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Sample records for photoelectron spectroscopy investigation

  1. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Price, W.C.

    1974-01-01

    A survey is given of the development of x-ray and ultraviolet photoelectron spectroscopy. Applications of photoelectron spectroscopy to studies of atomic electronic configurations are discussed, including photoelectron spectra of hydrides isoelectronic with the inert gases; photoelectron spectra of the halogen derivatives of methane; photoelectron spectra of multiple bonded diatomic molecules; spectra and structure of some multiple bonded polyatomic molecules; spectra and structure of triatomic molecules; and methods of orbital assignment of bands in photoelectron spectra. Physical aspects are considered, including intensities; selection rules; dependence of cross section on photoelectron energy; autoionization; angular distribution of photoelectrons; electron-molecule interactions; and transient species. (26 figures, 54 references) (U.S.)

  2. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Bosch, A.

    1982-01-01

    In this work examples of the various aspects of photoelectron spectroscopy are given. The investigation was started with the development of an angle-resolved spectrometer so that the first chapters deal with angle-resolved ultra-violet photoelectron spectroscopy. To indicate the possibilities and pitfalls of the technique, in chapter II the theory is briefly reviewed. In chapter III the instrument is described. The system is based on the cylindrical mirror deflection analyzer, which is modified and improved for angle-resolved photoelectron spectroscopy. In combination with a position sensitive detector, a spectrometer is developed with which simultaneously several angle-resolved spectra can be recorded. In chapter IV, the results are reported of angle-integrated UPS experiments on dilute alloys. Using the improved energy resolution of the instrument the author was able to study the impurity states more accurately and shows that the photoemission technique has become an important tool in the study of impurities and the interactions involved. XPS and Auger results obtained from dilute alloys are presented in chapter V. It is shown that these systems are especially suited for the study of correlation effects and can provide interesting problems related to the satellite structure and the interaction of the impurity with the host. In chapter VI, the valence bands of ternary alloys are studied with UPS and compared to recent band structure calculation. The core level shifts are analyzed in a simple, thermodynamic scheme. (Auth.)

  3. Photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Shirley, D.A.

    1976-01-01

    Research activities in photoelectron spectroscopy at Lawrence Radiation Laboratory during 1976 are described. Topics covered include: the orientation of CO on Pt(III) and Ni(III) surfaces from angle-resolved photoemission; photoemission from CO on Pt(III) in the range 40 eV less than or equal to dirac constant ω less than or equal to 150 eV; photoemission studies of electron states at clean surfaces using synchrotron radiation; angle and energy dependent photoemission studies of plasmon loss structure in Al and In; d-orbital directed photoemission from copper; interpretation of angle-resolved x-ray photoemission from valence bands; atomic cross-section effects in soft x-ray photoemission from Ag, Au, and Pt valence bands; x-ray photoelectron spectroscopic studies of the electronic structure of transition metal difluorides; x-ray photoemission investigation of the density of states of B'-NiAl; the electronic structure of SrTiO 3 and some simple related oxides; fluorescence lifetime measurements of np 5 (n+1)S' states in krypton and xenon; Zeeman beats in the resonance fluorescence of the 3P 1 , states in krypton and xenon; lifetime measurements of rare-gas dimers; configuration interaction effects in the atomic photoelectron spectra of Ba, Sm, Eu, and Yb; glow discharge lamps as electron sources for electron impact excitation; electron impact excitation of electron correlation states in Ca, Sr, and Ba; photoelectron spectroscopy of atomic and molecular bismuth; relativistic effects in the uv photoelectron spectra of group VI diatomic molecules; and relative gas-phase acidities and basicities from a proton potential model

  4. Investigation of photoelectronic processes in CdIn2S4 by photoinduced current transient spectroscopy

    International Nuclear Information System (INIS)

    Serpi, A.

    1986-01-01

    Photoelectronic processes in CdIn 2 S 4 are investigated by four-gate photoinduced current transient spectroscopy. In general the photocurrent decay transients are non-exponential because of a nonlinear multichannel recombination mechanism. Nevertheless suitable extrinsic excitation allows to open one recombination channel only and so to evidence a purely exponential relaxation. The detailed analysis of this process leads to the interpretation that the defects associated with the energy levels continuously distributed below the conduction band act as relay centres for radiative recombination of photoelectrons rather than as thermal emitting traps. An electron trapping level located at about 0.6 eV from the bottom of the conduction band is also evidenced. (author)

  5. High resolution photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Arko, A.J.

    1988-01-01

    Photoelectron Spectroscopy (PES) covers a very broad range of measurements, disciplines, and interests. As the next generation light source, the FEL will result in improvements over the undulator that are larger than the undulater improvements over bending magnets. The combination of high flux and high inherent resolution will result in several orders of magnitude gain in signal to noise over measurements using synchrotron-based undulators. The latter still require monochromators. Their resolution is invariably strongly energy-dependent so that in the regions of interest for many experiments (h upsilon > 100 eV) they will not have a resolving power much over 1000. In order to study some of the interesting phenomena in actinides (heavy fermions e.g.) one would need resolving powers of 10 4 to 10 5 . These values are only reachable with the FEL

  6. Lyophilized histidine investigated using X-ray photoelectron spectroscopy and cryogenics: Deprotonation in vacuum

    International Nuclear Information System (INIS)

    Cardenas, Juan F.; Groebner, Gerhard

    2005-01-01

    Lyophilized histidine samples were investigated using X-ray photoelectron spectroscopy (XPS). Lyophilized samples were prepared from aqueous solutions at a pH in the range between ∼1.5 and ∼10, and with no further addition of electrolyte. The use of cryogenics allowed the determination of protonated to unprotonated molar ratios of sites in L-histidine, which correlates well with the dissociation constants of the residual amino acid sites. When cryogenics was not used deprotonation of the lyophilized samples occurred, where the degree and the total concentration of deprotonated sites correlates well with the formation constants and the decrease in Cl concentration, respectively. This later relation clearly indicates a correlation between deprotonation and the desorption of HCl from lyophilized samples

  7. Lyophilized histidine investigated using X-ray photoelectron spectroscopy and cryogenics: Deprotonation in vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Cardenas, Juan F. [Inorganic Chemistry, Umeaa University, 90187 Umeaa (Sweden)]. E-mail: juan.cardenas@chem.umu.se; Groebner, Gerhard [Biophysical Chemistry, Umeaa University, 90187 Umeaa (Sweden)

    2005-08-15

    Lyophilized histidine samples were investigated using X-ray photoelectron spectroscopy (XPS). Lyophilized samples were prepared from aqueous solutions at a pH in the range between {approx}1.5 and {approx}10, and with no further addition of electrolyte. The use of cryogenics allowed the determination of protonated to unprotonated molar ratios of sites in L-histidine, which correlates well with the dissociation constants of the residual amino acid sites. When cryogenics was not used deprotonation of the lyophilized samples occurred, where the degree and the total concentration of deprotonated sites correlates well with the formation constants and the decrease in Cl concentration, respectively. This later relation clearly indicates a correlation between deprotonation and the desorption of HCl from lyophilized samples.

  8. X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Attekum, P.M.T.M. van.

    1979-01-01

    The methods and results of X-ray photoelectron spectroscopy in the study of plasmons, alloys and gold compounds are discussed. After a comprehensive introduction, seven papers by the author, previously published elsewhere, are reprinted and these cover a wide range of the uses of X-ray photoelectron spectroscopy. (W.D.L.)

  9. 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 p...

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

    Science.gov (United States)

    Mishra, P.; Lohani, H.; Kundu, A. K.; Patel, R.; Solanki, G. K.; Menon, Krishnakumar S. R.; Sekhar, B. R.

    2015-07-01

    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.

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

    International Nuclear Information System (INIS)

    Mishra, P; Lohani, H; Sekhar, B R; Kundu, A K; Menon, Krishnakumar S R; Patel, R; Solanki, G K

    2015-01-01

    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 4p z 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)

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

    International Nuclear Information System (INIS)

    Dauth, B.H.

    1989-08-01

    The electronic structure of various polycrystalline samples including the new YBaCuO- and BiCaSrCuO- high T c 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-2p 3/2 - 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)

  13. Photoelectron spectroscopy of molecular beams

    International Nuclear Information System (INIS)

    Berkowitz, J.

    1974-01-01

    The history of physical science is replete with examples of phenomena initially discovered and investigated by physicists, which have subsequently become tools of the chemist. It is demonstrated in this paper that the field of photoelectron spectroscopy may develop in a reverse fashion. After a brief introduction to the subject, the properties characterized as physical ones, are discussed. These are intensities and angular distributions, from which one can infer transition probabilities and phase shifts. Three separate experiments are described which involve accurate intensity measurements and it is shown how an interpretation of the results by appropriate theory has given new insight into the photoionization process. (B.R.H.)

  14. X-ray photoelectron spectroscopy investigation of the carburization of 310 stainless steel

    International Nuclear Information System (INIS)

    Tabet, N.; Allam, I.; Yin, R.C.

    2003-01-01

    The surface of 310 stainless steel (310SS) samples was investigated by X-ray photoelectron spectroscopy (XPS) after 500 h cyclic exposure to two carburizing atmospheres: CH 4 (2%)-H 2 (98%) at 800 deg. C, and CH 4 (10%)-H 2 (90%) at 1100 deg. C. The depth distribution of various elements in the surface region was obtained by XPS after successive cycles of argon etching. The microstructure of the alloy was observed by scanning electron microscopy (SEM) and the phases formed during the exposure were analyzed by X-ray diffraction (XRD). The results showed that the major phases that were formed within few micrometer depth during exposure at 800 deg. C include both iron and chromium carbides. (Mn, Cr) oxide was also formed as a result of the reaction with the residual oxygen of the atmosphere. A region of few microns width that was relatively depleted of chromium was formed under the surface as a result of the outwards diffusion of chromium. The exposure to the reducing atmosphere at 1100 deg. C led to the formation of various iron and chromium carbides. No oxide was formed during exposure. In all exposed samples, the surface was Cr enriched while nickel remained buried under the surface region that reacted with the atmosphere

  15. 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.

  16. Photoelectron photoion molecular beam spectroscopy

    International Nuclear Information System (INIS)

    Trevor, D.J.

    1980-12-01

    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

  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. 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

  19. Interface Energy Alignment of Atomic-Layer-Deposited VOx on Pentacene: an in Situ Photoelectron Spectroscopy Investigation.

    Science.gov (United States)

    Zhao, Ran; Gao, Yuanhong; Guo, Zheng; Su, Yantao; Wang, Xinwei

    2017-01-18

    Ultrathin atomic-layer-deposited (ALD) vanadium oxide (VO x ) interlayer has recently been demonstrated for remarkably reducing the contact resistance in organic electronic devices (Adv. Funct. Mater. 2016, 26, 4456). Herein, we present an in situ photoelectron spectroscopy investigation (including X-ray and ultraviolet photoelectron spectroscopies) of ALD VO x grown on pentacene to understand the role of the ALD VO x interlayer for the improved contact resistance. The in situ photoelectron spectroscopy characterizations allow us to monitor the ALD growth process of VO x and trace the evolutions of the work function, pentacene HOMO level, and VO x defect states during the growth. The initial VO x growth is found to be partially delayed on pentacene in the first ∼20 ALD cycles. The underneath pentacene layer is largely intact after ALD. The ALD VO x is found to contain a high density of defect states starting from 0.67 eV below the Fermi level, and the energy level of these defect states is in excellent alignment with the HOMO level of pentacene, which therefore allows these VO x defect states to provide an efficient hole-injection pathway at the contact interface.

  20. 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 interface...... properties with high surface sensitivity. Additionally, by using synchrotron-generated hard x-rays as excitation source, larger probing depths compared to in-house PES can be achieved. Therefore, the combination of in-house soft x-ray photoelectron spectroscopy and hard x-ray photoelectron spectroscopy...

  1. Liquid microjet for photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Winter, Bernd

    2009-01-01

    Photoelectron spectroscopy from highly volatile liquids, especially from water and aqueous solutions, has recently become possible due to the development of the vacuum liquid microjet in combination of high-brilliance synchrotron radiation. The present status of this rapidly growing field is reported here, with an emphasize on the method's sensitivity for detecting local electronic structure, and for monitoring ultrafast dynamical processes in aqueous solution exploiting core-level resonant excitation.

  2. Liquid microjet for photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Winter, Bernd [Helmholtz-Zentrum Berlin fuer Materialien und Energie, and BESSY, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany)], E-mail: bernd.winter@bessy.de

    2009-03-21

    Photoelectron spectroscopy from highly volatile liquids, especially from water and aqueous solutions, has recently become possible due to the development of the vacuum liquid microjet in combination of high-brilliance synchrotron radiation. The present status of this rapidly growing field is reported here, with an emphasize on the method's sensitivity for detecting local electronic structure, and for monitoring ultrafast dynamical processes in aqueous solution exploiting core-level resonant excitation.

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

    International Nuclear Information System (INIS)

    Survilienė, S.; 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

  4. a near ambient pressure UV photoelectron spectroscopy

    Indian Academy of Sciences (India)

    Manoj Kumar Ghosalya

    2018-03-02

    Mar 2, 2018 ... UV photoelectron spectroscopy (NAP-UPS) investigations. MANOJ KUMAR ... gations led to various models of Ag-O2 interaction to explain its role in the .... charge lamp (for He I and He II excitations) are available as photon ...

  5. Photoelectron spectroscopy of heavy atoms and molecules

    International Nuclear Information System (INIS)

    White, M.G.

    1979-07-01

    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

  6. Photoelectron spectroscopy of supersonic molecular beams

    International Nuclear Information System (INIS)

    Pollard, J.E.

    1982-05-01

    A new technique for performing high resolution molecular photoelectron spectroscopy is described, beginning with its conceptual development, through the construction of a prototypal apparatus, to the initial applications on a particularly favorable molecular system. The distinguishing features of this technique are: (1) the introduction of the sample in the form of a collimated supersonic molecular beam; and (2) the use of an electrostatic deflection energy analyzer which is carefully optimized in terms of sensitivity and resolution. This combination makes it possible to obtain photoelectron spectra at a new level of detail for many small molecules. Three experiments are described which rely on the capability to perform rotationally-resolved photoelectron spectroscopy on the hydrogen molecule and its isotopes. The first is a measurement of the ionic vibrational and rotational spectroscopic constants and the vibrationally-selected photoionization cross sections. The second is a determination of the photoelectron asymmetry parameter, β, for selected rotational transitions. The third is an investigation of the rotational relaxation in a free jet expansion, using photoelectron spectroscopy as a probe of the rotational state population distributions. In the closing chapter an assessment is made of the successes and limitations of the technique, and an indication is given of areas for further improvement in future spectrometers

  7. Photoelectron spectroscopy an introduction to ultraviolet photoelectron spectroscopy in the gas phase

    CERN Document Server

    Eland, J H D

    2013-01-01

    Photoelectron Spectroscopy: An Introduction to Ultraviolet Photoelectronspectroscopy in the Gas Phase, Second Edition Photoelectron Spectroscopy: An Introduction to Ultraviolet PhotoelectronSpectroscopy in the Gas Phase, Second Edition aims to give practical approach on the subject of photoelectron spectroscopy, as well as provide knowledge on the interpretation of the photoelectron spectrum. The book covers topics such as the principles and literature of photoelectron microscopy; the main features and analysis of photoelectron spectra; ionization techniques; and energies from the photoelectron spectra. Also covered in the book are topics suc as photoelectron band structure and the applications of photoelectron spectroscopy in chemistry. The text is recommended for students and practitioners of chemistry who would like to be familiarized with the concepts of photoelectron spectroscopy and its importance in the field.

  8. Ultraviolet photoelectron spectroscopy investigation of interface formation in an indium-tin oxide/fluorocarbon/organic semiconductor contact

    International Nuclear Information System (INIS)

    Tong, S.W.; Lau, K.M.; Sun, H.Y.; Fung, M.K.; Lee, C.S.; Lifshitz, Y.; Lee, S.T.

    2006-01-01

    It has been demonstrated that hole-injection in organic light-emitting devices (OLEDs) can be enhanced by inserting a UV-illuminated fluorocarbon (CF x ) layer between indium-tin oxide (ITO) and organic hole-transporting layer (HTL). In this work, the process of interface formation and electronic properties of the ITO/CF x /HTL interface were investigated with ultraviolet photoelectron spectroscopy. It was found that UV-illuminated fluorocarbon layer decreases the hole-injection barrier from ITO to α-napthylphenylbiphenyl diamine (NPB). Energy level diagrams deduced from the ultraviolet photoelectron spectroscopy (UPS) spectra show that the hole-injection barrier in ITO/UV-treated CF x /NPB is the smallest (0.46 eV), compared to that in the ITO/untreated CF x /NPB (0.60 eV) and the standard ITO/NPB interface (0.68 eV). The improved current density-voltage (I-V) characteristics in the UV-treated CF x -coated ITO contact are consistent with its smallest barrier height

  9. 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.

  10. Theoretical investigation of the (e,2e) simulation of photoelectron spectroscopy of polarized atoms

    International Nuclear Information System (INIS)

    Cherepkov, N.A.; Kuznetsov, V.V.

