n)(-) and B3(BO)n(-) (n = 1, 2).

    Science.gov (United States)

    Chen, Qiang; Bai, Hui; Zhai, Hua-Jin; Li, Si-Dian; Wang, Lai-Sheng

    2013-07-28

    Photoelectron spectroscopy and density-functional theory are combined to study the structures and chemical bonding in boron-gold alloy clusters and boron boronyl clusters: B3Au(n)(-) and B3(BO)n(-) (n = 1, 2). Vibrationally resolved photoelectron spectra are obtained for all four species and the B-Au and B-BO clusters exhibit similar spectral patterns, with the latter species having higher electron binding energies. The electron affinities of B3Au, B3Au2, B3(BO), and B3(BO)2 are determined to be 2.29 ± 0.02, 3.17 ± 0.03, 2.71 ± 0.02, and 4.44 ± 0.02 eV, respectively. The anion and neutral clusters turn out to be isostructural and isovalent to the B3H(n)(-)∕B3H(n) (n = 1, 2) species, which are similar in bonding owing to the fact that Au, BO, and H are monovalent σ ligands. All B3Au(n)(-) and B3(BO)n(-) (n = 1, 2) clusters are aromatic with 2π electrons. The current results provide new examples for the Au∕H and BO∕H isolobal analogy and enrich the chemistry of boronyl and gold. PMID:23901981

  11. The design and construction of a high-resolution velocity-map imaging apparatus for photoelectron spectroscopy studies of size-selected clusters

    Science.gov (United States)

    León, Iker; Yang, Zheng; Liu, Hong-Tao; Wang, Lai-Sheng

    2014-08-01

    A new velocity-map imaging apparatus equipped with a laser-vaporization supersonic cluster source and a time-of-flight mass spectrometer is described for high-resolution photoelectron spectroscopy studies of size-selected cluster anions. Vibrationally cold anion clusters are produced using a laser-vaporization supersonic cluster source, size-selected by a time-of-flight mass spectrometer, and then focused co-linearly into the interaction zone of the high-resolution velocity-map imaging (VMI) system. The multilens VMI system is optimized via systematic simulations and can reach a resolution of 1.2 cm-1 (FWHM) for near threshold electrons while maintaining photoelectron kinetic energy resolutions (ΔKE/KE) of ˜0.53% for higher energy electrons. The new VMI lens has superior focusing power over a large energy range, yielding highly circular images with distortions no larger than 1.0025 between the long and short radii. The detailed design, simulation, construction, testing, and performance of the high-resolution VMI apparatus are presented.

  12. The design and construction of a high-resolution velocity-map imaging apparatus for photoelectron spectroscopy studies of size-selected clusters

    Energy Technology Data Exchange (ETDEWEB)

    León, Iker; Yang, Zheng; Liu, Hong-Tao; Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu [Department of Chemistry, Brown University, Providence, Rhode Island 02912 (United States)

    2014-08-15

    A new velocity-map imaging apparatus equipped with a laser-vaporization supersonic cluster source and a time-of-flight mass spectrometer is described for high-resolution photoelectron spectroscopy studies of size-selected cluster anions. Vibrationally cold anion clusters are produced using a laser-vaporization supersonic cluster source, size-selected by a time-of-flight mass spectrometer, and then focused co-linearly into the interaction zone of the high-resolution velocity-map imaging (VMI) system. The multilens VMI system is optimized via systematic simulations and can reach a resolution of 1.2 cm{sup −1} (FWHM) for near threshold electrons while maintaining photoelectron kinetic energy resolutions (ΔKE/KE) of ∼0.53% for higher energy electrons. The new VMI lens has superior focusing power over a large energy range, yielding highly circular images with distortions no larger than 1.0025 between the long and short radii. The detailed design, simulation, construction, testing, and performance of the high-resolution VMI apparatus are presented.

  13. Evaluation of valence band top and electron affinity of SiO2 and Si-based semiconductors using X-ray photoelectron spectroscopy

    Science.gov (United States)

    Fujimura, Nobuyuki; Ohta, Akio; Makihara, Katsunori; Miyazaki, Seiichi

    2016-08-01

    An evaluation method for the energy level of the valence band (VB) top from the vacuum level (VL) for metals, dielectrics, and semiconductors from the results of X-ray photoelectron spectroscopy (XPS) is presented for the accurate determination of the energy band diagram for materials of interest. In this method, the VB top can be determined by the energy difference between the onset of VB signals and the cut-off energy for secondary photoelectrons by considering the X-ray excitation energy (hν). The energy level of the VB top for three kinds of Si-based materials (H-terminated Si, wet-cleaned 4H-SiC, and thermally grown SiO2) has been investigated by XPS under monochromatized Al Kα radiation (hν = 1486.6 eV). We have also demonstrated the determination of the electron affinity for the samples by this measurement technique in combination with the measured and reported energy bandgaps (E g).