    1992-01-01

    It is shown that the (e, 2e) simulation of the photionization process can be used to perform the complete quantum-mechanical experiment provided the target atoms are polarized. The experimental technique developed earlier for simulation of the photoelectron angular distribution measurements can be used to obtain three additional parameters in the case of polarized atoms. (Author)

  11. 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

  12. Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and {Delta}SCF calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, R.M., E-mail: ruipinto@fct.unl.pt [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Dias, A.A. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Coreno, M. [CNR-IMIP, Montelibretti, Rome I-00016 (Italy); Simone, M. de [CNR-IOM, Laboratorio TASC, 34149 Trieste (Italy); Giuliano, B.M. [Departamento de Quimica da Universidade de Coimbra, 3004-535 Coimbra (Portugal); Santos, J.P.; Costa, M.L. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer High-resolution XPS of 5-aminotetrazole reveals different tautomers. Black-Right-Pointing-Pointer 5ATZ exists mainly in the 2H-form. Black-Right-Pointing-Pointer Results obtained with DSCF are in good agreement with the observed binding energies. - Abstract: The C 1s and N 1s photoelectron spectra of gas-phase 5-aminotetrazole (5ATZ) were recorded using synchrotron radiation, with the aim of evaluating 1H/2H tautomer population ratios. The core-electron binding energies (CEBEs) were estimated from computational results, using the delta self-consistent-field ({Delta}SCF) approach. Simulated spectra were generated using these CEBEs and the results from GAUSSIAN-n (Gn, n = 1, 2 and 3) and Complete Basis Set (CBS-4M and CBS-Q) methods. Results reveal the almost exclusive predominance of the 2H-tautomer, with a 1H/2H ratio of ca. 0.12/0.88, taken from a gross analysis of the XPS C 1s spectrum, recorded at 365 K.

  13. Coincident photoelectron spectroscopy on superconductors

    International Nuclear Information System (INIS)

    Voss, Stefan

    2011-01-01

    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 2 Sr 2 CaCu 2 O 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.

  14. 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...

  15. Electronic properties and bonding in Zr Hx thin films investigated by valence-band x-ray photoelectron spectroscopy

    Science.gov (United States)

    Magnuson, Martin; Schmidt, Susann; Hultman, Lars; Högberg, Hans

    2017-11-01

    The electronic structure and chemical bonding in reactively magnetron sputtered Zr Hx (x =0.15 , 0.30, 1.16) thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level, and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significant reduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H 1s-Zr 4d hybridization region at ˜6 eV below the Fermi level. For low hydrogen content (x =0.15 , 0.30), the films consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ -Zr Hx (Ca F2 -type structure) phases, while for x =1.16 , the films form single-phase Zr Hx that largely resembles that of stoichiometric δ -Zr H2 phase. We show that the cubic δ -Zr Hx phase is metastable as thin film up to x =1.16 , while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated Zr H1.16 film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4 p3 /2 and 3 d5 /2 peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifies a charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemical shifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affects the conductivity by charge redistribution in the valence band.

  16. Band bending at copper and gold interfaces with ferroelectric Pb(Zr,Ti)O{sub 3} investigated by photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Apostol, Nicoleta G.; Ştoflea, Laura E.; Tănase, Liviu C.; Bucur, Ioana Cristina; Chirilă, Cristina; Negrea, Raluca F.; Teodorescu, Cristian M., E-mail: teodorescu@infim.ro

    2015-11-01

    Highlights: • Synthesis of lead zirco-titanate (0 0 1) layers with nearly perfect stoichiometric transfer from substrates by pulsed laser deposition. • Copper forms continuous layers on Pb(Zr,Ti)O{sub 3}, gold is deposited in form of nanoparticles. • Derivation of Schottky mechanism for band bending for gold deposited on lead zirco-titanate. • Cancellation of polarization-induced band bending for copper deposited on lead zirco-titanate. • Pb reduction observed only in the case of copper deposited on lead zirco-titanate. - Abstract: Interfaces formed by gold and copper on single crystal layers of (0 0 1) PbZr{sub 0.2}Ti{sub 0.8}O{sub 3} (PZT) produced by pulsed laser deposition and exhibiting outwards polarization are analyzed by X-ray photoelectron spectroscopy. The stoichiometry of the layers reproduces reasonably that of the PZT target. The band bending occurring at the interface between PZT and the metals is investigated by analyzing the core level shifts as function on the metal deposition. It is found that for Au/PZT(0 0 1) the gold layer is not continuous and the observed band bendings can be attributed to a Schottky mechanism, whereas for Cu/PZT(0 0 1) the copper layer is continuous; in this latter case, the observed band bendings towards higher energies (lower binding energies) can be attributed to a concomitant bending due to the Schottky effect together with the disappearance of the initial bending due to the outwards polarization of the samples. Metal Pb is observed to segregate only in the case of Cu/PZT(0 0 1), therefore the surface self-reduction might also be connected to the presence of a metal with lower work function, which for larger coverage forms a continuous metal layer, able to provide electrons to the surface. High resolution transmission electron spectroscopy yielded the disappearance of the tetragonal distortion in the case of Cu/PZT(0 0 1), in line with the assumption of disappearance of the polarization-induced band bending.

  17. 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...... effects will lead to an apparent temporal shift of 50 as between photoelectrons from a 2p and 1s state in atomic hydrogen....

  18. Photoelectron spectroscopy of surfaces under humid conditions

    International Nuclear Information System (INIS)

    Bluhm, Hendrik

    2010-01-01

    The interaction of water with surfaces plays a major role in many processes in the environment, atmosphere and technology. Weathering of rocks, adhesion between surfaces, and ionic conductance along surfaces are among many phenomena that are governed by the adsorption of molecularly thin water layers under ambient humidities. The properties of these thin water films, in particular their thickness, structure and hydrogen-bonding to the substrate as well as within the water film are up to now not very well understood. Ambient pressure photoelectron spectroscopy (APXPS) is a promising technique for the investigation of the properties of thin water films. In this article we will discuss the basics of APXPS as well as the particular challenges that are posed by investigations in water vapor at Torr pressures. We will also show examples of the application of APXPS to the study of water films on metals and oxides.

  19. Photoelectron Spectroscopy of Substituted Phenylnitrenes

    Science.gov (United States)

    Wijeratne, Neloni R.; Da Fonte, Maria; Wenthold, Paul G.

    2009-06-01

    Nitrenes are unusual molecular structures with unfilled electronic valences that are isoelectronic with carbenes. Although, both can be generated by either thermal or photochemical decomposition of appropriate precursors they usually exhibit different reactivities. In this work, we carry out spectroscopic studies of substituted phenylnitrene to determine how the introduction of substituents will affect the reactivity and its thermochemical properties. All studies were carried out by using the newly constructed time-of-flight negative ion photoelectron spectrometer (NIPES) at Purdue University. The 355 nm photoelectron spectra of the o-, m-, and p-chlorophenyl nitrene anions are fairly similar to that measured for phenylnitrene anion. All spectra show low energy triplet state and a high energy singlet state. The singlet state for the meta isomer is well-resolved, with a well defined origin and observable vibrational structure. Whereas the singlet states for the ortho and para isomers have lower energy onsets and no resolved structure. The isomeric dependence suggests that the geometry differences result from the resonance interaction between the nitrogen and the substituent. Quinoidal resonance structures are possible for the open-shell singlet states of the o- and p-chlorinated phenyl nitrenes. The advantages of this type of electronic structures for the open-shell singlet states is that the unpaired electrons can be more localized on separate atoms in the molecules, minimizing the repulsion between. Because the meta position is not in resonance with the nitrenes, substitution at that position should not affect the structure of the open-shell singlet state. The measured electron affinities (EA) of the triplet phenylnitrenes are in excellent agreement with the values predicted by electronic structure calculations. The largest EA, 1.82 eV is found for the meta isomer, with para being the smallest, 1.70 eV.

  20. UV lamp for photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Cardoso, M.J.B.; Landers, R.; Sundaram, V.S.

    1983-01-01

    An UV lamp and a differential pumping system which enables to couple the lamp to an ultra-high vacuum chamber (10 -9 torr) without using windows, are described. The differential between the pressure inside the discharge chamber and the one in de UHV region, which is of 10 8 -10 9 , is achieved with two pumping states separated by pyrex capillaries having an internal diameter of 0.6 mm. In the first stage, a mechanical pump (10 -3 torr) is used; in the second stage, a diffusor pump with a cryogenic trap (N 2 liq - 10 -7 torr) is employed. The lamp produces, when used with high purity He, narrow lines almost clear at 21.2 eV and 40.8 eV, depending on the discharge chamber pressure, thus eliminating the need of a monochromator. As a high voltage source (3 KV), a commercial unit with a good current control was used, ensuring UV beam stability - an essential characteristic for this lamp if it is employed for photoelectron excitation of crystalline samples. (C.L.B.) [pt

  1. Classical ultraviolet photoelectron spectroscopy of polymers

    International Nuclear Information System (INIS)

    Salaneck, W.R.

    2009-01-01

    Although X-ray photoelectron spectroscopy of polymers was well established by Clark and coworkers in the 1970s, ultraviolet photoelectron spectroscopy of polymer films, was developed later. Previous to the 1970s, the first attempts to use ultraviolet light on polymer films took the form of appearance potential (valence band edge) measurements. Only some years later could the full valence band region of thin polymer films, including insulating polymers, semiconducting polymers and electrically conducting polymers. The development of what might be termed 'classical ultraviolet photoelectron spectroscopy' of polymer films may be loosely based upon a variety of issues, including adapting thin polymer film technology to ultra high vacuum studies, the widespread use of helium resonance lamps for studies of solid surfaces, the combined advent of practical and sufficient theoretical-computational methods. The advent of, and the use of, easily available synchrotron radiation for multi-photon spectroscopies, nominally in the area of the near UV, is not included in the term 'classical'. At the same time, electrically conducting polymers were discovered, leading to applications of the corresponding semiconducting polymers, which added technologically driven emphasis to this development of ultraviolet photoelectron spectroscopy for polymer materials. This paper traces a limited number of highlights in the evolution of ultraviolet photoelectron spectroscopy of polymers, from the 1970s through to 2008. Also, since this issue is dedicated to Prof. Kazuhiko Seki, who has been a friend and competitor for over two decades, the author relies on some of Prof. Seki's earlier research, unpublished, on who-did-what-first. Prof. Seki's own contributions to the field, however, are discussed in other articles in this issue.

  2. 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…

  3. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, Stephen Edmund [Univ. of California, Berkeley, CA (United States)

    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-, NCO- and NCS-. Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH30H,F + C2H5OH,F + OH and F + H2. A time dependent framework for the simulation and interpretation of the bound → free transition state photoelectron spectra is subsequently developed and applied to the hydrogen transfer reactions Br + HI, F + OH → O(3P, 1D) + HF and F + H2. 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 + H2 system, comparisons with three-dimensional quantum calculations are made.

  4. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    International Nuclear Information System (INIS)

    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 → bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN - , NCO - and NCS - . Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH 3 0H,F + C 2 H 5 OH,F + OH and F + H 2 . A time dependent framework for the simulation and interpretation of the bound → free transition state photoelectron spectra is subsequently developed and applied to the hydrogen transfer reactions Br + HI, F + OH → O( 3 P, 1 D) + HF and F + H 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 2 system, comparisons with three-dimensional quantum calculations are made

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

    International Nuclear Information System (INIS)

    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 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

  6. Band alignment of HfO{sub 2}/AlN heterojunction investigated by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Gang [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Hong, E-mail: ewanghong@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); CNRS-International-NTU-THALES Research Alliances/UMI 3288, 50 Nanyang Drive, Singapore 637553 (Singapore); Ji, Rong [Data Storage Institute, Agency for Science Technology and Research (A-STAR), Singapore 117608 (Singapore)

    2016-04-18

    The band alignment between AlN and Atomic-Layer-Deposited (ALD) HfO{sub 2} 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 ΔE{sub V} of 0.4 ± 0.2 eV at HfO{sub 2}/AlN interface was determined by taking AlN surface band bending into account. By taking the band gap of HfO{sub 2} and AlN as 5.8 eV and 6.2 eV, respectively, a type-II band line-up was found between HfO{sub 2} and AlN.

  7. 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.

  8. Ultraviolet photoelectron spectroscopy of transient species

    International Nuclear Information System (INIS)

    Leeuw, D.M. de.

    1979-01-01

    Transient species are studied in the isolation of the gas phase using ultraviolet photoelectron spectroscopy (PES). A description of the equipment used and a discussion of some theoretical topics, which play a role in the interpretation of PE spectra, are given. Koopmans' theorem, Hartree-Fock-Slater (HFS) calculations and the sum rule are discussed. A versatile ultraviolet PE spectrometer, designed specifically for this purpose, has been built and the construction and performance of this instrument are described. (Auth.)

  9. Investigation of the chemistry of the dielectric/FeCoTb interface by x-ray photoelectron spectroscopy and Auger electron spectroscopy

    International Nuclear Information System (INIS)

    Stickle, W.F.; Coulman, D.

    1987-01-01

    The interfacial chemistry of magneto-optic structures of sputter deposited SiO, SiO 2 , Si 3 N 4 /FeCoTb/SiO, SiO 2 , and Si 3 N 4 was studied in detail by x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). XPS and AES depth profiles have revealed a substantial amount of redox chemistry at the dielectric/rare-earth transition metal interfaces. The chemical reactions occur preferentially with the terbium as revealed in the XPS portion of the study by the formation of terbium oxide and terbium silicide. In the case of Si 3 N 4 evidence of TbN/sub x/ has also been observed. ''As deposited'' and annealed samples of the magneto-optic structures are compared and contrasted. It is concluded that Si 3 N 4 is a superior dielectric for magneto-optic media

  10. Energy- and angled-resolved photoelectron spectroscopy of negative ions

    International Nuclear Information System (INIS)

    Pegg, D.J.; Thompson, J.S.; Compton, R.N.; Alton, G.D.

    1988-01-01

    Energy- and angle-resolved photoelectron detachment spectroscopy is currently being used to investigate the structure of negative ions and their interaction with radiation. Measurements of the electron affinity of the Ca atom and the partial cross sections for photodetachment of the metastable negative ion, He - (1s2s2p 4 P), are reported. 5 refs., 5 figs

  11. Characterization of Ge-nanocrystal films with photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Bostedt, C.; Buuren, T. van; Willey, T.M.; Nelson, A.J.; Franco, N.; Moeller, T.; Terminello, L.J.

    2003-01-01

    The Ge 3d core-levels of germanium nanocrystal films have been investigated by means of photoelectron spectroscopy. The experiments indicate bulk-like coordinated atoms in the nanocrystals and suggest structured disorder on the nanoparticle surface. The results underline the importance of the surface on the overall electronic structure of this class of nanostructured materials

  12. X-ray photoelectron spectroscopy investigations of band offsets in Ga0.02Zn0.98O/ZnO heterojunction for UV photodetectors

    Science.gov (United States)

    Singh, Karmvir; Rawal, Ishpal; Punia, Rajesh; Dhar, Rakesh

    2017-10-01

    Here, we report the valence and conduction band offset measurements in pure ZnO and the Ga0.02Zn0.98O/ZnO heterojunction by X-Ray photoelectron spectroscopy studies for UV photodetector applications. For detailed investigations on the band offsets and UV photodetection behavior of Ga0.02Zn0.98O/ZnO heterostructures, thin films of pristine ZnO, Ga-doped ZnO (Ga0.02Zn0.98O), and heterostructures of Ga-doped ZnO with ZnO (Ga0.02Zn0.98O/ZnO) were deposited using a pulsed laser deposition technique. The deposited thin films were characterized by X-ray diffraction, atomic force microscopy, and UV-Vis spectroscopy. X-ray photoelectron spectroscopy studies were carried out on all the thin films for the investigation of valence and conduction band offsets. The valence band was found to be shifted by 0.28 eV, while the conduction band has a shifting of -0.272 eV in the Ga0.02Zn0.98O/ZnO heterojunction as compared to pristine ZnO thin films. All the three samples were analyzed for photoconduction behavior under UVA light of the intensity of 3.3 mW/cm2, and it was observed that the photoresponse of pristine ZnO (19.75%) was found to increase with 2 wt. % doping of Ga (22.62%) and heterostructured thin films (29.10%). The mechanism of UV photodetection in the deposited samples has been discussed in detail, and the interaction of chemisorbed oxygen on the ZnO surface with holes generated by UV light exposure has been the observed mechanism for the change in electrical conductivity responsible for UV photoresponse on the present deposited ZnO films.

  13. Anion photoelectron spectroscopy of radicals and clusters

    Energy Technology Data Exchange (ETDEWEB)

    Travis, Taylor R. [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    Anion photoelectron spectroscopy is used to study free radicals and clusters. The low-lying 2Σ and 2π states of C2nH (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 C2H and C4H. Other radicals studied include NCN and I3. 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 I3 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.

  14. 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.

  15. 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)

    Ikeuchi, J.; Hamamatsu, H.; Miyamoto, T.; Tanaka, S.; Yamashita, Y.; Yoshikawa, H.; Ueda, S.

    2015-01-01

    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

  16. 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.

  17. Graphene Membranes for Atmospheric Pressure Photoelectron Spectroscopy.

    Science.gov (United States)

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

    2016-05-05

    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.

  18. Study of niobium oxidation by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Durand, C.

    1985-01-01

    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 (Nb 2 O 5 ) on the metal (Nb). This interface is essentially formed by the monoxide (NbO) and dioxide (NbO 2 ). 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 [fr

  19. 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.

  20. 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.

  1. Wet-cleaning of MgO(001): Modification of surface chemistry and effects on thin film growth investigated by x-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectroscopy

    OpenAIRE

    Le Febvrier, Arnaud; Jensen, Jens; Eklund, Per

    2017-01-01

    The effect of the wet-cleaning process using solvents and detergent on the surface chemistry of MgO(001) substrate for film deposition was investigated. Six different wet-cleaning processes using solvent and detergent were compared. The effect on film growth was studied by the example system ScN. The surface chemistry of the cleaned surface was studied by x-ray photoelectron spectroscopy and the film/substrate interface after film growth was investigated by time-of-flight secondary ion mass s...

  2. Degradation of all-vanadium redox flow batteries (VRFB) investigated by electrochemical impedance and X-ray photoelectron spectroscopy: Part 2 electrochemical degradation

    Science.gov (United States)

    Derr, Igor; Bruns, Michael; Langner, Joachim; Fetyan, Abdulmonem; Melke, Julia; Roth, Christina

    2016-09-01

    Electrochemical degradation (ED) of carbon felt electrodes was investigated by cycling of a flow through all-vanadium redox flow battery (VRFB) and conducting half-cell measurements with two reference electrodes inside the test bench. ED was detected using half-cell and full-cell electrochemical impedance spectroscopy (EIS) at different states of charge (SOC). Reversing the polarity of the battery to recover cell performance was performed with little success. Renewing the electrolyte after a certain amount of cycles restored the capacity of the battery. X-ray photoelectron spectroscopy (XPS) reveals that the amount of surface functional increases by more than a factor of 3 for the negative side as well as for the positive side. Scanning electron microscope (SEM) images show a peeling of the fiber surface after cycling the felts, which leads to a loss of electrochemically active surface area (ECSA). Long term cycling shows that ED has a stronger impact on the negative half-cell [V(II)/V(III)] than the positive half-cell [V(IV)/V(V)] and that the negative half-cell is the rate-determining half-cell for the VRFB.

  3. Corrosive effects of fluoride on titanium: investigation by X-ray photoelectron spectroscopy, atomic force microscopy, and human epithelial cell culturing.

    Science.gov (United States)

    Stájer, Anette; Ungvári, Krisztina; Pelsoczi, István K; Polyánka, Hilda; Oszkó, Albert; Mihalik, Erzsébet; Rakonczay, Zoltán; Radnai, Márta; Kemény, Lajos; Fazekas, András; Turzó, Kinga

    2008-11-01

    High fluoride (F(-)) concentrations and acidic pH impair the corrosion resistance of titanium (Ti). Effects of F(-)-containing caries-preventive prophylactic rinses, and gels on Ti were investigated by X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). Human epithelial cell attachment and proliferation were investigated by dimethylthiazol-diphenyl tetrazolium bromide (MTT) and protein content assays. Aqueous 1% NaF solution (3800 ppm F(-), pH 4.5) or high (12,500 ppm) F(-) content gel (pH 4.8) strongly corroded the surface and modified its composition. XPS revealed formation of a strongly bound F(-)-containing complex (Na(2)TiF(6)). AFM indicated an increase in roughness (R(a)) of the surfaces: 10-fold for the NaF solution and smaller for the gel or a mouthwash (250 ppm F(-), pH 4.4). MTT revealed that cell attachment was significantly increased by the gel, but was not disturbed by either the mouthwash or the NaF. Cell proliferation determined by MTT decreased significantly only for the NaF-treated samples; protein content assay experiments showed no such effect. This study indicates that epithelial cell culturing results can depend on the method used, and the adverse effects of a high F(-) concentration and low pH should be considered when prophylactic gels are applied by patients with Ti implants or other dental devices.

  4. Investigation on Surface Polarization of Al2O3-capped GaN/AlGaN/GaN Heterostructure by Angle-Resolved X-ray Photoelectron Spectroscopy.

    Science.gov (United States)

    Duan, Tian Li; Pan, Ji Sheng; Wang, Ning; Cheng, Kai; Yu, Hong Yu

    2017-08-17

    The surface polarization of Ga-face gallium nitride (GaN) (2 nm)/AlGaN (22 nm)/GaN channel (150 nm)/buffer/Si with Al 2 O 3 capping layer is investigated by angle-resolved X-ray photoelectron spectroscopy (ARXPS). It is found that the energy band varies from upward bending to downward bending in the interface region, which is believed to be corresponding to the polarization variation. An interfacial layer is formed between top GaN and Al 2 O 3 due to the occurrence of Ga-N bond break and Ga-O bond forming during Al 2 O 3 deposition via the atomic layer deposition (ALD). This interfacial layer is believed to eliminate the GaN polarization, thus reducing the polarization-induced negative charges. Furthermore, this interfacial layer plays a key role for the introduction of the positive charges which lead the energy band downward. Finally, a N 2 annealing at 400 °C is observed to enhance the interfacial layer growth thus increasing the density of positive charges.

  5. Investigation of the interaction of Greek dolomitic marble with metal aqueous solutions using Rutherford backscattering and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Godelitsas, A.; Kokkoris, M.; Misaelides, P.

    2005-01-01

    The interaction of dolomitic marble from Thassos Island (northern Aegean sea, Greece) with Co 2+ -, Cd 2+ -, Pb 2+ - and Cr 3+ - aqueous solutions (metal concentration: 1000 mgL -1 ) was investigated using Rutherford backscattering (RBS) and X-ray photoelectron spectroscopy (XPS). The initial material as well as the interaction products were also characterized by scanning electron microscopy (SEM/EDS), radioisotope induced X-ray fluorescence analysis (RI-XRFA), powder X-ray diffraction (Powder-XRD) and Fourier transform infra-red spectroscopy (FT-IR). The contact time of the samples with the aqueous solutions was one week and took place under ambient temperature. To our knowledge, the sorption of the above mentioned metals with dolomite (CaMg(CO 3 ) 2 ) has not yet been presented in the literature and the only data available concern the adsorption of Ca, Mg and Nd from NaCl solutions. The Thassos island dolomitic marble is a snow-white homogeneous carbonate metamorphic rock, with fine physicochemical and mechanical properties, currently used as natural building stone in many parts of the world (see http://www.thassosmarble.com), This dolomite-bearing material was also extensively used in the past as construction material of many .classical Greek and Roman sculptures and architectural elements; in 301 AD the Roman emperor Diocletian included 'Thassian marble' in the list of the 19 most expensive and important 'marbles' produced in the imperial quarries. Previous literature presented the isotopic analysis(δ 13 C, δ 18 O) and EPR studies (Mn 2+ and Fe 3+ ) of this stone. The obtained results indicated a limited Cd 2+ - and Co 2+ -sorption on the dissolved surface of the carbonate substrate, whereas, under the same experimental conditions, the Pb 2+ - and Cr 3+ -interaction is more intense leading to extended overgrowth of crystalline Pb-carbonates and surface precipitation of amorphous Cr-hydroxides/oxyhydroxides.

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

    International Nuclear Information System (INIS)

    Davis, R.F.

    1981-11-01

    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

  7. Atomic photoelectron-spectroscopy studies using synchrotron radiation

    International Nuclear Information System (INIS)

    Kobrin, P.H.

    1983-02-01

    Photoelectron spectroscopy combined with tunable synchrotron radiation has been used to study the photoionization process in several atomic systems. The time structure of the synchrotron radiation source at the Stanford Synchrotron Radiation Laboratory (SSRL) was used to record time-of-flight (TOF) photoelectron spectra of gaseous Cd, Hg, Ne, Ar, Ba, and Mn. The use of two TOF analyzers made possible the measurement of photoelectron angular distributions as well as branching ratios and partial cross sections

  8. X-ray and photoelectron spectroscopy of light rare earths

    International Nuclear Information System (INIS)

    Fuggle, J.C.

    1983-01-01

    Core level photoelectron spectroscopy, X-ray absorption spectroscopy, bremsstrahlung isochromat spectroscopy and valence band studies are discussed. Particular emphasis is placed on cerium. Correlation effects, multiplet structure, screening effects and the dynamics of the processes involved are illustrated with selected examples. (Auth.)

  9. Charge transfer and band bending at Au/Pb(Zr0.2Ti0.8)O3 interfaces investigated by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Apostol, Nicoleta G.; Stoflea, Laura E.; Lungu, George A.; Chirila, Cristina; Trupina, Lucian; Negrea, Raluca F.; Ghica, Corneliu; Pintilie, Lucian; Teodorescu, Cristian M.

    2013-01-01

    The growth of gold layers on Pb(Zr,Ti)O 3 (PZT) deposited on SrTiO 3 is investigated by X-ray photoelectron spectroscopy in the Au thickness range 2–100 Å. Two phases are identified, with compositions close to nominal PZT. The ‘standard’ phase is represented by all binding energies (Pb 4f, Ti 2p, Zr 3d, O 1s) sensibly equal to the nominal values for PZT, whereas the ‘charged’ phase exhibits all core levels are shifted by ∼1 eV toward higher binding energies. By taking into account also scanning probe microscopy images together with recent photoemission results, the ‘charged’ phase belongs to P (+) regions of PZT, whereas the ‘normal’ phase corresponds to regions with no net ferroelectric polarization perpendicular to the surface. Au deposition proceeds in a band bending of Φ PZT − Φ Au ∼ 0.4–0.5 eV for both phases, identified as similar shifts toward higher binding energies of all Pb, Ti, Zr, O core levels with Au deposition. The Au 4f core level exhibits also an unusually low binding energy component 1 eV below the ‘nominal’ Au 4f binding energy position (metal Au). This implies the existence of negatively charged gold, or electron transfer from PZT to Au, although the ‘normal’ PZT phase have a higher work function, as it is derived from the band bending. Most probably this charge transfer occurs toward Au nanoparticles, which have even higher ionization energies. High resolution transmission electron microscopy evidenced the formation of such isolated nanoparticles.

  10. Band alignment and interfacial chemical structure of the HfLaO/InGaZnO4 heterojunction investigated by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Qian, Ling-Xuan; Wu, Ze-Han; Zhang, Yi-Yu; Liu, Xing-Zhao; Li, Yan-Rong; Liu, Yuan; Song, Jia-Qi

    2017-01-01

    Amorphous InGaZnO 4 thin film transistors (a-IGZO TFTs) with HfLaO gate dielectrics have been widely demonstrated to possess extremely excellent electrical characteristics, and thus show great potential for applications in various next-generation electronic products. Nevertheless, the in-depth understanding of HfLaO/IGZO interfacial features is still lacking, which makes further device optimization lack clear guidance. In this work, the band alignment and interfacial chemical structure of a sputtering-prepared HfLaO/IGZO heterojunction was investigated through x-ray photoelectron spectroscopy. The valence and conduction band offsets (Δ E v and Δ E c ) at the interface were determined to be 0.57 eV and 1.48 eV, respectively. The relatively large Δ E v is mainly attributed to the formation of the interfacial layer (IL) and thus the upward band bending from IGZO to the surface of HfLaO. Furthermore, it was found that the oxygen vacancies on the surface of IGZO were significantly suppressed upon the deposition of HfLaO, which not only explained the previously reported ultrahigh performance of a-IGZO/HfLaO TFTs to some extent, but also additionally validated the formation of the IL. Our findings have successfully revealed the importance of ILs in modifying the band alignment and interfacial trap states of HfLaO/IGZO heterojunctions, thus suggesting a potential route to further optimizing a-IGZO/HfLaO TFTs so as to satisfy the requirements of next-generation technologies. (paper)

  11. Negative-Ion source for mass selective photodetachment photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Kaesmaier, R.; Baemann, C.; Drechsler, G.; Boesl, U.

    1995-01-01

    We have designed and constructed a negative ion source for mass spectrometry and mass selective photodetachement photoelectron spectroscopy. The characteristics of the source are high anion densities and a large variety of accessible systems. Thus, mass spectra and photoelectron spectra of large unvolatile moelcules (biomolecules), of metal-organic compounds and of molecule water clusters, especially mentioned in this article, have been measured. Combining mass spectrometry, photoelectron spectroscopy (PES) and high resolution ZEKE (zero kinetic energy)-PES (1) should make the apparatus to an ideal diagnostic tool for structural assignment

  12. X-ray Photoelectron Spectroscopy as a tool to investigate silane-based coatings for the protection of outdoor bronze: The role of alloying elements

    Science.gov (United States)

    Masi, G.; Balbo, A.; Esvan, J.; Monticelli, C.; Avila, J.; Robbiola, L.; Bernardi, E.; Bignozzi, M. C.; Asensio, M. C.; Martini, C.; Chiavari, C.

    2018-03-01

    Application of a protective coating is the most widely used conservation treatment for outdoor bronzes (cast Cu-Sn-Zn-Pb-Sb alloys). However, improving coating protectiveness requires detailed knowledge of the coating/substrate chemical bonding. This is particularly the case for 3-mercapto-propyl-trimethoxy-silane (PropS-SH) applied on bronze, exhibiting a good protective behaviour in outdoor simulated conditions. The present work deals with X-Ray Photoelectron Spectroscopy (XPS) and Electron Microscopy (FEG-SEM + FIB (Focused Ion Beam)) characterization of a thin PropS-SH film on bronze. In particular, in order to better understand the influence of alloying elements on coating performance, PropS-SH was studied first on pure Cu and Sn substrates then on bronzes with increasing alloy additions: Cu8Sn as well as a quinary Cu-Sn-Zn-Pb-Sb bronze. Moreover, considering the real application of this coating on historical bronze substrates, previously artificially aged ("patinated") bronze samples were prepared and a comparison between bare and "patinated" quinary bronzes was performed. In the case of coated quinary bronze, the free surface of samples was analysed by High Resolution Photoelectron Spectroscopy using Synchrotron Radiation (HR-SRPES) at ANTARES (Synchrotron SOLEIL), which offers a higher energy and lateral resolution. By compiling complementary spectroscopic and imaging information, a deeper insight into the interactions between the protective coating and the bronze substrate was achieved.

  13. Photoelectron spectroscopy of phosphites and phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Chattopadhyay, S.; Findley, G.L.; McGlynn, S.P.

    1981-01-01

    The ultraviolet photoelectron spectra (UPS) of trimethyl and triethyl phosphite, trimethyl and triethyl phosphate and four substituted phosphates are presented. Assignments are based on analogies to the UPS of phosphorus trichloride and phosphoryl trichloride and are substantiated by CNDO/2 computations. The mechanisms of P-O (axial) bond formation is discussed.

  14. Threshold photoelectron spectroscopy of acetaldehyde and acrolein

    International Nuclear Information System (INIS)

    Yencha, Andrew J.; Siggel-King, Michele R.F.; King, George C.; Malins, Andrew E.R.; Eypper, Marie

    2013-01-01

    Highlights: •High-resolution threshold photoelectron spectrum of acetaldehyde. •High-resolution threshold photoelectron spectrum of acrolein. •High-resolution total photoion yield spectrum of acetaldehyde. •High-resolution total photoion yield spectrum of acrolein. •Determination of vertical ionization potentials in acetaldehyde and acrolein. -- Abstract: High-resolution (6 meV and 12 meV) threshold photoelectron (TPE) spectra of acetaldehyde and acrolein (2-propenal) have been recorded over the valence binding energy region 10–20 eV, employing synchrotron radiation and a penetrating-field electron spectrometer. These TPE spectra are presented here for the first time. All of the band structures observed in the TPE spectra replicate those found in their conventional HeI photoelectron (PE) spectra. However, the relative band intensities are found to be dramatically different in the two types of spectra that are attributed to the different dominant operative formation mechanisms. In addition, some band shapes and their vertical ionization potentials are found to differ in the two types of spectra that are associated with the autoionization of Rydberg states in the two molecules

  15. Investigation on the neutral and anionic BxAlyH2 (x + y = 7, 8, 9) clusters using density functional theory combined with photoelectron spectroscopy.

    Science.gov (United States)

    Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Ding, Lei; Yuan, Tao Li

    2016-08-17

    The structure and bonding nature of neutral and negatively charged BxAlyH2 (x + y = 7, 8, 9) clusters are investigated with the aid of previously published experimental photoelectron spectra combined with the present density functional theory calculations. The comparison between the experimental photoelectron spectra and theoretical simulated spectra helps to identify the ground state structures. The accuracy of the obtained ground state structures is further verified by calculating their adiabatic electron affinities and vertical detachment energies and comparing them against available experimental data. The results show that the structures of BxAlyH2 transform from three-dimensional to planar structures as the number of boron atoms increases. Moreover, boron atoms tend to bind together forming Bn units. The hydrogen atoms prefer to bind with boron atoms rather than aluminum atoms. The analyses of the molecular orbital on the ground state structures further support the abovementioned results.

  16. Band bending in Au/Pb(Zr,Ti)O3 investigated by X-ray photoelectron spectroscopy: Dependence on the initial state of the film

    International Nuclear Information System (INIS)

    Apostol, Nicoleta G.; Stoflea, Laura E.; Lungu, George A.; Tanase, Liviu C.; Chirila, Cristina; Frunza, Ligia; Pintilie, Lucian; Teodorescu, Cristian M.