  14. Time-resolved photoelectron spectroscopy of a dinuclear Pt(II) complex: Tunneling autodetachment from both singlet and triplet excited states of a molecular dianion

    Science.gov (United States)

    Winghart, Marc-Oliver; Yang, Ji-Ping; Vonderach, Matthias; Unterreiner, Andreas-Neil; Huang, Dao-Ling; Wang, Lai-Sheng; Kruppa, Sebastian; Riehn, Christoph; Kappes, Manfred M.

    2016-02-01

    Time-resolved pump-probe photoelectron spectroscopy has been used to study the relaxation dynamics of gaseous [Pt2(μ-P2O5H2)4 + 2H]2- after population of its first singlet excited state by 388 nm femtosecond laser irradiation. In contrast to the fluorescence and phosphorescence observed in condensed phase, a significant fraction of the photoexcited isolated dianions decays by electron loss to form the corresponding monoanions. Our transient photoelectron data reveal an ultrafast decay of the initially excited singlet 1A2u state and concomitant rise in population of the triplet 3A2u state, via sub-picosecond intersystem crossing (ISC). We find that both of the electronically excited states are metastably bound behind a repulsive Coulomb barrier and can decay via delayed autodetachment to yield electrons with characteristic kinetic energies. While excited state tunneling detachment (ESETD) from the singlet 1A2u state takes only a few picoseconds, ESETD from the triplet 3A2u state is much slower and proceeds on a time scale of hundreds of nanoseconds. The ISC rate in the gas phase is significantly higher than in solution, which can be rationalized in terms of changes to the energy dissipation mechanism in the absence of solvent molecules. [Pt2(μ-P2O5H2)4 + 2H]2- is the first example of a photoexcited multianion for which ESETD has been observed following ISC.

  15. ZnO/ZnAl2O4 Nanocomposite Films Studied by X-Ray Diffraction, FTIR, and X-Ray Photoelectron Spectroscopy

    Directory of Open Access Journals (Sweden)

    S. Iaiche

    2015-01-01

    Full Text Available ZnO/ZnAl2O4 nanocomposite films were synthesised by ultrasonic spray pyrolysis (USP by extracting Al2O(SO42 oxide with zinc chloride hydrate in deionised water. The sample was then subjected to heat treatment at 650°C and 700°C for 1 h, which led to the formation of the spinel oxide (ZnAl2O4 and wurtzite (ZnO phases. Al2(SO43·18H2O salt was transformed into aluminum oxide sulfate Al2O(SO42, which is an intermediary decomposition product, by calcination at 795°C for 3 h. The structures of the synthesised ZnO/ZnAl2O4 films were confirmed by XRD, FTIR, and X-ray photoelectron spectroscopy (XPS. XPS spectra of the major Zn, Al, and O photoelectron lines and the major X-ray induced Zn LMM Auger lines for ZnO/ZnAl2O4 are presented.

  16. Characterisation of PEGylated PLGA nanoparticles comparing the nanoparticle bulk to the particle surface using UV/vis spectroscopy, SEC, {sup 1}H NMR spectroscopy, and X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Spek, S.; Haeuser, M. [Institute of Pharmaceutical Technology and Biopharmacy, University of Muenster, Corrensstrasse 48, 48149 Muenster (Germany); Schaefer, M.M. [nanoAnalytics, Heisenbergstrasse 11, 48149 Muenster (Germany); Langer, K., E-mail: k.langer@wwu.de [Institute of Pharmaceutical Technology and Biopharmacy, University of Muenster, Corrensstrasse 48, 48149 Muenster (Germany)

    2015-08-30

    Graphical abstract: - Highlights: • We compared nanoparticles prepared on the basis of PLGA and PEG–PLGA for their polymeric composition in the particle bulk and on the surface. • We validated three analytical methods (UV/vis, SEC, {sup 1}H NMR) for quantification of the polymeric stabiliser PVA and {sup 1}H NMR for the quantification of PEG. • In the case of PEG–PLGA as starting material we observed significant PEG contents not only on the surface but even in the particle bulk. • We observed an unexpected accumulation of the polymeric stabiliser PVA on PEGylated particle surfaces. - Abstract: Hypothesis: The bulk and the surface structure of nanoparticles based on poly(lactic-co-glycolic acid) (PLGA) and PLGA–PEG copolymer is expected to consist of different polymer compositions. An enrichment of hydrophilic PEG on the surface in combination with an accumulation of PLGA in the bulk is anticipated. Hence, the imbalance between bulk and surface composition should be detectable by suitable analytical methods. Experiments: Nanoparticles were assembled using an emulsion-evaporation method with polyvinyl alcohol (PVA) as stabiliser. Mixtures of PLGA and PLGA–PEG copolymer were applied to achieve variably PEGylated nanoparticles. The nanoparticle composition was analysed with respect to PLGA, PVA and PEG, comparing the polymer content of the nanoparticle bulk to the surface. For the bulk, PVA was quantified by a UV/vis spectroscopic method as well as size exclusion chromatography (SEC), and {sup 1}H nuclear magnetic resonance (NMR) spectroscopy. PEG determination of the bulk was carried out using quantitative {sup 1}H NMR spectroscopy. Surface composition was investigated by X-ray photoelectron spectroscopy (XPS). Findings: For the characterisation of the polymer composition {sup 1}H NMR, SEC, and XPS-methods were successfully established and validated. Unexpectedly, a significant PEG content was detected within the particle bulk. The comparison of