    2013-01-01

    This work presents a systematic investigation by X-ray photoelectron spectroscopy of the mechanisms of interface formation and band bending for Au/Pb(Zr,Ti)O 3 (PZT) layers grown on SrTiO 3 (001) with a SrRuO 3 buffer layer, as function on the initial state of the PZT surface. After isolating the chemical effects, such as the formation of metal Pb at some surfaces, the evolution of the core levels with Au deposition allows one to simultaneously investigate the Schottky barrier formation and the built-in potential effects (charging induced by the static ferroelectric polarization). Areas of the sample with outwards P (+) and no polarization perpendicular to the surface P (0) are identified for all samples. Only the freshly prepared sample exhibited inward polarization areas P (−) . The built-in potential is on the order of 0.9 eV, while the Schottky band bending ranges from 0.2 to 0.6 eV towards lower absolute energies, therefore indicating that the work function of PZT exceeds that of Au deposited. We report also a chemically differentiate value of the built-in potential, manifested by a preferential distribution of the charge accumulated at the surface on Ti and O atoms. The O 1s and Ti 2p core levels manifest quite strong variations with the Au thickness for freshly prepared samples, resulting in shifts on the order of 2 eV towards lower binding energies. Au deposited on areas with an outward polarization is positively charged by the same potential as atoms from the PZT film (0.8–0.9 eV), whereas Au deposited on areas with an inward polarization forms a continuous grounded layer, which progressively pumps the accumulated charge and removes the polarization of these areas. - Highlights: • Assessment by XPS of areas with different ferroelectric polarization. • Inwards polarized areas identified only on freshly prepared substrates. • Follow-up of the Schottky barrier formed at Au/PZT(001) interfaces. • Inwards polarized areas exhibit higher binding

  17. 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.

  18. Photoelectron spectrometer for attosecond spectroscopy of liquids and gases

    International Nuclear Information System (INIS)

    Jordan, I.; Huppert, M.; Wörner, H. J.; Brown, M. A.; Bokhoven, J. A. van

    2015-01-01

    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

  19. Photoelectron spectrometer for attosecond spectroscopy of liquids and gases

    Science.gov (United States)

    Jordan, I.; Huppert, M.; Brown, M. A.; van Bokhoven, J. A.; Wörner, H. J.

    2015-12-01

    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.

  20. X-ray photoelectron spectroscopy investigation of ion beam sputtered indium tin oxide films as a function of oxygen pressure during deposition

    International Nuclear Information System (INIS)

    Nelson, A.J.; Aharoni, H.

    1987-01-01

    X-ray photoelectron spectroscopy analysis was performed on ion beam sputter deposited films of indium tin oxide as a function of O 2 partial pressure during deposition. The oxygen partial pressure was varied over the range of 2.5 x 10 -6 --4.0 x 10 -5 Torr. Changes in composition as well as in the deconvoluted In 3d 5 /sub // 2 , Sn 3d 5 /sub // 2 , and O 1s core level spectra were observed and correlated with the variation of the oxygen partial pressure during deposition. Results show that the films become increasingly stoichiometric as P/sub =/ is increased and that the excess oxygen introduced during deposition is bound predominantly to the Sn and has little or no effect on the In--O bonding

  1. Photoelectron Imaging Spectroscopy as a Window to Unexpected Molecules

    Science.gov (United States)

    Blackstone, Christopher C.

    2017-06-01

    Targeting an anion with the formula CH_{3}O_{3} for exploration with photoelectron imaging spectroscopy, we determine its identity to be dihydroxymethanolate, an anion largely absent in the literature, and the conjugate base of the hypothetical species orthoformic acid. Comparing the observed photoelectron spectrum to CCSD-EOM-IP and CCSD-EOM-SF calculations completed in QChem and Franck-Condon overlap simulations in PESCAL, we are able to determine with confidence the connectivity of the atoms in this molecule.

  2. Photoelectron spectroscopy of supersonic molecular beams

    International Nuclear Information System (INIS)

    Pollard, J.E.; Trevor, D.J.; Lee, Y.T.; Shirley, D.A.

    1981-01-01

    A high-resolution photoelectron spectrometer which uses molecular beam sampling is described. Photons from a rare-gas resonance lamp or UV laser are crossed with the beam from a differentially pumped supersonic nozzle source. The resulting photoelectrons are collected by an electrostatic analyzer of a unique design consisting of a 90 0 spherical sector preanalyzer, a system of lenses, and a 180 0 hemispherical deflector. A multichannel detection system based on dual microchannel plates with a resistive anode position encoder provides an increase in counting efficiency by a factor of 12 over the equivalent single channel detector. The apparatus has demonstrated an instrumental resolution of better than 10 meV FWHM, limited largely by the photon source linewidth. A quadrupole mass spectrometer is used to characterize the composition of the molecular beam. Extensive differential pumping is provided to protect the critical surfaces of the analyzer and mass spectrometer from contamination. Because of the near elimination of Doppler and rotational broadenings, the practical resolution is the highest yet obtained in molecular PES

  3. Many-electron effects in photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Martin, R.L.

    1976-06-01

    The deviations from Koopmans' one-electron model of photoionization which lead to satellite structure in the photoelectron spectrum are examined within the formalism of configuration interaction (CI). The mechanisms which contribute to satellite intensity may be classified as continuum state configuration interaction, final ionic state configuration interaction, and initial state configuration interaction. The discussion centers around the last two mechanisms, these being the prime contributors to the satellite intensity well above threshold. Specific examples of theoretical ''spectra'' are presented for the F(1s) region of HF and the 1s region of neon. The agreement between theory and experiment is found to be excellent. In these two instances, initial state configuration interaction contributions increase the satellite intensity and are of nearly equal importance to the final ionic state mixing

  4. Angle-resolved photoelectron spectroscopy of cyclopropane

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Whitley, T. A.; Grimm, F. A.

    1985-10-01

    The angular distribution parameter, β, determined for the valence orbitals (IP < 18 eV) of cyclopropane in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β for photoelectron energies between, 2 and 10 eV above threshold was found to be similar to those found previously for other σ orbitals. The effects of Jahn-Teller splitting on β for the 3e' orbital were found to be small but definitely present. The overall shape and magnitude of the β( hv) curve are, however, sufficiently for the different Jahn-Teller components that, for purposes of orbital assignments using β( hv) curves the shape and magnitude of the curves can be considered associated only with the initial state. Resonance photoionization features at a photon ener of ≈ 18 eV were observed in the 3e' and 3a' 1 orbitals and tentatively assigned to autoionization.

  5. Probing deeper by hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Risterucci, P.; Renault, O., E-mail: olivier.renault@cea.fr; Martinez, E.; Delaye, V. [CEA, LETI, MINATEC Campus, 38054 Grenoble Cedex 09 (France); Detlefs, B. [CEA, LETI, MINATEC Campus, 38054 Grenoble Cedex 09 (France); European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Zegenhagen, J. [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Gaumer, C. [STMicroelectronics, 850 rue Jean Monnet, 38926 Crolles (France); Grenet, G. [Institut des Nanotechnologies de Lyon (INL), UMR CNRS 5270, Ecole Centrale de Lyon, 36, avenue Guy de Collongue 69 134 Ecully Cedex (France); Tougaard, S. [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M (Denmark)

    2014-02-03

    We report an hard x-ray photoelectron spectroscopy method combining high excitation energy (15 keV) and improved modelling of the core-level energy loss features. It provides depth distribution of deeply buried layers with very high sensitivity. We show that a conventional approach relying on intensities of the core-level peaks is unreliable due to intense plasmon losses. We reliably determine the depth distribution of 1 ML La in a high-κ/metal gate stack capped with 50 nm a-Si. The method extends the sensitivity of photoelectron spectroscopy to depths beyond 50 nm.

  6. Photoelectron spectroscopy of the 6-azauracil anion.

    Science.gov (United States)

    Chen, Jing; Buonaugurio, Angela; Dolgounitcheva, Olga; Zakrzewski, V G; Bowen, Kit H; Ortiz, J V

    2013-02-14

    We report the photoelectron spectrum of the 6-azauracil anion. The spectrum is dominated by a broad band exhibiting a maximum at an electron binding energy (EBE) of 1.2 eV. This spectral pattern is indicative of a valence anion. Our calculations were carried out using ab initio electron propagator and other many-body methods. Comparison of the anion and corresponding neutral of 6-azauracil with those of uracil shows that substituting a nitrogen atom for C-H at the C6 position of uracil gives rise to significant changes in the electronic structure of 6-azauracil versus that of uracil. The adiabatic electron affinity (AEA) of the canonical 6-azauracil tautomer is substantially larger than that of canonical uracil. Among the five tautomeric, 6-azauracil anions studied computationally, the canonical structure was found to be the most stable. The vertical detachment energies (VDE) of the canonical, valence-bound anion of 6-azauracil and its closest "very-rare" tautomer have been calculated. Electron propagator calculations on the canonical anion yield a VDE value that is in close agreement with the experimentally determined VDE value of 1.2 eV. The AEA value of 6-azauracil, assessed at the CCSD(T) level of theory to be 0.5 eV, corresponds with the EBE value of the onset of the experimental spectrum.

  7. Unitary bases for x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Patterson, C.W.; Harter, W.G.; Schneider, W.D.

    1979-01-01

    A Gelfand basis is used to derive the coefficients of fractional parentage (CFP's) used to calculate intensities for x-ray photoelectron spectroscopy of atoms. Using associated Gelfand bases, we show that it is easy to derive the Racah CFP relations between particles and holes

  8. 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)

    Marczynski-Buehlow, Martin

    2012-01-01

    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

  9. 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

  10. Application of near ambient pressure gas-phase X-ray photoelectron spectroscopy to the investigation of catalytic properties of copper in methanol oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Prosvirin, Igor P., E-mail: prosvirin@catalysis.ru [Boreskov Institute of Catalysis, Lavrentieva ave. 5, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Bukhtiyarov, Andrey V., E-mail: avb@catalysis.ru [Boreskov Institute of Catalysis, Lavrentieva ave. 5, 630090 Novosibirsk (Russian Federation); Research and Educational Center for Energy Efficient Catalysis, Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Bluhm, Hendrik, E-mail: hbluhm@lbl.gov [Chemical Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States); Bukhtiyarov, Valerii I., E-mail: vib@catalysis.ru [Boreskov Institute of Catalysis, Lavrentieva ave. 5, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Research and Educational Center for Energy Efficient Catalysis, Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation)

    2016-02-15

    Graphical abstract: - Highlights: • Selective oxidation of CH{sub 3}OH to CH{sub 2}O over a Cu foil has been studied by in situ gas phase XPS. • C1s and O1s spectra were used for identification of reagents and reaction products in a gas phase. • Catalytic data (conversions and reaction products yields) calculated from XPS spectra are in a good agreement with QMS results. • The possible reasons of the observed variations in reaction mechanism have been discussed. - Abstract: Application of near ambient pressure (NAP) X-ray photoelectron spectroscopy for characterization of catalytic properties of a heterogeneous catalyst through measurement and analysis of the core-level spectra from gas phase constituents, which become measurable in submillibar pressure range, has been demonstrated for the reaction of methanol oxidation over polycrystalline copper foil. To improve the accuracy of quantitative analysis of the gas phase signals for the routine XPS spectrometer with double Al/Mg anode used in these experiments, the sample was removed from XPS analysis zone, but it was still located in high-pressure gas cell. As consequence, only gas phase peaks from reagents and reaction products have been observed in XPS spectra. Quantitative analysis of the spectra has allowed us to calculate conversions of the reagents and yields of the reaction products, or, other words, to characterize the catalytic properties of the catalyst and to track their changes with temperature. Further comparison of the catalytic properties with concentration of the surface species measured by in situ XPS in separate experiments, but under the same conditions, gives a possibility to discuss the reaction mechanisms.

  11. Attosecond photoelectron spectroscopy of electron transport in solids

    International Nuclear Information System (INIS)

    Magerl, Elisabeth

    2011-01-01

    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. 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

  13. Recent trends in spin-resolved photoelectron spectroscopy

    Science.gov (United States)

    Okuda, Taichi

    2017-12-01

    Since the discovery of the Rashba effect on crystal surfaces and also the discovery of topological insulators, spin- and angle-resolved photoelectron spectroscopy (SARPES) has become more and more important, as the technique can measure directly the electronic band structure of materials with spin resolution. In the same way that the discovery of high-Tc superconductors promoted the development of high-resolution angle-resolved photoelectron spectroscopy, the discovery of this new class of materials has stimulated the development of new SARPES apparatus with new functions and higher resolution, such as spin vector analysis, ten times higher energy and angular resolution than conventional SARPES, multichannel spin detection, and so on. In addition, the utilization of vacuum ultra violet lasers also opens a pathway to the realization of novel SARPES measurements. In this review, such recent trends in SARPES techniques and measurements will be overviewed.

  14. Total reflection X-ray photoelectron spectroscopy: A review

    International Nuclear Information System (INIS)

    Kawai, Jun

    2010-01-01

    Total reflection X-ray photoelectron spectroscopy (TRXPS) is reviewed and all the published papers on TRXPS until the end of 2009 are included. Special emphasis is on the historical development. Applications are also described for each report. The background reduction is the most important effect of total reflection, but interference effect, relation to inelastic mean free path, change of probing depth are also discussed.

  15. Recent applications of hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weiland, Conan; Woicik, Joseph C., E-mail: Joseph.Woicik@NIST.gov [National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Rumaiz, Abdul K. [National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, New York 11973 (United States); Pianetta, Piero [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

    2016-05-15

    Recent applications of hard x-ray photoelectron spectroscopy (HAXPES) demonstrate its many capabilities in addition to several of its limitations. Examples are given, including measurement of buried interfaces and materials under in situ or in operando conditions, as well as measurements under x-ray standing-wave and resonant excitation. Physical considerations that differentiate HAXPES from photoemission measurements utilizing soft x-ray and ultraviolet photon sources are also presented.

  16. Photoelectron spectroscopy via electronic spectroscopy of molecular ions

    International Nuclear Information System (INIS)

    Khan, Z.H.

    1990-01-01

    In this work, a new aspect of the correlation between optical and photoelectron spectra is discussed on the basis of which the first ionization potentials of condensed-ring aromatics can be estimated from certain features in the electronic spectra of their positive ions. Furthermore, it is noticed that the first IP's are very sensitive to molecular size as the latter's inclusion in the regression formulas improves the results considerably. Once the first ionization potential for a molecule is determined, its higher IP's may be computed if the lower-energy electronic bands for its cation are known. This procedure is especially useful for such systems whose uv photoelectron spectra are unknown. (author). 11 refs, 10 figs, 1 tab

  17. Depth-profiling using X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Pijolat, M.; Hollinger, G.

    1980-12-01

    The possibilities of X-ray photoelectron spectroscopy (or ESCA) for depth-profiling into shallow depths (approximately 10-100 A) have been studied. The method of ion-sputtering removal has first been investigated in order to improve its depth-resolution (approximately 50-150 A). A procedure which eliminates the effects due to the resolution function of the instrumental probe (analysed depth approximately 50 A) has been settled; but it is not yet sufficient, and the sputter - broadening due to the ion-induced damages must be taken into account (broadening function approximately 50 A for approximately 150 A removal). Because of serious difficulties in estimating the broadening function an alternative is to develop non destructive methods, so a new method based on the dependence of the analysed depth with the electron emission angle is presented. The extraction of the concentration profile from angular distribution experiments is achieved, in the framework of a flat-layer model, by minimizing the difference between theoretical and experimental relative intensities. The applicability and limitations of the method are discussed on the basis of computer simulation results. The depth probed is of the order of 3 lambda (lambda being the value of the inelastic mean free path, typically 10-20 A) and the depth-resolution is of the order of lambda/3 [fr

  18. High energy photoelectron spectroscopy in basic and applied science: Bulk and interface electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Knut, Ronny; Lindblad, Rebecka [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden); Gorgoi, Mihaela [Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany); Rensmo, Håkan [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden); Karis, Olof, E-mail: olof.karis@physics.uu.se [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden)

    2013-10-15

    Highlights: •We demonstrate how hard X-ray photoelectron spectroscopy can be used to investigate interface properties of multilayers. •By combining HAXPES and statistical methods we are able to provide quantitative analysis of the interface diffusion process. •We show how photoionization cross sections can be used to map partial density of states contributions to valence states. •We use HAXPES to provide insight into the valence electronic structure of e.g. multiferroics and dye-sensitized solar cells. -- Abstract: With the access of new high-performance electron spectrometers capable of analyzing electron energies up to the order of 10 keV, the interest for photoelectron spectroscopy has grown and many new applications of the technique in areas where electron spectroscopies were considered to have limited use have been demonstrated over the last few decades. The technique, often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES), to distinguish the experiment from X-ray photoelectron spectroscopy performed at lower energies, has resulted in an increasing interest in photoelectron spectroscopy in many areas. The much increased mean free path at higher kinetic energies, in combination with the elemental selectivity of the core level spectroscopies in general has led to this fact. It is thus now possible to investigate the electronic structure of materials with a substantially enhanced bulk sensitivity. In this review we provide examples from our own research using HAXPES which to date has been performed mainly at the HIKE facility at the KMC-1 beamline at HZB, Berlin. The review exemplifies the new opportunities using HAXPES to address both bulk and interface electronic properties in systems relevant for applications in magnetic storage, energy related research, but also in purely curiosity driven problems.

  19. High energy photoelectron spectroscopy in basic and applied science: Bulk and interface electronic structure

    International Nuclear Information System (INIS)

    Knut, Ronny; Lindblad, Rebecka; Gorgoi, Mihaela; Rensmo, Håkan; Karis, Olof

    2013-01-01

    Highlights: •We demonstrate how hard X-ray photoelectron spectroscopy can be used to investigate interface properties of multilayers. •By combining HAXPES and statistical methods we are able to provide quantitative analysis of the interface diffusion process. •We show how photoionization cross sections can be used to map partial density of states contributions to valence states. •We use HAXPES to provide insight into the valence electronic structure of e.g. multiferroics and dye-sensitized solar cells. -- Abstract: With the access of new high-performance electron spectrometers capable of analyzing electron energies up to the order of 10 keV, the interest for photoelectron spectroscopy has grown and many new applications of the technique in areas where electron spectroscopies were considered to have limited use have been demonstrated over the last few decades. The technique, often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES), to distinguish the experiment from X-ray photoelectron spectroscopy performed at lower energies, has resulted in an increasing interest in photoelectron spectroscopy in many areas. The much increased mean free path at higher kinetic energies, in combination with the elemental selectivity of the core level spectroscopies in general has led to this fact. It is thus now possible to investigate the electronic structure of materials with a substantially enhanced bulk sensitivity. In this review we provide examples from our own research using HAXPES which to date has been performed mainly at the HIKE facility at the KMC-1 beamline at HZB, Berlin. The review exemplifies the new opportunities using HAXPES to address both bulk and interface electronic properties in systems relevant for applications in magnetic storage, energy related research, but also in purely curiosity driven problems

  20. Angle-resolved photoelectron spectroscopy of formaldehyde and methanol

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Grimm, F. A.; Carlson, Thomas A.