  17. Thermodynamic Equilibrium Studies of Nanocrystallite CeO2 Grain Boundaries by High Temperature X-Ray Photoelectron Spectroscopy and Thermal Gravimetric Analysis

    Institute of Scientific and Technical Information of China (English)

    LIU Zhen-Xiang; XIE Kan

    2000-01-01

    Nanostructured CeO2 thin films and powders are studied by high temperature x-ray photoelectron spectroscopy and thermal gravimetric analysis. The results indicate that the surface composition strongly depends on temperature, the surface O/Ce ratio initially increases with increasing temperature, then decreases with the further increase of temperature, the maximum surface O/Ce ratio is at about 300℃ C. The variation of the surface composition with temperature arises from the ion migration, redistribution and transformation between lattice oxygen and gas phase oxygen near the grain boundaries during the thermodynamic equilibrium process. The results also show that CeO2 has a weakly bond oxygen, high oxygen mobility in the bulk and a high molecular dissociation rate at the surface, especially for the sol-gel prepared nanocrystallite CeO2.

  18. High-resolution electron-energy-loss spectroscopy and photoelectron-diffraction studies of the geometric structure of adsorbates on single-crystal metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Rosenblatt, D.H.

    1982-11-01

    Two techniques which have made important contributions to the understanding of surface phenomena are high resolution electron energy loss spectroscopy (EELS) and photoelectron diffraction (PD). EELS is capable of directly measuring the vibrational modes of clean and adsorbate covered metal surfaces. In this work, the design, construction, and performance of a new EELS spectrometer are described. These results are discussed in terms of possible structures of the O-Cu(001) system. Recommendations for improvements in this EELS spectrometer and guidelines for future spectrometers are given. PD experiments provide accurate quantitative information about the geometry of atoms and molecules adsorbed on metal surfaces. The technique has advantages when used to study disordered overlayers, molecular overlayers, multiple site systems, and adsorbates which are weak electron scatterers. Four experiments were carried out which exploit these advantages.

  19. Ammonia plasma treated polyethylene films for adsorption or covalent immobilization of trypsin: quantitative correlation between X-ray photoelectron spectroscopy data and enzyme activity.

    Science.gov (United States)

    Ghasemi, Mahsa; Minier, Michel J G; Tatoulian, Michaël; Chehimi, Mohamed M; Arefi-Khonsari, Farzaneh

    2011-09-01

    The ammonia plasma process was used for generating reactive groups, particularly primary amine functions on the surface of polyethylene (PE) films, to immobilize the enzyme trypsin. The attachment of the enzyme was achieved by directly applying an aqueous solution of trypsin to the plasma-activated surface or by using glutaraldehyde as a chemical linker. In both cases, the utilization of sodium cyanoborohydride efficiently stabilized the immobilization. The surfaces were analyzed by X-ray photoelectron spectroscopy (XPS) and enzymatic activity measurements. Active trypsin was successfully immobilized on the surface with a mean activity of 0.09 ± 0.02 U/cm(2). The study of the stability of the immobilized enzyme during repetitive assays showed that some activity could be maintained during several months. An original quantitative correlation between the immobilized enzyme activity and the XPS signal intensity of the S 2p electrons present in the sulfur-containing amino acid residues was evidenced. PMID:21770448

  20. Electronic structure of the polymer-cathode interface of an organic electroluminescent device investigated using operando hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ikeuchi, J.; Hamamatsu, H.; Miyamoto, T. [Sumitomo Chemical Co., Ltd., Advanced Materials Research Laboratory, 6 Kitahara, Tsukuba, Ibaraki 300-3294 (Japan); Tanaka, S. [Sumitomo Chemical Co., Ltd., Tsukuba Material Development Laboratory, 6 Kitahara, Tsukuba, Ibaraki 300-3294 (Japan); Yamashita, Y.; Yoshikawa, H.; Ueda, S. [National Institute for Materials Science, Synchrotron X-ray Station at SPring-8, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan)

    2015-08-28

    The electronic structure of a polymer-cathode interface of an operating organic light-emitting diode (OLED) was directly investigated using hard X-ray photoelectron spectroscopy (HAXPES). The potential distribution profile of the light-emitting copolymer layer as a function of the depth under the Al/Ba cathode layer in the OLED depended on the bias voltage. We found that band bending occurred in the copolymer of 9,9-dioctylfluorene (50%) and N-(4-(2-butyl)-phenyl)diphenylamine (F8-PFB) layer near the cathode at 0 V bias, while a linear potential distribution formed in the F8-PFB when a bias voltage was applied to the OLED. Direct observation of the built-in potential and that band bending formed in the F8-PFB layer in the operating OLED suggested that charges moved in the F8-PFB layer before electron injection from the cathode.