    1984-10-01

    Angle-resolved photoelectron spectroscopy was employed to obtain the angular distribution parameter, β, for the valence orbitals (IP < 21.1 eV) of formaldehyde and methanol over the 10-30 eV photon energy range using dispersed polarized synchrotron radiation as the excitation source. It was found that the energy dependence of β in the photoelectron energy range between 2 and 10 eV can be related to the molecular-orbital type from which ionization occurs. This generalized energy behavior is discussed with regard to earlier energy-dependence studies on molecules of different orbital character. Evidence is presented for the presence of resonance photoionization phenomena in formaldehyde in agreement with theoretical cross-section calculations.

  1. Investigation of Cu-poor and Cu-rich Cu(In,Ga)Se{sub 2}/CdS interfaces using hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ümsür, B., E-mail: buenyamin.uemsuer@helmholtz-berlin.de [Helmholtz-Zentrum-Berlin, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Calvet, W.; Höpfner, B.; Steigert, A.; Lauermann, I.; Gorgoi, M.; Prietzel, K.; Navirian, H.A.; Kaufmann, C.A.; Unold, T. [Helmholtz-Zentrum-Berlin, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Lux-Steiner, M. Ch. [Helmholtz-Zentrum-Berlin, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Freie Universität Berlin, Department of Physics, Arnimallee 14, D-14195 Berlin (Germany)

    2015-05-01

    Cu-poor and Cu-rich Cu(In,Ga)Se{sub 2} (CIGSe) absorbers were used as substrates for the chemical bath deposition of ultrathin CdS buffer layers in the thickness range of a few nanometers in order to make the CIGSe/CdS interface accessible by hard X-ray photo-emission spectroscopy. The composition of both, the absorber and the buffer layer as well as the energetics of the interface was investigated at room temperature and after heating the samples to elevated temperatures (200 °C, 300 °C and 400 °C). It was found that the amount of Cd after the heating treatment depends on the near surface composition of the CIGSe absorber. No Cd was detected on the Cu-poor surface after the 400 °C treatment due to its diffusion into the CIGSe layer. In contrast, Cd was still present on the Cu-rich surface after the same treatment at 400 °C. - Highlights: • Cd diffusion into Cu(In,Ga)Se{sub 2} (CIGSe) absorber is investigated. • Cu-poor and Cu-rich CIGSe samples are compared. • Cd diffusion into CIGSe is found to be dependent on the surface composition of CIGSe.

  2. Time-resolved photoelectron spectroscopy of nitrobenzene and its aldehydes

    Science.gov (United States)

    Schalk, Oliver; Townsend, Dave; Wolf, Thomas J. A.; Holland, David M. P.; Boguslavskiy, Andrey E.; Szöri, Milan; Stolow, Albert

    2018-01-01

    We report the first femtosecond time-resolved photoelectron spectroscopy study of 2-, 3- and 4-nitrobenzaldehyde (NBA) and nitrobenzene (NBE) in the gas phase upon excitation at 200 nm. In 3- and 4-NBA, the dynamics follow fast intersystem crossing within 1-2 picoseconds. In 2-NBA and NBE, the dynamics are faster (∼ 0.5 ps). 2-NBA undergoes hydrogen transfer similar to solution phase dynamics. NBE either releases NO2 in the excited state or converts internally back to the ground state. We discuss why these channels are suppressed in the other nitrobenzaldehydes.

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

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Madsen, Lars Bojer

    2009-01-01

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

  4. Monochromatization of synchrotron radiation for studies in photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Murty, P.S.

    1981-01-01

    Synchrotron radiation provides a tunable photon source which bridges the wavelength gap between HeI and AlKsub(α) radiation sources in photoelectron spectroscopy. The essential component for using synchrotron radiation is a monochromator. Some design features of the monochromators fabricated at Stanford, U.S.A., and Orsay, France, are described. The Stanford monochromator is a silicon crystal monochromator yielding 8 keV X-ray beam and is used with SPEAR storage ring facility, while the Orsay monochromator is a grazing incidence grating monochromator used for UPS studies. (M.G.B.)

  5. Time-resolved photoelectron spectroscopy using synchrotron radiation time structure

    International Nuclear Information System (INIS)

    Bergeard, N.; Silly, M.G.; Chauvet, C.; Guzzo, M.; Ricaud, J.P.; Izquierdo, M.; Sirotti, F.; Krizmancic, D.; Guzzo, M.; Stebel, L.; Pittana, P.; Sergo, R.; Cautero, G.; Dufour, G.; Rochet, F.

    2011-01-01

    Synchrotron radiation time structure is becoming a common tool for studying dynamic properties of materials. The main limitation is often the wide time domain the user would like to access with pump-probe experiments. In order to perform photoelectron spectroscopy experiments over time scales from milliseconds to picoseconds it is mandatory to measure the time at which each measured photoelectron was created. For this reason the usual CCD camera based two-dimensional detection of electron energy analyzers has been replaced by a new delay-line detector adapted to the time structure of the SOLEIL synchrotron radiation source. The new two-dimensional delay-line detector has a time resolution of 5 ns and was installed on a Scienta SES 2002 electron energy analyzer. The first application has been to characterize the time of flight of the photo emitted electrons as a function of their kinetic energy and the selected pass energy. By repeating the experiment as a function of the available pass energy and of the kinetic energy, a complete characterization of the analyzer behaviour in the time domain has been obtained. Even for kinetic energies as low as 10 eV at 2 eV pass energy, the time spread of the detected electrons is lower than 140 ns. These results and the time structure of the SOLEIL filling modes assure the possibility of performing pump-probe photoelectron spectroscopy experiments with the time resolution given by the SOLEIL pulse width, the best performance of the beamline and of the experimental station. (authors)

  6. 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

  7. Probing molecular orientations in thin films by x-ray photoelectron spectroscopy

    Science.gov (United States)

    Li, Y.; Li, P.; Lu, Z.-H.

    2018-03-01

    A great number of functional organic molecules in active thin-film layers of optoelectronic devices have highly asymmetric structures, such as plate-like, rod-like, etc. This makes molecular orientation an important aspect in thin-films as it can significantly affect both the optical and electrical performance of optoelectronic devices. With a combination of in-situ ultra violet photoelectron spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) investigations for organic molecules having a broad range of structural properties, we discovered a rigid connection of core levels and frontier highest occupied molecular orbital levels at organic interfaces. This finding opens up opportunities of using X-ray photoemission spectroscopy as an alternative tool to UPS for providing an easy and unambiguous data interpretation in probing molecular orientations.

  8. Probing molecular orientations in thin films by x-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    Y. Li

    2018-03-01

    Full Text Available A great number of functional organic molecules in active thin-film layers of optoelectronic devices have highly asymmetric structures, such as plate-like, rod-like, etc. This makes molecular orientation an important aspect in thin-films as it can significantly affect both the optical and electrical performance of optoelectronic devices. With a combination of in-situ ultra violet photoelectron spectroscopy (UPS and x-ray photoelectron spectroscopy (XPS investigations for organic molecules having a broad range of structural properties, we discovered a rigid connection of core levels and frontier highest occupied molecular orbital levels at organic interfaces. This finding opens up opportunities of using X-ray photoemission spectroscopy as an alternative tool to UPS for providing an easy and unambiguous data interpretation in probing molecular orientations.

  9. In situ investigations of laser and thermally modified As.sub.2./sub.S.sub.3./sub. nanolayers: synchrotron radiation photoelectron spectroscopy and density functional theory calculations

    Czech Academy of Sciences Publication Activity Database

    Kondrat, O.; Holomb, R.; Popovich, N.; Mitsa, V.; Veres, M.; Csik, A.; Feher, A.; Tsud, N.; Vondráček, Martin; Matolín, V.; Prince, K. C.

    2015-01-01

    Roč. 118, č. 22 (2015), "225307-1"-"225307-7" ISSN 0021-8979 R&D Projects: GA MŠk(CZ) LM2011029 Institutional support: RVO:68378271 Keywords : As 2 S 3 * photoemission spectroscopy * DFT * nanolayer * laser illumination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.101, year: 2015

  10. Ultrafast photoelectron spectroscopy of small molecule organic films

    Science.gov (United States)

    Read, Kendall Laine

    As research in the field of ultrafast optics has produced shorter and shorter pulses, at an ever-widening range of frequencies, ultrafast spectroscopy has grown correspondingly. In particular, ultrafast photoelectron spectroscopy allows direct observation of electrons in transient or excited states, regardless of the eventual relaxation mechanisms. High-harmonic conversion of 800nm, femtosecond, Ti:sapphire laser pulses allows excite/probe spectroscopy down into atomic core level states. To this end, an ultrafast, X-UV photoelectron spectroscopic system is described, including design considerations for the high-harmonic generation line, the time of flight detector, and the subsequent data collection electronics. Using a similar experimental setup, I have performed several ultrafast, photoelectron excited state decay studies at the IBM, T. J. Watson Research Center. All of the observed materials were electroluminescent thin film organics, which have applications as the emitter layer in organic light emitting devices. The specific materials discussed are: Alq, BAlq, DPVBi, and Alq doped with DCM or DMQA. Alq:DCM is also known to lase at low photoexcitation thresholds. A detailed understanding of the involved relaxation mechanisms is beneficial to both applications. Using 3.14 eV excite, and 26.7 eV probe, 90 fs laser pulses, we have observed the lowest unoccupied molecular orbital (LUMO) decay rate over the first 200 picoseconds. During this time, diffusion is insignificant, and all dynamics occur in the absence of electron transport. With excitation intensities in the range of 100μJ/cm2, we have modeled the Alq, BAlq, and DPVBi decays via bimolecular singlet-singlet annihilation. At similar excitations, we have modeled the Alq:DCM decay via Förster transfer, stimulated emission, and excimeric formation. Furthermore, the Alq:DCM occupied to unoccupied molecular orbital energy gap was seen to shrink as a function of excite-to-probe delay, in accordance with the

  11. Negative ion photoelectron spectroscopy of SeO-

    International Nuclear Information System (INIS)

    Coe, J.V.; Snodgrass, J.T.; Freidhoff, C.B.; McHugh, K.M.; Bowen, K.H.

    1985-01-01

    Negative ion photoelectron spectroscopy (NIPES) involves a kinetic energy analysis of electrons which are photodetached when a mass selected beam of negative ions is crossed with a fixed frequency laser beam. The photodetachment spectra of SeO - displays transitions from the X 2 PI state of SeO - to both the X 3 Σ - and a 1 Δ states of SeO. The singlet-triplet splitting of SeO is readily observable since selection rules regarding spin do not apply in the bound to free state process of photodetachment. The electron affinity of SeO and the negative ion potential parameters of SeO - have been determined

  12. Slow photoelectron imaging spectroscopy of CCO- and CCS-.

    Science.gov (United States)

    Garand, Etienne; Yacovitch, Tara I; Neumark, Daniel M

    2008-08-21

    High-resolution photodetachment spectra of CCO(-) and CCS(-) using slow photoelectron velocity-map imaging spectroscopy are reported. Well-resolved transitions to the neutral X (3)Sigma(-), a (1)Delta, b (1)Sigma(+), and A (3)Pi states are seen for both species. The electron affinities of CCO and CCS are determined to be 2.3107+/-0.0006 and 2.7475+/-0.0006 eV, respectively, and precise term energies for the a (1)Delta, b (1)Sigma(+), and A (3)Pi excited states are also determined. The two low-lying singlet states of CCS are observed for the first time, as are several vibronic transitions within the four bands. Analysis of hot bands finds the spin-orbit orbit splitting in the X (2)Pi ground state of CCO(-) and CCS(-) to be 61 and 195 cm(-1), respectively.

  13. Understanding interface properties from high kinetic energy photoelectron spectroscopy and first principles theory

    International Nuclear Information System (INIS)

    Granroth, Sari; Olovsson, Weine; Holmstroem, Erik; Knut, Ronny; Gorgoi, Mihaela; Svensson, Svante; Karis, Olof

    2011-01-01

    Advances in instrumentation regarding 3rd generation synchrotron light sources and electron spectrometers has enabled the field of high kinetic energy photoelectron spectroscopy (HIKE) (also often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES)). Over the last years, the amount of investigations that relies on the HIKE method has increased dramatically and can arguably be said to have given a rebirth of the interest in photoelectron spectroscopy in many areas. It is in particular the much increased mean free path at higher kinetic energies in combination with the elemental selectivity of the core level spectroscopies in general that has lead to this fact, as it makes it possible to investigate the electronic structure of materials with a substantially reduced surface sensitivity. In this review we demonstrate how HIKE can be used to investigate the interface properties in multilayer systems. Relative intensities of the core level photoelectron peaks and their chemical shifts derived from binding energy changes are found to give precise information on physico-chemical properties and quality of the buried layers. Interface roughening, including kinetic properties such as the rate of alloying, and temperature effects on the processes can be analyzed quantitatively. We will also provide an outline of the theoretical framework that is used to support the interpretation of data. We provide examples from our own investigations of multilayer systems which comprises both systems of more model character and a multilayer system very close to real applications in devices that are considered to be viable alternative to the present read head technology. The experimental data presented in this review is exclusively recorded at the BESSY-II synchrotron at the Helmholtz-Zentrum Berlin fuer Materialien und Energie. This HIKE facility is placed at the bending magnet beamline KMC-1, which makes it different from several other facilities which relies on undulators as

  14. Thorium effect on the oxidation of uranium: Photoelectron spectroscopy (XPS/UPS) and cyclic voltammetry (CV) investigation on (U1 − xThx)O2 (x = 0 to 1) thin films

    NARCIS (Netherlands)

    Cakir, P.; Eloirdi, R; Huber, F.; Konings, R.J.M.; Gouder, T

    2017-01-01

    Thin films of U1− xThxO2 (x = 0 to 1) have been deposited via reactive DC sputter technique and characterized by X-ray/Ultra-violet Photoelectron Spectroscopy (XPS/UPS), X-ray Powder Diffractometer (XRD) and Cyclic Voltammetry (CV) in order to understand the

  15. Carbon-13 spin lattice relaxation and photoelectron spectroscopy of some aromatic sulphides and sulphones

    International Nuclear Information System (INIS)

    Mellink, W.A.

    1978-01-01

    Carbon-13 NMR spectroscopy and photoelectron spectroscopy have been used to study the electronic structure of symmetric dithienothiophenes and corresponding sulphones. The physical data obtained from both spectroscopic techniques have been interpreted with the aid of quantum mechanical calculations. (Auth.)

  16. Introduction to x-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    Liesegang, J.; Pigram, P.J.

    1999-01-01

    Full text: XPS is one of several important surface analytical tools. Developed in Sweden in the 1960s, it was originally named by Kai Siegbahn as Electron Spectroscopy for Chemical Analysis or ESCA; and although it is the best method for non-invasively determining the elemental composition of the first 10 nm of any surface, modern XPS systems are capable of much more than elemental chemical analysis. High resolution photoelectron energy analysis (c. 0.2 eV) now permits easy identification of chemical state as well as concentration; angular variation of detection and depth profiling allow quantitative analysis as a function of depth below a sample surface; energy loss mechanisms may be studied; Auger peaks can be measured in an XPS system; and developments in the area of photoelectron imaging allow high resolution (c. 7 μm) mapping of the distribution of elements and their chemical states to be determined spatially on non-homogeneous surfaces. The workshop sessions will outline the link between the physics and chemistry of surfaces and the process of photoemission. The presentation will illustrate the features and capabilities of a newly acquired Kratos (UK) Axis Ultra XPS and Imaging System recently installed in the Centre for Materials and Surface Science at La Trobe University, and its capabilities regarding the foregoing issues. The first part of the presentation will outline the basics of XPS and the second part will illustrate its usefulness, and in particular, will illustrate the power of the instrumentation through the presentation of several applications of both fundamental and industrial significance. Copyright (1999) Australian X-ray Analytical Association Inc

  17. Surface analysis of Al alloys with X-ray photoelectron and Auger electron spectroscopies

    International Nuclear Information System (INIS)

    Sakairi, Masatoshi; Suzuki, Keita; Sasaki, Ryo

    2015-01-01

    In this paper, X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) were applied to investigate passive films formed on aluminum alloy in 0.5 kmol m -3 H 3 BO 3 /0.05 kmol m -3 Na 2 B 4 O 7 with different metal cations. The metal cation is classified by metal cation hardness, X, which are calculated based on the concept of hard and soft acids and bases (HSAB) of the acid and base in Lewis's rule. From XPS analysis, the metal cations with X > 4 were incorporated in passive films. The area-selected surface analysis of AES was also introduced. (author)

  18. Threshold photoelectron spectroscopy and photoionization total ion yield spectroscopy of simple organic acids, aldehydes, ketones and amines

    International Nuclear Information System (INIS)

    Yencha, Andrew J; Malins, Andrew E R; Siggel-King, Michele R F; Eypper, Marie; King, George C

    2009-01-01

    We have initiated a research program to investigate the ionization behavior of some simple organic molecules containing the carboxyl group (R 2 C=O), where R could be H, OH, NH 2 , or CH 3 or other aliphatic or aromatic carbon groups, using threshold photoelectron spectroscopy and photoionization total ion yield spectroscopy. We report here on the simplest organic acid, formic acid, and two simple aldehydes: acetaldehyde and the simplest unsaturated aldehyde, 2-propenal (acrolein). The objective of this study was to characterize the valence cationic states of these molecules with vibrational structural resolution.