  1. Electronic structure of the polymer-cathode interface of an organic electroluminescent device investigated using operando hard x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    The electronic structure of a polymer-cathode interface of an operating organic light-emitting diode (OLED) was directly investigated using hard X-ray photoelectron spectroscopy (HAXPES). The potential distribution profile of the light-emitting copolymer layer as a function of the depth under the Al/Ba cathode layer in the OLED depended on the bias voltage. We found that band bending occurred in the copolymer of 9,9-dioctylfluorene (50%) and N-(4-(2-butyl)-phenyl)diphenylamine (F8-PFB) layer near the cathode at 0 V bias, while a linear potential distribution formed in the F8-PFB when a bias voltage was applied to the OLED. Direct observation of the built-in potential and that band bending formed in the F8-PFB layer in the operating OLED suggested that charges moved in the F8-PFB layer before electron injection from the cathode

  2. Electronic structure of the polymer-cathode interface of an organic electroluminescent device investigated using operando hard x-ray photoelectron spectroscopy

    Science.gov (United States)

    Ikeuchi, J.; Hamamatsu, H.; Miyamoto, T.; Tanaka, S.; Yamashita, Y.; Yoshikawa, H.; Ueda, S.

    2015-08-01

    The electronic structure of a polymer-cathode interface of an operating organic light-emitting diode (OLED) was directly investigated using hard X-ray photoelectron spectroscopy (HAXPES). The potential distribution profile of the light-emitting copolymer layer as a function of the depth under the Al/Ba cathode layer in the OLED depended on the bias voltage. We found that band bending occurred in the copolymer of 9,9-dioctylfluorene (50%) and N-(4-(2-butyl)-phenyl)diphenylamine (F8-PFB) layer near the cathode at 0 V bias, while a linear potential distribution formed in the F8-PFB when a bias voltage was applied to the OLED. Direct observation of the built-in potential and that band bending formed in the F8-PFB layer in the operating OLED suggested that charges moved in the F8-PFB layer before electron injection from the cathode.

  3. Structure, Mobility, and Composition of Transition Metal Catalyst Surfaces. High-Pressure Scanning Tunneling Microscopy and Ambient-Pressure X-ray Photoelectron Spectroscopy Studies

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zhongwei [Univ. of California, Berkeley, CA (United States)

    2013-12-06

    Surface structure, mobility, and composition of transition metal catalysts were studied by high-pressure scanning tunneling microscopy (HP-STM) and ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) at high gas pressures. HP-STM makes it possible to determine the atomic or molecular rearrangement at catalyst surfaces, particularly at the low-coordinated active surface sites. AP-XPS monitors changes in elemental composition and chemical states of catalysts in response to variations in gas environments. Stepped Pt and Cu single crystals, the hexagonally reconstructed Pt(100) single crystal, and Pt-based bimetallic nanoparticles with controlled size, shape and composition, were employed as the model catalysts for experiments in this thesis.

  4. Harmonium: A pulse preserving source of monochromatic extreme ultraviolet (30–110 eV radiation for ultrafast photoelectron spectroscopy of liquids

    Directory of Open Access Journals (Sweden)

    J. Ojeda

    2016-03-01

    Full Text Available A tuneable repetition rate extreme ultraviolet source (Harmonium for time resolved photoelectron spectroscopy of liquids is presented. High harmonic generation produces 30–110 eV photons, with fluxes ranging from ∼2 × 1011 photons/s at 36 eV to ∼2 × 108 photons/s at 100 eV. Four different gratings in a time-preserving grating monochromator provide either high energy resolution (0.2 eV or high temporal resolution (40 fs between 30 and 110 eV. Laser assisted photoemission was used to measure the temporal response of the system. Vibrational progressions in gas phase water were measured demonstrating the ∼0.2 eV energy resolution.

  5. Band offsets of Er{sub 2}O{sub 3} films grown on Ge substrates by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Ting; Peng, Lining; Cui, Yanxia; Hao, Yuying [Taiyuan University of Technology, Key Laboratory of Advanced Transducers and Intelligent Control System (Ministry of Education), College of Physics and Optoelectronics, Taiyuan (China); Fang, Zebo [Shaoxing University, Department of Physics, Shaoxing (China)

    2014-06-15

    The band alignments of high-k Er{sub 2}O{sub 3} films grown on Ge substrates by molecular beam epitaxy are determined by X-ray photoelectron spectroscopy. The valenceband and the conduction-band offsets of Er{sub 2}O{sub 3} to Ge are found to be 3.16 ± 0.02 and 2.13 ± 0.02 eV, respectively. The energy gap of Er{sub 2}O{sub 3} is 5.96 ± 0.02 eV as determined by the optical spectrophotometry. From the band offset viewpoint, the above results indicate that Er{sub 2}O{sub 3} could be a promising candidate for high-k gate dielectrics on Ge substrate. (orig.)