  19. Core level photoelectron spectroscopy probed heterogeneous xenon/neon clusters

    International Nuclear Information System (INIS)

    Pokapanich, Wandared; Björneholm, Olle; Öhrwall, Gunnar; Tchaplyguine, Maxim

    2017-01-01

    Binary rare gas clusters; xenon and neon which have a significant contrariety between sizes, produced by a co-expansion set up and have been studied using synchrotron radiation based x-ray photoelectron spectroscopy. Concentration ratios of the heterogeneous clusters; 1%, 3%, 5% and 10% were controlled. The core level spectra were used to determine structure of the mixed cluster and analyzed by considering screening mechanisms. Furthermore, electron binding energy shift calculations demonstrated cluster aggregation models which may occur in such process. The results showed that in the case of low mixing ratios of 3% and 5% of xenon in neon, the geometric structures exhibit xenon in the center and xenon/neon interfaced in the outer shells. However, neon cluster vanished when the concentration of xenon was increased to 10%. - Highlights: • Co-expansion setup is suitable for producing binary Xe/Ne clusters. • Appropriate temperature, pressure, and mixing ratios should be strictly controlled. • Low mixing ratio, Xe formed in the core and Xe/Ne interfacing in the outer shell. • High mixing ratio, only pure Xe clusters were detected.

  20. Theory of photoelectron spectroscopy for organic molecules and their crystals

    Energy Technology Data Exchange (ETDEWEB)

    Fujikawa, Takashi, E-mail: tfujikawa@faculty.chiba-u.jp; Niki, Kaori; Sakuma, Hiroto

    2015-10-01

    Highlights: • Some specific features in photoemission theory from organic solids are reviewed. • Extrinsic and intrinsic effects are discussed. • Photoemission from extended levels is compared with that from core levels. • First principle many-body theories are discussed on the basis of nonequilibrium Green's functions. - Abstract: In this short review we discuss recent progress in photoemission theory for organic molecules and their crystals. We discuss some important features in Keldysh Green's function theory for the photoemission. We briefly discuss many-body aspects in photoemission from core and extended levels. In particular phonon effects are investigated in more detail since organic solids are typically soft where electron–phonon interaction is important. Debye–Waller factor suppresses the interference effects of photoelectron waves which makes ARPES analyses useless, particularly in high energy region.

  1. Study of transition metal oxides by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Rao, C.N.R.; Sarma, D.D.; Vasudevan, S.; Hegde, M.S.

    1979-01-01

    Systematics in the X-ray photoelectron spectra (X.p.e.s.) of Ti, V, Cr, Mn and Nb oxides with the metal ion in different oxidation states as well as of related series of mono-, sesqui- and di-oxides of the first row of transition metals have been investigated in detail. Core level binding energies, spin-orbit splittings and exchange splittings are found to exhibit interesting variations with the oxidation state of the metal or the nuclear charge. The 3d binding energies of the monoxides show a proportionality to Goodenough's (R - RC). Other aspects of interest in the study are the satellite structure and final state effects in the X.p.e.s. of the oxides, and identification of different valence states in oxides of the general formulae Mn02n-1 and M304. The nature of changes in the 3d bands of oxides undergoing metal-insulator transitions is also indicated. (author)

  2. Theory of photoelectron spectroscopy for organic molecules and their crystals

    International Nuclear Information System (INIS)

    Fujikawa, Takashi; Niki, Kaori; Sakuma, Hiroto

    2015-01-01

    Highlights: • Some specific features in photoemission theory from organic solids are reviewed. • Extrinsic and intrinsic effects are discussed. • Photoemission from extended levels is compared with that from core levels. • First principle many-body theories are discussed on the basis of nonequilibrium Green's functions. - Abstract: In this short review we discuss recent progress in photoemission theory for organic molecules and their crystals. We discuss some important features in Keldysh Green's function theory for the photoemission. We briefly discuss many-body aspects in photoemission from core and extended levels. In particular phonon effects are investigated in more detail since organic solids are typically soft where electron–phonon interaction is important. Debye–Waller factor suppresses the interference effects of photoelectron waves which makes ARPES analyses useless, particularly in high energy region.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-01-01

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

  4. 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.

  5. Locally resolved investigation of wedged Cu(In,Ga)Se{sub 2} films prepared by physical vapor deposition using hard X-ray photoelectron and X-ray fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Calvet, Wolfram, E-mail: wolfram.calvet@helmholtz-berlin.de [Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Ümsür, Bünyamin; Höpfner, Britta; Lauermann, Iver; Prietzel, Karsten; Kaufmann, Christan A.; Unold, Thomas [Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Lux-Steiner, Martha C. [Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Freie Universität Berlin, Department of Physics, Arnimallee 14, D-14195 Berlin (Germany)

    2015-05-01

    We have investigated a specially grown Cu(In,Ga)Se{sub 2} (CIGSe) absorber, which was deposited by co-evaporation of Cu, In, Ga, and Se using a modified three stage process. Prior to the growth, the molybdenum-coated glass substrate was covered by a bent shroud made from tantalum (Ta), leading to a wedged absorber structure with a width of about 2 mm where the film thickness varies from 0 to 2 μm. In this region of interest the thickness dependency of morphology, concentration ratios and electronic properties was studied with secondary electron microscopy (SEM), X-ray fluorescence (XRF) and hard X-ray photoelectron spectroscopy (HAXPES), probing the CIGSe sample along the thickness gradient. The evidence of the thickness gradient itself was proven with SEM measurements in cross section geometry. By using XRF it was found that with decreasing film thickness the Cu concentration decreases significantly. This finding was also verified by HAXPES measurements. Furthermore, an enrichment of Ga towards the Mo back contact was found using the same technique. Besides these results the formation of a molybdenum selenide (MoSe) phase was observed on the fully covered part of the Mo coated substrate indicating a high mobility of Se on Mo under the given temperature conditions of the modified three stage deposition process. - Highlights: • Growth of a CIGSe wedge • Application of HAXPES and XRF as local probing techniques • Good agreement with former studies • Wedged CIGSe structures can be used for further, locally resolved experiments.

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

    International Nuclear Information System (INIS)

    Lynch, D.W.

    2004-01-01

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

  7. X-ray photoelectron spectroscopy study of synchrotron radiation irradiation of a polytetrafluoroethylene surface

    CERN Document Server

    Haruyama, Y; Matsui, S; Ideta, T; Ishigaki, H

    2003-01-01

    The effect of synchrotron radiation (SR) irradiation of a polytetrafluoroethylene (PTFE) surface was investigated using X-ray photoelectron spectroscopy (XPS). After the SR irradiation, the relative intensity of the F ls peak to the C ls peak decreased markedly. The chemical composition ratio to the F atoms to C atoms was estimated to be 0.29. From the curve fitting analysis of C ls and F ls XPS spectra, the chemical components and their intensity ratio were determined. The reason for the chemical composition change by the SR irradiation was discussed. (author)

  8. Assessment of nanocomposite photonic systems with the X-ray photoelectron spectroscopy

    Institute of Scientific and Technical Information of China (English)

    L. Minati; G. Speranza; M. Anderle; M. Ferrari; A. Chiasera; G. C. Righini

    2007-01-01

    The chemical compositions of Ag-Er co-doped phosphate and silicate glasses were investigated with X-ray photoelectron spectroscopy with the purpose to identify the chemical state of silver. The analysis of the Ag 3d core lines show the presence of nanometer-sized silver particles in each of the annealed samples, even if these Ag 3d lines appear to be very different from each other. We explain these results as a different interaction of silver with the two glasses matrix, which leads to a different nucleation rate of the Ag clusters.

  9. X-ray photoelectron spectroscopy of HUPA organic substances: natural and synthetic humic compounds

    International Nuclear Information System (INIS)

    Barre, N.; Mercier-Bion, F.; Reiller, P.

    2004-01-01

    X-ray photoelectron spectroscopy (XPS) results on the characterisation of the HUPA organic materials, i.e. natural humic substances ''GOHY 573'' (fulvic acid FA and humic acid HA) extracted from the Gorleben ground waters, and synthetic humic acids ''M1'' and ''M42'' obtained from a standard melanoidin preparation from FZ Rossendorf, are presented in this paper. XPS investigations were focused on the determination of the chemical environment of the major elements as carbon, nitrogen, oxygen and sulphur, and on the identification of trace metals trapped by these organic compounds. (orig.)

  10. 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.......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....

  11. Intramolecular dynamics due to electron transitions: from photoelectron spectroscopy to Femtochemistry

    International Nuclear Information System (INIS)

    Gadzuk, J.W.

    1999-01-01

    Select spectroscopic and chemical physics problems associated with atomic motion triggered by electronic transitions are the topics of this paper. The story starts with the initial stimulation provided by Dick Brundle's photoelectron spectroscopy studies of adsorbed molecules and continues to contemporary examples in photoelectron spectroscopy and Femtochemistry, all of which are theoretically modelled within a unified framework of time-dependent, driven oscillators and decaying states. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  12. Ultrafast soft X-ray photoelectron spectroscopy at liquid water microjets.

    Science.gov (United States)

    Faubel, M; Siefermann, K R; Liu, Y; Abel, B

    2012-01-17

    Since the pioneering work of Kai Siegbahn, electron spectroscopy for chemical analysis (ESCA) has been developed into an indispensable analytical technique for surface science. The value of this powerful method of photoelectron spectroscopy (PES, also termed photoemission spectroscopy) and Siegbahn's contributions were recognized in the 1981 Nobel Prize in Physics. The need for high vacuum, however, originally prohibited PES of volatile liquids, and only allowed for investigation of low-vapor-pressure molecules attached to a surface (or close to a surface) or liquid films of low volatility. Only with the invention of liquid beams of volatile liquids compatible with high-vacuum conditions was PES from liquid surfaces under vacuum made feasible. Because of the ubiquity of water interfaces in nature, the liquid water-vacuum interface became a most attractive research topic, particularly over the past 10 years. PES studies of these important aqueous interfaces remained significantly challenging because of the need to develop high-pressure PES methods. For decades, ESCA or PES (termed XPS, for X-ray photoelectron spectroscopy, in the case of soft X-ray photons) was restricted to conventional laboratory X-ray sources or beamlines in synchrotron facilities. This approach enabled frequency domain measurements, but with poor time resolution. Indirect access to time-resolved processes in the condensed phase was only achieved if line-widths could be analyzed or if processes could be related to a fast clock, that is, reference processes that are fast enough and are also well understood in the condensed phase. Just recently, the emergence of high harmonic light sources, providing short-wavelength radiation in ultrashort light pulses, added the dimension of time to the classical ESCA or XPS technique and opened the door to (soft) X-ray photoelectron spectroscopy with ultrahigh time resolution. The combination of high harmonic light sources (providing radiation with laserlike

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

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Youngmin; Chang, Hyunju; Lee, Jae Do [Korea Research Inst. of Chemical Technology, Taejon (Korea); Kim, Eunah; No, Kwangsoo [Korea Advanced Inst. of Science and Technology, Taejon (Korea)

    2002-09-01

    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. (author)

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

    International Nuclear Information System (INIS)

    Choi, Youngmin; Chang, Hyunju; Lee, Jae Do; Kim, Eunah; No, Kwangsoo

    2002-01-01

    We use a first-principles discrete variational (DV)-Xα 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. (author)

  15. Electronic structure and thermal decomposition of 5-aminotetrazole studied by UV photoelectron spectroscopy and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Rui M., E-mail: ruipinto@fct.unl.pt [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Dias, Antonio A.; Costa, Maria L. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2011-03-18

    Graphical abstract: Gas-phase UV photoelectron spectrum of the thermal decomposition of 5-aminotetrazole (5ATZ), obtained at 245 {sup o}C, and mechanism underlying the thermal dissociation of 2H-5ATZ. Research highlights: {yields} Electronic structure of 5ATZ studied by photoelectron spectroscopy. {yields} Gas-phase 5-ATZ exists mainly as the 2H-tautomer. {yields} Thermal decomposition of 5ATZ gives N{sub 2}, NH{sub 2}CN, HN{sub 3} and HCN, at 245 {sup o}C. {yields} HCN can be originated from a carbene intermediate. - Abstract: The electronic properties and thermal decomposition of 5-aminotetrazole (5ATZ) are investigated using UV photoelectron spectroscopy (UVPES) and theoretical calculations. Simulated spectra of both 1H- and 2H-5ATZ, based on electron propagator methods, are produced in order to study the relative gas-phase tautomer population. The thermal decomposition results are rationalized in terms of intrinsic reaction coordinate (IRC) calculations. 5ATZ yields a HOMO ionization energy of 9.44 {+-} 0.04 eV and the gas-phase 5ATZ assumes mainly the 2H-form. The thermal decomposition of 5ATZ leads to the formation of N{sub 2}, HN{sub 3} and NH{sub 2}CN as the primary products, and HCN from the decomposition of a intermediate CH{sub 3}N{sub 3} compound. The reaction barriers for the formation of HN{sub 3} and N{sub 2} from 2H-5ATZ are predicted to be {approx}228 and {approx}150 kJ/mol, at the G2(MP2) level, respectively. The formation of HCN and HNNH from the thermal decomposition of a CH{sub 3}N{sub 3} carbene intermediate is also investigated.

  16. High-order multiphoton ionization photoelectron spectroscopy of NO

    International Nuclear Information System (INIS)

    Carman, H.S. Jr.; Compton, R.N.

    1987-01-01

    Photoelectron energy 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 A 2 Σ + (v=O) level yielded a distribution of electron energies corresponding to all accessible vibrational levels (v + =O-6) of the nascent ion. Angular distributions of electrons corresponding to v + =O and v + =3 were significantly different. The 3 + 2 REMPI via the A 2 Σ + (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. 4 refs., 3 figs

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

    International Nuclear Information System (INIS)

    Wang, Lai-sheng; Niu, B.; Lee, Y.T.; Shirley, D.A.

    1989-07-01

    High resolution HeI (580 angstrom) photoelectron spectra of As 2 , As 4 , and P 4 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 2 E and 2 T 2 states of P 4 + and As 4 + . As a result of the Jahn-Teller effect, the 2 E state splits into two bands, and the 2 T 2 state splits into three bands, in combination with the spin-orbit effect. It was observed that the ν 2 normal vibrational mode was involved in the vibronic interaction of the 2 E state, while both the ν 2 and ν 3 modes were active in the 2 T 2 state. 26 refs., 5 figs., 3 tabs

  18. Imaging photoelectron photoion coincidence spectroscopy with velocity focusing electron optics

    International Nuclear Information System (INIS)

    Bodi, Andras; Johnson, Melanie; Gerber, Thomas; Gengeliczki, Zsolt; Sztaray, Balint; Baer, Tomas

    2009-01-01

    An imaging photoelectron photoion coincidence spectrometer at the vacuum ultraviolet (VUV) beamline of the Swiss Light Source is presented and a few initial measurements are reported. Monochromatic synchrotron VUV radiation ionizes the cooled or thermal gas-phase sample. Photoelectrons are velocity focused, with better than 1 meV resolution for threshold electrons, and also act as start signal for the ion time-of-flight analysis. The ions are accelerated in a relatively low, 40-80 V cm -1 field, which enables the direct measurement of rate constants in the 10 3 -10 7 s -1 range. All electron and ion events are recorded in a triggerless multiple-start/multiple-stop setup, which makes it possible to carry out coincidence experiments at >100 kHz event frequencies. As examples, the threshold photoelectron spectrum of the argon dimer and the breakdown diagrams for hydrogen atom loss in room temperature methane and the chlorine atom loss in cold chlorobenzene are shown and discussed.

  19. X-ray photoelectron spectroscopy characterization of the ω phase in water quenched Ti-5553 alloy

    International Nuclear Information System (INIS)

    Qin, Dongyang; Lu, Yafeng; Zhang, Kong; Liu, Qian; Zhou, Lian

    2012-01-01

    X-ray photoelectron spectroscopy was used to investigate the ω phase in water quenched Ti-5553 alloy with a nominal composition of Ti–5Al–5V–5Mo–3Cr (wt.%), and the ω and the β phase were distinguished by deconvoluting the XPS spectra of Al2p, V2p and Cr2p core level regions. In addition, it is found that the binding energy of core level electron of alloying elements shifts comparing with that of pure metals, and the fact was interpreted by charge redistribution model. X-ray photoelectron spectroscopy technique could be used to characterize the nano-scale ω phase in β alloys. - Highlights: ► We characterize the ω phase in Ti-5553 alloy by XPS. ► Binding energy of Al2p, V2p and Cr2p electron are different in the ω and β phase. ► Structural difference leads to the binding energy gap.

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

    International Nuclear Information System (INIS)

    Wang, Lai-Sheng

    2015-01-01

    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

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

    International Nuclear Information System (INIS)

    Southworth, S.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 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 H 2 and D 2 , and photoionization cross sections and photoelectron asymmetries of the valence orbitals of NO are reported

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

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, Don Wesley [Univ. of California, Berkeley, CA (United States)

    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 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 {le} 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.

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

    International Nuclear Information System (INIS)

    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 3 - . A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO 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 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 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 2 - - C 11 - ), and van der Waals clusters (X - (CO 2 ) n , X = I, Br, Cl; n ≤ 13 and I - (N 2 O) 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 - (CO 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

  4. Interpretation of intensities in electron-momentum and photoelectron spectroscopies

    International Nuclear Information System (INIS)

    McCarthy, I.E.

    1984-06-01

    Relative intensities for the photoelectron reaction on atoms and molecules are not related to structure calculations in the same way as those for the noncoplanar symmetric (e,2e) reaction. The photoelectron dipole matrix element is dependent on recoil momentum only through its unique relationship to the photon energy and is much harder to calculate for chemically-interesting momenta. Relative intensities for binary (e,2e) reactions are independent of total energy at high enough energies and strongly dependent on symmetry and recoil momentum, for which an intensity profile can be measured for values starting at zero. In comparing with structure calculations, binary (e,2e) intensities for low recoil momentum may be compared directly with pole strengths in calculations of the one-electron Green's function or corresponding configuration-interaction calculations. In the case of states within a single symmetry manifold the relative intensities will be independent of recoil momentum up to some maximum, usually at least a few atomic units

  5. Efficient and tunable high-order harmonic light sources for photoelectron spectroscopy at surfaces

    International Nuclear Information System (INIS)

    Chiang, Cheng-Tien; Huth, Michael; Trützschler, Andreas; Schumann, Frank O.; Kirschner, Jürgen; Widdra, Wolf

    2015-01-01

    Highlights: • An overview of photoelectron spectroscopy using high-order harmonics is presented. • Photoemission spectra on Ag(0 0 1) using megahertz harmonics are shown. • A gas recycling system for harmonic generation is presented. • Non-stop operation of megahertz harmonics up to 76 h is demonstrated. • The bandwidth and pulse duration of the harmonics are discussed. - Abstract: With the recent progress in high-order harmonic generation (HHG) using femtosecond lasers, laboratory photoelectron spectroscopy with an ultrafast, widely tunable vacuum-ultraviolet light source has become available. Despite the well-established technique of HHG-based photoemission experiments at kilohertz repetition rates, the efficiency of these setups can be intrinsically limited by the space-charge effects. Here we present recent developments of compact HHG light sources for photoelectron spectroscopy at high repetition rates up to megahertz, and examples for angle-resolved photoemission experiments are demonstrated.

  6. The adsorption of mercury on tungsten (100) studied by ultra-violet photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Egelhoff, W.F. Jr.; Perry, D.L.; Linnett, J.W.

    1976-01-01

    In recent years, photoelectron spectroscopy has been applied to the study of adsorption on several metal surfaces. A popular choice of substrate has been the 100 face of single crystal tungsten, since adsorption on this surface has been well-characterised by a wide variety of experimental techniques. In this letter a study of the adsorption of mercury on W(100) by ultra-violet photoelectron spectroscopy (UPS) is reported. These results, seen in the context of previous UPS studies of chemisorption, show a number of interesting features. (Auth.)

  7. Interface electronic properties of co-evaporated MAPbI3 on ZnO(0001): In situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy study

    International Nuclear Information System (INIS)

    Zhou, Xianzhong; Li, Xiaoli; Huang, Feng; Zhong, Dingyong; Liu, Yuan

    2016-01-01

    In this work, the interface electronic properties of ZnO(0001)/CH 3 NH 3 PbI 3 were investigated by both X-ray and ultraviolet photoelectron spectroscopy. The CH 3 NH 3 PbI 3 thin films were grown on single crystalline ZnO(0001) substrate in situ by co-evaporation of PbI 2 and CH 3 NH 3 I at room temperature with various thickness from 1.5 nm to 190 nm. It was found that the conduction band minimum of ZnO lies 0.3 eV below that of CH 3 NH 3 PbI 3 , while the valence band maximum of ZnO lies 2.1 eV below that of CH 3 NH 3 PbI 3 , implying that the electrons can be effectively transported from CH 3 NH 3 PbI 3 to ZnO, and the holes can be blocked in the same time. A PbI 2 rich layer was initially formed at the interface of ZnO(0001)/CH 3 NH 3 PbI 3 during the growth. As a consequence, an interface barrier was built up which may prevent the electron transport at the interface.

  8. Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

    Science.gov (United States)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2016-05-01

    The excited state relaxation dynamics of the solvated electron in H2O and D2O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H2O and 102 ± 8 fs in D2O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

  9. A photoelectron and TPEPICO investigation of the acetone radical cation.

    Science.gov (United States)

    Rennie, Emma E; Boulanger, Anne-Marie; Mayer, Paul M; Holland, David M P; Shaw, David A; Cooper, Louise; Shpinkova, Larisa G

    2006-07-20

    The valence shell photoelectron spectrum, threshold photoelectron spectrum, and threshold photoelectron photoion coincidence (TPEPICO) mass spectra of acetone have been measured using synchrotron radiation. New vibrational progressions have been observed and assigned in the X 2B2 state photoelectron bands of acetone-h6 and acetone-d6, and the influence of resonant autoionization on the threshold electron yield has been investigated. The dissociation thresholds for fragment ions up to 31 eV have been measured and compared to previous values. In addition, kinetic modeling of the threshold region for CH3* and CH4 loss leads to new values of 78 +/- 2 kJ mol(-1) and 75 +/- 2 kJ mol(-1), respectively, for the 0 K activation energies for these two processes. The result for the methyl loss channel is in reasonable agreement with, but slightly lower than, that of 83 +/- 1 kJ mol(-1) derived in a recent TPEPICO study by Fogleman et al. The modeling accounts for both low-energy dissociation channels at two different ion residence times in the mass spectrometer. Moreover, the effects of the ro-vibrational population distribution, the electron transmission efficiency, and the monochromator band-pass are included. The present activation energies yield a Delta(f)H298 for CH3CO+ of 655 +/- 3 kJ mol(-1), which is 4 kJ mol(-1) lower than that reported by Fogleman et al. The present Delta(f)H298 for CH3CO+ can be combined with the Delta(f)H298 for CH2CO (-47.5 +/- 1.6 kJ mol(-1)) and H+ (1530 kJ mol(-1)) to yield a 298 K proton affinity for ketene of 828 +/- 4 kJ mol(-1), in good agreement with the value (825 kJ mol(-1)) calculated at the G2 level of theory. The measured activation energy for CH4 loss leads to a Delta(f)H298 (CH2CO+*) of 873 +/- 3 kJ mol(-1).

  10. Electronic properties of semiconducting naphthalene bisimide derivatives—Ultraviolet photoelectron spectroscopy versus electrochemistry

    International Nuclear Information System (INIS)

    Rybakiewicz, Renata; Gawrys, Pawel; Tsikritzis, Dimitris; Emmanouil, Konstantinos; Kennou, Stella; Zagorska, Malgorzata; Pron, Adam

    2013-01-01

    Highlights: ► Electrochemical method for the determination of the ionization potential (IP) in organic semiconductors was validated. ► Excellent correlation was found between the IP values determined electrochemically and by UPS for naphthalene bisimides. ► Excellent correlation was found between the calculated (DFT) IP values and the experimentally determined ones. -- Abstract: Key parameters for organic semiconductors used as active layers in organic electronic devices are: solution processability, charge carriers mobility as well as the electron affinity (EA) and the ionization potential (IP) which determine their redox properties and by consequence their air stability. The purpose of the present work was to investigate the influence of different substituents at imide nitrogen atom (alkylaryl, thienylene and triarylamine) and at naphthalene core (triarylamine) on the IP and EA values in recently synthesized naphthalene bisimide derivatives, tested as promising semiconductors for flexible n-channel or ambipolar organic field effect transistors (OFETs). The ionization potentials were determined by Ultra-violet Photoelectron Spectroscopy (UPS) for thin semiconductor films evaporated in ultra-high vacuum. The values obtained by photoelectron spectroscopy were compared with the ones determined from electrochemical investigations of the semiconductors dissolved in an electrolyte solution. Using cyclic voltammetry the IPs was estimated from the onset of the first oxidation peak whereas EAs from the onset of the first reduction peak. In cases where it was not possible to record the oxidation wave in the electrolyte electrochemical window, the IPs values were calculated by subtracting the energy of the spectroscopically (UV–vis–NIR) determined band gap from the EA values and changing the sign. A good correlation between the spectroscopic (UPS) and electrochemical data was found

  11. Multiphoton ionization photoelectron spectroscopy of xenon: Experiment and theory

    International Nuclear Information System (INIS)

    Bajic, S.J.; Compton, R.N.; Tang, X.; L'Huiller, A.; Lambropoulos, P.

    1988-11-01

    Photoelectron energy and angular distributions for resonantly enhanced multiphoton ionization (REMPI) of xenon via the three-photon-allowed 7s[3/2] 1 0 and 5d[3/2] 1 0 states have been studied both experimentally and theoretically. The electron kinetic energy spectra give the probability of leaving Xe + in either the 2 P/sub 1/2/ or 2 P/sub 3/2/ core. The measured branching ratio for leaving each ionic core is used to test the theoretical description of the REMPI process. Measurements of both the angular distributions and the [3+1] REMPI via the 5d state are adequately reproduced by multichannel quantum defect theory. However, measurements of angular distributions for the electrons resulting from [3+1] via the 7s[3/2] 1 0 state into Xe + 2 P/sub 3/2/ (core preserving) or Xe + 2 P/sub 1/2/ (core changing) are in striking disagreement with theory. 1 ref., 2 figs

  12. X-ray-excited Auger and photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Weightman, P.

    1982-01-01

    This article reviews developments in the understanding of x-ray-excited Auger and photoelectron spectra in the light of theoretical developments in atomic, molecular and solid-state physics. After reviewing progress in XPS and AES separately emphasis is placed on the inter-relationship between the two fields: Auger rates, for example, are the dominant contribution to core-level XPS linewidths and by combining XPS and AES it is possible to deduce information about Coster-Kronig processes which are difficult to study directly. An account is given of how the combination of measurements of environmentally dependent shifts in XPS and AES energies allows one to isolate initial- and final-state contributions which can then be related to the results of other experimental techniques. There is a brief discussion of many-electron effects and a discussion of how the combination of XPS and AES spectra involving valence levels enables the effects of hole-state localisation to be studied. (author)

  13. Photoelectron spectroscopy under ambient pressure and temperature conditions

    International Nuclear Information System (INIS)

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

    2009-01-01

    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 of 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. 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...

  15. The protonation state of small carboxylic acids at the water surface from photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Ottosson, N.; Wernersson, Erik; Söderström, J.; Pokapanich, W.; Kaufmann, S.; Svensson, S.; Persson, I.; Öhrwall, G.; Björneholm, O.

    2011-01-01

    Roč. 13, č. 26 (2011), s. 12261-12267 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z40550506 Keywords : water surface * carboxylic acids * photoelectron spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.573, year: 2011

  16. 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 Richmond [Univ. of California, Berkeley, CA (United States)

    2002-01-01

    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 TiCl4 and a Al(Et)3 co-catalyst on a microporous Mg-ethoxide support that is prepared from MgCl2 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 TiCl4 in the gas phase. XPS results indicate that the Mg is completely oxidized to MgCl2 by TiCl4 resulting in a thin film of MgCl2/TiClx, where x = 2, 3, and 4. To prepare an active catalyst, the thin film of MgCl2/TiClx on Au foil is enclosed in a high pressure cell contained within the UHV chamber and exposed to ~1 Torr of Al(Et)3.

  17. The Utilization of Spin Polarized Photoelectron Spectroscopy as a Probe of Electron Correlation with an Ultimate Goal of Pu

    International Nuclear Information System (INIS)

    Tobin, James; Yu, Sung; Chung, Brandon; Morton, Simon; Komesu, Takashi; Waddill, George

    2008-01-01

    We are developing the technique of spin-polarized photoelectron spectroscopy as a probe of electron correlation with the ultimate goal of resolving the Pu electronic structure controversy. Over the last several years, we have demonstrated the utility of spin polarized photoelectron spectroscopy for determining the fine details of the electronic structure in complex systems such as those shown in the paper.

  18. DEVELOPMENT OF NEXT-GENERATION DETECTORS AND INSTRUMENTATION FOR PHOTOELECTRON SPECTROSCOPY, DIFFRACTION AND HOLOGRAPHY

    International Nuclear Information System (INIS)

    Charles S. Fadley, Principal Investigator

    2005-01-01

    We have developed a new multichannel detector for use in photoelectron spectroscopy (as well as other types of high-count-rate spectroscopy) that will operate at rates of up to 1 GHz. Such detectors are crucial to the full utilization of the high-brightness radiation generated by third-generation synchrotron radiation sources. In addition, new software and hardware has been developed to permit rapidly and accurately scanning photoelectron spectra that will be accumulated in as little as a 200 micros. A versatile next-generation sample goniometer permitting equally rapid scanning of specimen angles or photon energies for angle-resolved photoemission studies, photoelectron diffraction, and photoelectron holography measurements, and cooling to below 10K has also been designed and constructed. These capabilities have been incorporated into a unique photoelectron spectrometer/diffractometer at the Advanced Light Source of the Lawrence Berkeley National Laboratory; this experimental system includes ultrahigh energy resolution, in situ rotation, variable polarization, and optional spin detection. This overall system is now being used in studies of a variety of problems including magnetic metals and oxides; metal/metal, metal/metal oxide, and metal-oxide/metal-oxide multilayers; and systems exhibiting giant and colossal magnetoresistance

  19. A new endstation at the Swiss Light Source for ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy measurements of liquid solutions

    International Nuclear Information System (INIS)

    Brown, Matthew A.; Redondo, Amaia Beloqui; Duyckaerts, Nicolas; Mächler, Jean-Pierre; Jordan, Inga; Wörner, Hans Jakob; Lee, Ming-Tao; Ammann, Markus; Nolting, Frithjof; Kleibert, Armin; Huthwelker, Thomas; Birrer, Mario; Honegger, Juri; Wetter, Reto; Bokhoven, Jeroen A. van

    2013-01-01

    A new liquid microjet endstation designed for ultraviolet (UPS) and X-ray (XPS) photoelectron, and partial electron yield X-ray absorption (XAS) spectroscopies at the Swiss Light Source is presented. The new endstation, which is based on a Scienta HiPP-2 R4000 electron spectrometer, is the first liquid microjet endstation capable of operating in vacuum and in ambient pressures up to the equilibrium vapor pressure of liquid water at room temperature. In addition, the Scienta HiPP-2 R4000 energy analyzer of this new endstation allows for XPS measurements up to 7000 eV electron kinetic energy that will enable electronic structure measurements of bulk solutions and buried interfaces from liquid microjet samples. The endstation is designed to operate at the soft X-ray SIM beamline and at the tender X-ray Phoenix beamline. The endstation can also be operated using a Scienta 5 K ultraviolet helium lamp for dedicated UPS measurements at the vapor-liquid interface using either He I or He II α lines. The design concept, first results from UPS, soft X-ray XPS, and partial electron yield XAS measurements, and an outlook to the potential of this endstation are presented

  20. A new endstation at the Swiss Light Source for ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy measurements of liquid solutions.

    Science.gov (United States)

    Brown, Matthew A; Redondo, Amaia Beloqui; Jordan, Inga; Duyckaerts, Nicolas; Lee, Ming-Tao; Ammann, Markus; Nolting, Frithjof; Kleibert, Armin; Huthwelker, Thomas; Müächler, Jean-Pierre; Birrer, Mario; Honegger, Juri; Wetter, Reto; Wörner, Hans Jakob; van Bokhoven, Jeroen A

    2013-07-01

    A new liquid microjet endstation designed for ultraviolet (UPS) and X-ray (XPS) photoelectron, and partial electron yield X-ray absorption (XAS) spectroscopies at the Swiss Light Source is presented. The new endstation, which is based on a Scienta HiPP-2 R4000 electron spectrometer, is the first liquid microjet endstation capable of operating in vacuum and in ambient pressures up to the equilibrium vapor pressure of liquid water at room temperature. In addition, the Scienta HiPP-2 R4000 energy analyzer of this new endstation allows for XPS measurements up to 7000 eV electron kinetic energy that will enable electronic structure measurements of bulk solutions and buried interfaces from liquid microjet samples. The endstation is designed to operate at the soft X-ray SIM beamline and at the tender X-ray Phoenix beamline. The endstation can also be operated using a Scienta 5 K ultraviolet helium lamp for dedicated UPS measurements at the vapor-liquid interface using either He I or He II α lines. The design concept, first results from UPS, soft X-ray XPS, and partial electron yield XAS measurements, and an outlook to the potential of this endstation are presented.