  6. Zero kinetic energy-pulsed field ionization and resonance enhanced multiphoton ionization photoelectron spectroscopy: Ionization dynamics of Rydberg states in HBr

    International Nuclear Information System (INIS)

    The results of rotationally resolved resonance enhanced multiphoton ionization photoelectron spectroscopy and zero kinetic energy-pulsed field ionization studies on HBr via various rotational levels of the F1Δ2 and f3Δ2 Rydberg states are reported. These studies lead to an accurate determination of the lowest ionization threshold as 94098.9±1 cm-1. Observed rotational and spin endash orbit branching ratios are compared to the results of ab initio calculations. The differences between theory and experiment highlight the dominant role of rotational and spin endash orbit interactions for the dynamic properties of the high-n Rydberg states involved in the pulsed field ionization process. copyright 1996 American Institute of Physics

  7. Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy

    Science.gov (United States)

    Reinecke, Benjamin N.; Kuhl, Kendra P.; Ogasawara, Hirohito; Li, Lin; Voss, Johannes; Abild-Pedersen, Frank; Nilsson, Anders; Jaramillo, Thomas F.

    2016-08-01

    We report on the electronic structure of Au (gold) nanoparticles supported onto TiO2 with a goal of elucidating the most important effects that contribute to their high catalytic activity. We synthesize and characterize with high resolution transmission electron microscopy (HRTEM) 3.4, 5.3, and 9.5 nm diameter TiO2-supported Au nanoparticles with nearly spherical shape and measure their valence band using Au 5d subshell sensitive hard X-ray photoelectron spectroscopy (HAXPES) conducted at Spring-8. Based on density functional theory (DFT) calculations of various Au surface structures, we interpret the observed changes in the Au 5d valence band structure as a function of size in terms of an increasing percentage of Au atoms at corners/edges for decreasing particle size. This work elucidates how Au coordination number impacts the electronic structure of Au nanoparticles, ultimately giving rise to their well-known catalytic activity.

  8. Structural and bonding properties of ScSi-n(n=2~6)clusters:photoelectron spectroscopy and density functional calculations

    Institute of Scientific and Technical Information of China (English)

    Xu Hong-Guang; Wu Miao-Miao; Zhang Zeng-Guang; Sun Qiang; Zheng Wei-Jun

    2011-01-01

    Anion ion photoelectron spectroscopy and density functional theory(DFT)are used to investigate the electronicand structural properties of ScSi-n(n=2~6)clusters and their neutrals. We find that the structures of ScSin are similar to those of Si-n+1. The most stable isomers of ScSin cluster anions and their neutrals are similar for n=2, 3and 5 but different for n=4 and 6, indicating that the charge effect on geometry is size dependent for small scandiumsilicon clusters. The low electron binding energy(EBE)tails observed in the spectra of ScSi-4,6 can be explained by the existence of less stable isomers. A comparison between ScSi-n and VSi-n clusters shows the effects of metal size and electron configuration on cluster geometries.

  9. Toward new techniques to measure heterogeneous oxidation of aerosol: Electrodynamic Balance-Mass Spectrometry (EDB-MS) and Aerosol X-ray Photoelectron Spectroscopy

    Science.gov (United States)

    Jacobs, M. I.; Heine, N.; Xu, B.; Davies, J. F.; Kirk, B. B.; Kostko, O.; Alayoglu, S.; Wilson, K. R.; Ahmed, M.

    2015-12-01

    The chemical composition and physical properties of aerosol can be changed via heterogeneous oxidation with the OH radical. However, the physical state of the aerosol influences the kinetics of this reaction; liquid particles with a high diffusion coefficient are expected to be well mixed and homogenously oxidized, while oxidation of solid, diffusion-limited aerosol is expected to occur primarily on the surface, creating steep chemical gradients within the particle. We are working to develop several new techniques to study the heterogeneous oxidation of different types of aerosol. We are developing a "modular" electrodynamic balance (EDB) that will enable us to study heterogeneous oxidation at aqueous interfaces using a mass-spectrometer (and potentially other detection techniques). Using a direct analysis in real time (DART) interface, preliminary droplet train measurements have demonstrated single-droplet mass spectrometry to be possible. With long reaction times in our EDB, we will be able to study heterogeneous oxidation of a wide variety of organic species in aqueous droplets. Additionally, we are working to use aerosol photoemission and velocity map imaging (VMI) to study the surface of aerosol particles as they undergo heterogeneous oxidation. With VMI, we're able to collect electrons with a 4π collection efficiency over conventional electron energy analyzers. Preliminary results looking at the ozonolysis of squalene using ultraviolet photoelectron spectroscopy (UPS) show that heterogeneous oxidation kinetic data can be extracted from photoelectron spectra. By moving to X-ray photoemission spectroscopy (XPS), we will determine elemental and chemical composition of the aerosol surface. Thus, aerosol XPS will provide information on the steep chemical gradients that form as diffusion-limited aerosol undergo heterogeneous oxidation.

  10. Photoelectron spectroscopy investigation of the temperature-induced deprotonation and substrate-mediated hydrogen transfer in a hydroxyphenyl-substituted porphyrin

    Energy Technology Data Exchange (ETDEWEB)

    Smykalla, Lars, E-mail: lars.smykalla@physik.tu-chemnitz.de [Technische Universität Chemnitz, Institute of Physics, Solid Surfaces Analysis Group, D-09107 Chemnitz (Germany); Shukrynau, Pavel [Technische Universität Chemnitz, Institute of Physics, Solid Surfaces Analysis Group, D-09107 Chemnitz (Germany); Mende, Carola; Lang, Heinrich [Technische Universität Chemnitz, Institute of Chemistry, Inorganic Chemistry, D-09107 Chemnitz (Germany); Knupfer, Martin [Electronic and Optical Properties Department, IFW Dresden, D-01171 Dresden (Germany); Hietschold, Michael [Technische Universität Chemnitz, Institute of Physics, Solid Surfaces Analysis Group, D-09107 Chemnitz (Germany)

    2015-04-01

    Highlights: • Photoelectron spectroscopy of tetra(p-hydroxyphenyl)porphyrin on Au(1 1 1) and Ag(1 1 0). • Ratio of amount of −NH− to −N= in the molecule on Au(1 1 1) decreases after annealing. • Dissociation of −OH groups and transfer of hydrogen atoms to −N= on Ag(1 1 0). • Cleavage of C−H bonds of porphyrin macro-cycle at high temperature. • Changes of the valence band of the molecule in dependance of annealing temperature. - Abstract: The temperature dependent stepwise deprotonation of 5,10,15,20-tetra(p-hydroxyphenyl)-porphyrin is investigated using photoelectron spectroscopy. An abundance of pyrrolic relative to iminic nitrogen and a decrease in the ratio of the amount of −NH− to −N= with increasing annealing temperature is found. In contrast to the molecules adsorbed on Au(1 1 1), on the more reactive Ag(1 1 0) surface, partial dissociation of the hydroxyl groups and subsequent diffusion and rebonding of hydrogen to the central nitrogen atoms resulting in a zwitterionic molecule was clearly observed. Moreover, partial C−H bond cleavage and the formation of new covalent bonds with adjacent molecules or the surface starts at a relatively high annealing temperature of 300 °C. This reaction is identified to occur at the carbon atoms of the pyrrole rings, which leads also to a shift in the N 1s signal and changes in the valence band of the molecules. Our results show that annealing can significantly alter the molecules which were deposited depending on the maximum temperature and the catalytic properties of the specific substrate. The thermal stability should be considered if a molecular monolayer is prepared from a multilayer by desorption, or if annealing is applied to enhance the self-assembly of molecular structures.

  11. The influence of biosurfactant adsorption on the physicochemical behaviour of carbon steel surfaces using contact angle measurements and X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shubina, V., E-mail: varvara.shubina2014@gmail.com [LUNAM Université, IFSTTAR, MAST, SMC, F-44340 Bouguenais (France); Gaillet, L. [LUNAM Université, IFSTTAR, MAST, SMC, F-44340 Bouguenais (France); Ababou-Girard, S. [Institut de Physique de Rennes, Département Matériaux et Nanosciences, UMR 6251 CNRS, Université Rennes 1, 35000 Rennes-Cedex (France); Gaudefroy, V. [LUNAM Université, IFSTTAR, MAST, SMC, F-44340 Bouguenais (France); Chaussadent, T.; Farças, F. [Université Paris-Est, IFSTTAR, MAST, CPDM, F-77447 Marne-la-Vallée (France); Meylheuc, T. [INRA, UMR1319 Micalis, F-78352 Jouy-en-Josas (France); AgroParisTech, UMR Micalis, F-78352 Jouy-en-Josas (France); Dagbert, C. [2 Chemin de la Grand’côte, 36270 Éguzon-Chantôme (France); Creus, J. [LaSIE, UMR7356, Université de La Rochelle, Pôle Sciences et Technologie, Bâtiment Marie Curie, Avenue Michel Crépeau, 17000 La Rochelle (France)

    2015-10-01

    Highlights: • Surface modifications to carbon steel surfaces due to the adsorption of a biosurfactant derived from Pseudomonas fluorescens bacteria cells were investigated using contact angle measurements (CAM) and X-ray photoelectron spectroscopy (XPS). • CAM allowed to establish an increase of electron-donating properties of steel surface due to the biosurfactant adsorption. • XPS demonstrated that biosurfactant molecules change the stoichiometry of mixted-oxide layer and the new outer layer mostly composed of magnetite. • Thickness and density of adsorbed biosurfactants layers were highlighted using a semiquantitative approach for 3 different concentrations of biomolecules. - Abstract: We investigated modifications to carbon steel surfaces due to the adsorption of a biosurfactant derived from Pseudomonas fluorescens bacteria cells using contact angle measurements (CAM) and X-ray photoelectron spectroscopy (XPS). After conditioning carbon steel in solutions with three different concentrations of biosurfactant molecules: 0.05, 0.3 and 1 g L{sup −1}, the average thickness of the biosurfactant layer on the carbon steel specimens was 7.9 ± 0.3, 12.1 ± 0.5 and 16.4 ± 0.7 Å, respectively. The biosurfactants changed the composition of both the Fe{sup 2+} and Fe{sup 3+} mixed-oxide layer and the outer layer, mostly composed of Fe{sup 3+} associated with magnetite. Contact angle measurements indicate decreased hydrophobic properties after the carbon steel was modified by biosurfactant. It was shown that the carbon steel surface free energy depends on the biosurfactant concentration, due to an acquisition of strong electron-donating properties.

  12. The optical spectra of matrix-isolated palladium-nitrogen complexes: An investigation by absorption, emission, and photoelectron spectroscopy

    Science.gov (United States)

    Schrittenlacher, W.; Schroeder, W.; Rotermund, H. H.; Wiggenhauser, H.; Grinter, R.; Kolb, D. M.

    1986-08-01

    The optical spectra of palladium in neon and argon matrices containing up to 100% dinitrogen have been studied. Beside the known bands of isolated Pd atoms new strong bands assigned to weakly bonded Pd(N2)m (m=1, 2) complexes appear. The bands are attributed to three different types of transition. The dominant lines are essentially due to transitions localized at the Pd atom but strongly perturbed by a ``crystal field'' due to the weakly bonded N2 molecules. Secondly, a vibrational progression at lower energies is assigned to a Pd to N2 charge transfer transition and thirdly, at high energies, a vibrational progression assigned to a locally excited state of an N2 molecule perturbed by weak bonding to Pd is observed. No evidence has been found for the presence of Pd(N2)3. Photoelectron spectra of the Pd(N2)m complexes in neon have been observed. The Pd 4d photoemission peak is shifted with respect to the Pd atom in Ne by ˜1.1 eV to higher binding energies.

  13. Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran; Shelton, William A. [Cain Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Valiev, Marat; Kowalski, Karol, E-mail: karol.kowalski@pnnl.gov [William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352 (United States); Deng, S. H. M.; Wang, Xue-Bin, E-mail: xuebin.wang@pnnl.gov [Physical Sciences Division, Pacific Northwest National Laboratory, K8-88, P.O. Box 999, Richland, Washington 99352 (United States)

    2015-12-14

    The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI{sup −}), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  14. Probing microhydration effect on the electronic structure of the GFP chromophore anion. Photoelectron spectroscopy and theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran [Louisiana State Univ., Baton Rouge, LA (United States); Valiev, Marat [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Deng, Shihu [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shelton, William A. [Louisiana State Univ., Baton Rouge, LA (United States); Kowalski, Karol [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Wang, Xue B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-12-14

    The photophysics of Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI⁻), an analog of GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab-initio methods we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  15. Surface characterization by X-ray photoelectron spectroscopy and cyclic voltammetry of products formed during the potentiostatic reduction of chalcopyrite

    Energy Technology Data Exchange (ETDEWEB)

    Nava, Dora [Universidad Autonoma Metropolitana - Iztapalapa, Departamento de Quimica, Area de Electroquimica, A.P. 55-534, C.P. 09340, Mexico, D.F. (Mexico); Gonzalez, Ignacio [Universidad Autonoma Metropolitana - Iztapalapa, Departamento de Quimica, Area de Electroquimica, A.P. 55-534, C.P. 09340, Mexico, D.F. (Mexico)], E-mail: igm@xanum.uam.mx; Leinen, Dietmar; Ramos-Barrado, Jose R. [Departamento de Fisica Aplicada, Laboratorio de Materiales y Superficie, Unidad asociada al CSIC, Universidad de Malaga, Campus Teatinos, Malaga, C.P. 29071 (Spain)

    2008-05-30

    Surface characterization of the transient products that precede chalcocite formation during chalcopyrite reduction was carried out. The experimental strategy employed in the present work consisted of the application of different potential pulses (fixed energetic conditions) on the surface of chalcopyrite electrodes in 1.7 M H{sub 2}SO{sub 4}. The chemical products formed at different potential pulses were characterized by cyclic voltammetry (CV) and XPS. Each electrogenerated species presented a specific voltammetric behavior and an XPS spectrum, in which the values of principal photoelectronic peak bond energies for Cu 2p{sub 3/2}, Fe 2p{sub 3/2} and S 2p{sub 3/2} and the atomic concentrations were considered. Several potential intervals could be identified: in 0.115 {>=} E{sub cat} {>=} -0.085 V vs. SHE, an intermediate copper sulfide is formed whose composition is between those of chalcopyrite and bornite, such as talnakhite. The reduction of this product occurs slowly, giving bornite at potentials less than -0.085 V. In the applied potential region -0.085 {>=} E{sub cat} > -0.185 V, the bornite gradually decomposes causing the incomplete conversion to chalcocite. In the potential interval -0.185 > E{sub cat} {>=} -0.285 V, energetic conditions are large enough to allow the immediate decomposition of bornite, forming chalcocite in a more quantitative manner.

  16. Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

    Science.gov (United States)

    Bhaskaran-Nair, Kiran; Valiev, Marat; Deng, S. H. M.; Shelton, William A.; Kowalski, Karol; Wang, Xue-Bin

    2015-12-01

    The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI-), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  17. Negative Ion Photoelectron Spectroscopy Reveals Thermodynamic Advantage of Organic Acids in Facilitating Formation of Bisulfate Ion Clusters: Atmospheric Implications

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Gao-Lei; Lin, Wei; Deng, Shihu; Zhang, Jian; Zheng, Weijun; Paesani, Francesco; Wang, Xue B.

    2013-03-07

    Recent lab and field measurements have indicated critical roles of organic acids in enhancing new atmospheric aerosol formation. Such findings have stimulated theoretical studies with the aim of understanding interaction of organic acids with common aerosol nucleation precursors like bisulfate (HSO4-). In this Letter, we report a combined negative ion photoelectron spectroscopic and theoretical investigation of molecular clusters formed by HSO4- with succinic acid (SUA, HO2C(CH2)2CO2H), HSO4-(SUA)n (n = 0-2), along with HSO4-(H2O)n and HSO4-(H2SO4)n. It is found that one SUA molecule can stabilize HSO4- by ca. 39 kcal/mol, triple the corresponding value that one water molecule is capable of (ca. 13 kcal/mol). Molecular dynamics simulations and quantum chemical calculations reveal the most plausible structures of these clusters and attribute the stability of these clusters due to formation of strong hydrogen bonds. This work provides direct experimental evidence showing significant thermodynamic advantage by involving organic acid molecules to promote formation and growth in bisulfate clusters and aerosols.

  18. Surface spin-polarized currents generated in topological insulators by circularly polarized synchrotron radiation and their photoelectron spectroscopy indication

    Science.gov (United States)

    Shikin, A. M.; Klimovskikh, I. I.; Filyanina, M. V.; Rybkina, A. A.; Pudikov, D. A.; Kokh, K. A.; Tereshchenko, O. E.

    2016-08-01

    A new method for generating spin-polarized currents in topological insulators has been proposed and investigated. The method is associated with the spin-dependent asymmetry of the generation of holes at the Fermi level for branches of topological surface states with the opposite spin orientation under the circularly polarized synchrotron radiation. The result of the generation of holes is the formation of compensating spin-polarized currents, the value of which is determined by the concentration of the generated holes and depends on the specific features of the electronic and spin structures of the system. The indicator of the formed spin-polarized current can be a shift of the Fermi edge in the photoelectron spectra upon photoexcitation by synchrotron radiation with the opposite circular polarization. The topological insulators with different stoichiometric compositions (Bi1.5Sb0.5Te1.8Se1.2 and PbBi2Se2Te2) have been investigated. It has been found that there is a correlation in the shifts and generated spin-polarized currents with the specific features of the electronic spin structure. Investigations of the graphene/Pt(111) system have demonstrated the possibility of using this method for other systems with a spin-polarized electronic structure.

  19. A model-based approach for the calibration and traceability of the angle resolved scattering light sensor

    Science.gov (United States)

    Seewig, Jörg; Eifler, Matthias; Schneider, Frank; Kirsch, Benjamin; Aurich, Jan C.

    2016-06-01

    Within the field of geometric product specification there is a growing need for the application of inline measurement systems. The use of inline measurement requires robust and fast measurement principles. A very robust optical measurement principle is the angle resolved scattering light (ARS) sensor. The ARS sensor provides high precision and high resolution measurement data of technical surfaces because the surface angles are measured as an intensity distribution on a detector instead of measuring a series of discrete height values. However, until now, there were no specific measurement standards for the calibration of the ARS sensor and no traceability was ensured. In this paper, new strategies for the calibration of an ARS sensor are proposed. A new mathematical model for the ARS sensor is introduced. Based on this, two new measurement standards for the calibration of the sensor parameters are derived. These standards are designed with a model-based approach and can calibrate sensor-specific properties of the ARS sensor. The manufacturing of the standards is described and measurement results are provided.

  20. Quantitative angle-resolved small-spot reflectance measurements on plasmonic perfect absorbers: impedance matching and disorder effects.

    Science.gov (United States)

    Tittl, Andreas; Harats, Moshe G; Walter, Ramon; Yin, Xinghui; Schäferling, Martin; Liu, Na; Rapaport, Ronen; Giessen, Harald

    2014-10-28

    Plasmonic devices with absorbance close to unity have emerged as essential building blocks for a multitude of technological applications ranging from trace gas detection to infrared imaging. A crucial requirement for such elements is the angle independence of the absorptive performance. In this work, we develop theoretically and verify experimentally a quantitative model for the angular behavior of plasmonic perfect absorber structures based on an optical impedance matching picture. To achieve this, we utilize a simple and elegant k-space measurement technique to record quantitative angle-resolved reflectance measurements on various perfect absorber structures. Particularly, this method allows quantitative reflectance measurements on samples where only small areas have been nanostructured, for example, by electron-beam lithography. Combining these results with extensive numerical modeling, we find that matching of both the real and imaginary parts of the optical impedance is crucial to obtain perfect absorption over a large angular range. Furthermore, we successfully apply our model to the angular dispersion of perfect absorber geometries with disordered plasmonic elements as a favorable alternative to current array-based designs. PMID:25251075