  1. A new endstation at the Swiss Light Source for ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy measurements of liquid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Matthew A.; Redondo, Amaia Beloqui; Duyckaerts, Nicolas; Mächler, Jean-Pierre [Institute for Chemical and Bioengineering, ETH Zürich, CH-8093 Zürich (Switzerland); Jordan, Inga; Wörner, Hans Jakob [Laboratory of Physical Chemistry, ETH Zürich, CH-8093 Zürich (Switzerland); Lee, Ming-Tao; Ammann, Markus; Nolting, Frithjof; Kleibert, Armin; Huthwelker, Thomas; Birrer, Mario; Honegger, Juri; Wetter, Reto [Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Bokhoven, Jeroen A. van [Institute for Chemical and Bioengineering, ETH Zürich, CH-8093 Zürich (Switzerland); Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland)

    2013-07-15

    A new liquid microjet endstation designed for ultraviolet (UPS) and X-ray (XPS) photoelectron, and partial electron yield X-ray absorption (XAS) spectroscopies at the Swiss Light Source is presented. The new endstation, which is based on a Scienta HiPP-2 R4000 electron spectrometer, is the first liquid microjet endstation capable of operating in vacuum and in ambient pressures up to the equilibrium vapor pressure of liquid water at room temperature. In addition, the Scienta HiPP-2 R4000 energy analyzer of this new endstation allows for XPS measurements up to 7000 eV electron kinetic energy that will enable electronic structure measurements of bulk solutions and buried interfaces from liquid microjet samples. The endstation is designed to operate at the soft X-ray SIM beamline and at the tender X-ray Phoenix beamline. The endstation can also be operated using a Scienta 5 K ultraviolet helium lamp for dedicated UPS measurements at the vapor-liquid interface using either He I or He II α lines. The design concept, first results from UPS, soft X-ray XPS, and partial electron yield XAS measurements, and an outlook to the potential of this endstation are presented.

  2. X-ray photoelectron spectroscopy study of β-BaB2O4 optical surface

    International Nuclear Information System (INIS)

    Atuchin, V.V.; Kesler, V.G.; Kokh, A.E.; Pokrovsky, L.D.

    2004-01-01

    An X-ray photoelectron spectroscopy (XPS) study has been performed for (0 0 1) BaB 2 O 4 . The crystal surface has been polished mechanically and cleaned by chemical etching. In XPS observation, depth profiling has been produced by sputtering with Ar + 3 keV ions. Photoelectron binding energies of original element core levels and valence band have been measured as a function of sputtering time. The persistence of binding energies of barium and boron core levels and valence band structure has been found. For O 1 s core level the formation of new spectral components with lower binding energies has been revealed

  3. X-ray photoelectron spectroscopy study of the metal/cermet interface

    International Nuclear Information System (INIS)

    Lu Hua; Shen Dianhong; Xue Qikun

    2001-01-01

    Interfacial reactions between aluminium and polycrystalline cermet TiC 0.6 were investigated using x-ray photo-electron spectroscopy, Auger electron spectroscopy and x-ray diffraction. It was found that titanium exists in two chemical states. The carbide and oxide of titanium can be detected simultaneously, and the atomic ratio of Ti:C:O is 5:3:2. This suggests that TiC 0.6 is a Ti-oxycarbide or oxygenated Tic composite: Ti 5 C 3 O 2 (TiO 2 + 4TiC 0.75 ). When Al is deposited in vacuum on the Ti-oxycarbide surface, the active Al atoms react chemically only with TiO 2 at room temperature, but not with TiC 0.75 in Ti-oxycarbide. The reaction products are Al 2 O 3 and the intermetallic compound Al 3 Ti. Annealing the Al/TiC 0.6 interface at 750 degree C, Al reacts also with TiC 0.75 to form a brittle Al 4 C 3 phase

  4. Lab-based ambient pressure X-ray photoelectron spectroscopy from past to present

    Science.gov (United States)

    Arble, Chris; Jia, Meng; Newberg, John T.

    2018-05-01

    Chemical interactions which occur at a heterogeneous interface between a gas and substrate are critical in many technological and natural processes. Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) is a powerful spectroscopy tool that is inherently surface sensitive, elemental and chemical specific, with the ability to probe sample surfaces in the presence of a gas phase. In this review, we discuss the evolution of lab-based AP-XPS instruments, from the first development by Siegbahn and coworkers up through modern day systems. A comprehensive overview is given of heterogeneous experiments investigated to date via lab-based AP-XPS along with the different instrumental metrics that affect the quality of sample probing. We conclude with a discussion of future directions for lab-based AP-XPS, highlighting the efficacy for this in-demand instrument to continue to expand in its ability to significantly advance our understanding of surface chemical processes under in situ conditions in a technologically multidisciplinary setting.

  5. The Art of Photoelectron Spectroscopy, from Micro to Nano

    Science.gov (United States)

    Rotenberg, Eli

    Angle-resolved photoemission spectroscopy (ARPES) was developed for the determination of the electronic bandstructure of solids. In the last 20 years, ARPES has become nearly unlimited with respect to instrumental resolution, and therefore able to illuminate more subtle electronic aspects, such as ground-state symmetry breaking and the many-body interactions (MBIs) that characterize ground states such as superconductivity. These MBIs involve exchange of momentum among electrons or with excitations such as phonons, and can therefore couple to nanoscale structures. By controlling the structure at the nanoscale, we can therefore hope to control or enhance the ground state properties of materials through nanoscale engineering. This dream has motivated the development of nanoscale ARPES (nanoARPES) machines that are now coming online worldwide. After a brief overview, I will show the latest results from the new nanoARPES endstation at the MAESTRO facility (Microscopic and Electronic Structure Observatory), a new user beamline commissioned this year at the Advanced Light Source (ALS). We achieved routine operation at spatial resolution around 120 nm, and expect improvement down to 50 nm or better. Examples will include graphene and 2D-metal-chalcogenide heterostructures. I will also discuss the prospects for dramatic improvements expected as new diffraction-limited light sources such as the ALS-U project are realized. Work performed at the Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

  6. Thorium effect on the oxidation of uranium: Photoelectron spectroscopy (XPS/UPS) and cyclic voltammetry (CV) investigation on (U{sub 1−x}Th{sub x})O{sub 2} (x = 0 to 1) thin films

    Energy Technology Data Exchange (ETDEWEB)

    Cakir, P., E-mail: pelincakir@outlook.com [European Commission, Joint Research Centre, P.O. Box 2340, D-76125, Karlsruhe (Germany); Department of Radiation Science and Technology, Delft University of Technology, Mekelweg 15, 2629, JB Delft (Netherlands); Eloirdi, R.; Huber, F. [European Commission, Joint Research Centre, P.O. Box 2340, D-76125, Karlsruhe (Germany); Konings, R.J.M. [European Commission, Joint Research Centre, P.O. Box 2340, D-76125, Karlsruhe (Germany); Department of Radiation Science and Technology, Delft University of Technology, Mekelweg 15, 2629, JB Delft (Netherlands); Gouder, T. [European Commission, Joint Research Centre, P.O. Box 2340, D-76125, Karlsruhe (Germany)

    2017-01-30

    Highlights: • XRD and XPS data of U{sub x}Th{sub 1-x}O{sub 2} films are in agreement with data obtained on bulk. • Oxygen affinity of thorium is much stronger than uranium. • Oxidation of uranium decreases as a function of thorium in the matrix. • XPS made pre and post CV shows thorium enrichment indicating a protective layer. • Higher initial uranium content is directly proportional to higher oxidation states. - Abstract: Thin films of U{sub 1−x}Th{sub x}O{sub 2} (x = 0 to 1) have been deposited via reactive DC sputter technique and characterized by X-ray/Ultra-violet Photoelectron Spectroscopy (XPS/UPS), X-ray Powder Diffractometer (XRD) and Cyclic Voltammetry (CV) in order to understand the effect of Thorium on the oxidation mechanism. During the deposition, the competition between uranium and thorium for oxidation showed that thorium has a much higher affinity for oxygen. Deposition conditions, time and temperature were also the subject of this study, to look at the homogeneity and the stability of the films. While core level and valence band spectra were not altered by the time of deposition, temperature was affecting the oxidation state of uranium and the valence band due to the mobility increase of oxygen through the film. X-ray diffraction patterns, core level spectra obtained for U{sub 1−x}Th{sub x}O{sub 2} versus the composition showed that lattice parameters follow the Vegard's law and together with the binding energies of U-4f and Th-4f are in good agreement with literature data obtained on bulk compounds. To study the effect of thorium on the oxidation of U{sub 1−x}Th{sub x}O{sub 2} films, we used CV experiments at neutral pH of a NaCl solution in contact with air. The results indicated that thorium has an effect on the uranium oxidation as demonstrated by the decrease of the current of the oxidation peak of uranium. XPS measurements made before and after the CV, showed a relative enrichment of thorium at the extent of uranium at

  7. Initial surface film on magnesium metal: A characterization by X-ray photoelectron spectroscopy (XPS) and photocurrent spectroscopy (PCS)

    International Nuclear Information System (INIS)

    Santamaria, M.; Di Quarto, F.; Zanna, S.; Marcus, P.

    2007-01-01

    A detailed investigation of the initial film grown on mechanically polished Mg electrodes has been carried out by ex situ X-ray Photoelectron Spectroscopy (XPS) and in situ Photocurrent Spectroscopy (PCS), allowing to reach a detailed picture of the passive layer structure. The XPS data show that the films formed soon after mechanical treatment and immersion in aqueous electrolyte have a bilayer structure, consisting of an ultra-thin MgO inner layer (∼2.5 nm) and a Mg(OH) 2 external layer. The thickness of the Mg(OH) 2 layer is a function of immersion time and solution temperature. After mechanical treatment and immersion in aqueous solution at room temperature, the MgO/Mg(OH) 2 layer in some area of electrodes is so thin to allow an electron photoemission process from the Mg Fermi level to the electrolyte conduction band. Only internal photoemission processes are evidenced for Mg electrodes aged in NaOH at 80 deg. C, due the formation of a thicker Mg(OH) 2 layer. From anodic photocurrent spectra an optical band gap of ∼4.25 eV has been estimated for Mg(OH) 2 , lower with respect to the optical gap of the corresponding anhydrous counterpart

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

    Energy Technology Data Exchange (ETDEWEB)

    Niedermaier, Inga; Kolbeck, Claudia; Steinrück, Hans-Peter; Maier, Florian, E-mail: florian.maier@fau.de [Lehrstuhl für Physikalische Chemie II, FAU Universität Erlangen-Nürnberg, Egerlandstraße 3, 91058 Erlangen (Germany)

    2016-04-15

    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.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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.

  10. Study of electron beam effects on surfaces using x-ray photoelectron spectroscopy (XPS) and secondary ion mass spectroscopy (SIMS)

    International Nuclear Information System (INIS)

    Gettings, M.; Coad, J.P.

    1976-02-01

    Discrepancies in the surface analyses of oxidised or heavily contaminated materials have been observed between X-ray Photoelectron Spectroscopy (XPS) and techniques using electron beams (primarily Auger Electron Spectroscopy (AES)). These discrepancies can be ascribed to the influence of the primary electron beam and to illustrate the various types of electron effects different materials were analysed using XPS and Secondary Ion Mass Spectroscopy (SIMS) before and after large area electron bombardment. The materials used included chrome and stainless steels, nickel, platinum, glass and brass. (author)

  11. X-ray photoelectron spectroscopy of the uranium/oxygen system

    International Nuclear Information System (INIS)

    Allen, G.C.; Holmes, N.R.

    1986-10-01

    Other authors have presented evidence to show that the oxidised surface layer which forms on UO 2 at 25 0 C is amorphous UO 3 . In the present study X-ray photoelectron spectroscopy, infra-red spectroscopy and X-ray diffraction have been used to characterise the higher oxides α-UO 3 , β-UO 3 , γ-UO 3 and δ-UO 3 . While the infra-red and X-ray diffraction results may be used to characterise each oxide the X-ray photoelectron spectra for each phase are very similar. During reduction of the oxide surface in the spectrometer changes in the spectra were observed which were shown to be associated with particular oxidation states of the metal rather than different uranium atom coordination sites within the oxide. A close structural relationship is demonstrated between these oxides and the product at the surface of air-oxidised UO 2 fuel. (author)

  12. High-resolution photoelectron spectroscopy analysis of sulfidation of brass at the rubber/brass interface

    International Nuclear Information System (INIS)

    Ozawa, Kenichi; Kakubo, Takashi; Shimizu, Katsunori; Amino, Naoya; Mase, Kazuhiko; Komatsu, Takayuki

    2013-01-01

    Highlights: ► Chemical composition at the rubber/brass interface is investigated. ► The 2-min vulcanization reaction is enough to convert the interface composition. ► Five S-containing species are identified at the interface. ► Strong rubber–brass adhesion is related to the Cu 2 S/CuS ratio. ► Degradation of adhesion proceeds along with desulfidation of the interface. - Abstract: High resolution photoelectron spectroscopy is utilized to investigate the chemical composition at the rubber/brass interface to elucidate the origin of strong adhesion as well as the degradation between rubber and brass. Special attention has been given to copper sulfides formed at the interface during the vulcanization reaction at 170 °C. At least five sulfur-containing species are identified in the adhesive interlayer including crystalline CuS and amorphous Cu x S (x ≃ 2). These copper sulfide species are not uniformly distributed within the layer, but there exits the concentration gradation; the concentration of Cu x S is high in the region on the rubber side and is diminished in the deeper region, while vice versa for that of CuS. Degradation of the interface adhesive strength by prolonged vulcanization arises from the decrease in the Cu x S/CuS ratio accompanying desulfurization of the adhesive layer.

  13. Measurement of barrier height of Pd on diamond (100) surface by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li, F.N. [Institute of Wide Band Gap Semiconductors, Xi' an Jiaotong University, Xi' an 710049 (China); Nation Key Laboratory of ASIC, HSRI, Shijiazhuang 050051 (China); Liu, J.W. [International Center for Young Scientists, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 3050044 (Japan); Zhang, J.W.; Wang, X.L.; Wang, W.; Liu, Z.C. [Institute of Wide Band Gap Semiconductors, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, H.X., E-mail: hxwangcn@mail.xjtu.edu.cn [Institute of Wide Band Gap Semiconductors, Xi' an Jiaotong University, Xi' an 710049 (China)

    2016-05-01

    Highlights: • Metal-semiconductor contacts of Pd/hydrogen-terminated diamond and Pd/oxygen-terminated diamond have been investigated by XPS measurements. • The barrier height for Pd/hydrogen-terminated diamond (ohmic contact) has been measured to be −0.27 eV. • The barrier height for Pd/oxygen-terminated diamond (Schottky contact) has been measured to be 1.73 eV. - Abstract: Barrier height (Φ{sub BH}) values for Pd/hydrogen-terminated diamond (H-diamond) and Pd/oxygen-terminated diamond (O-diamond) have been investigated by X-ray photoelectron spectroscopy technique. H-diamond and O-diamond have been formed on the same diamond (100) layer grown by microwave plasma-enhanced chemical vapor deposition,on which Pd layers have been evaporated. The Φ{sub BH} values for Pd/H-diamond and Pd/O-diamond are determined to be −0.27 eV and 1.73 eV, respectively. It indicates that Pd is a suitable metal for ohmic and Schottky contacts on H-diamond and O-diamond, respectively. The experimental Φ{sub BH} values are in good agreement with the theoretical calculation results.

  14. High-resolution photoelectron spectroscopy analysis of sulfidation of brass at the rubber/brass interface

    Energy Technology Data Exchange (ETDEWEB)

    Ozawa, Kenichi, E-mail: ozawa.k.ab@m.titech.ac.jp [Department of Chemistry and Materials Science, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo 152-8551 (Japan); Kakubo, Takashi; Shimizu, Katsunori; Amino, Naoya [Yokohama Rubber Co., Ltd., Oiwake, Hiratsuka 254-8601 (Japan); Mase, Kazuhiko [Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba 305-0801 (Japan); Komatsu, Takayuki [Department of Chemistry and Materials Science, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo 152-8551 (Japan)

    2013-01-01

    Highlights: Black-Right-Pointing-Pointer Chemical composition at the rubber/brass interface is investigated. Black-Right-Pointing-Pointer The 2-min vulcanization reaction is enough to convert the interface composition. Black-Right-Pointing-Pointer Five S-containing species are identified at the interface. Black-Right-Pointing-Pointer Strong rubber-brass adhesion is related to the Cu{sub 2}S/CuS ratio. Black-Right-Pointing-Pointer Degradation of adhesion proceeds along with desulfidation of the interface. - Abstract: High resolution photoelectron spectroscopy is utilized to investigate the chemical composition at the rubber/brass interface to elucidate the origin of strong adhesion as well as the degradation between rubber and brass. Special attention has been given to copper sulfides formed at the interface during the vulcanization reaction at 170 Degree-Sign C. At least five sulfur-containing species are identified in the adhesive interlayer including crystalline CuS and amorphous Cu{sub x}S (x Asymptotically-Equal-To 2). These copper sulfide species are not uniformly distributed within the layer, but there exits the concentration gradation; the concentration of Cu{sub x}S is high in the region on the rubber side and is diminished in the deeper region, while vice versa for that of CuS. Degradation of the interface adhesive strength by prolonged vulcanization arises from the decrease in the Cu{sub x}S/CuS ratio accompanying desulfurization of the adhesive layer.

  15. Surface characterization of colossal magnetoresistive manganites La1-xSr xMnO3 using photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Mannella, N.; Rosenhahn, A.; Nambu, A.; Sell, B.C.; Mun, B.S.; Yang, S.-H.; Marchesini, S.; Watanabe, M.; Ibrahim, K.; Ritchey, S.B.; Tomioka, Y.; Fadley, C.S.

    2006-01-01

    We have studied the temperature and time dependence of Surface chemical composition and atomic structure of in situ fractured colossal magnetoresistive perovskites La 1-x Sr x MnO (x = 0.3, 0.4) using core-level photoelectron spectroscopy and diffraction, simultaneous with observing marked changes in both core and valence electronic structure on going above the Curie temperature [N. Mannella et al., Phys. Rev. Lett. 92 (2004) 166401]. Stoichiometric analyses via core-level intensity ratios show that the near-surface composition is very nearly the same as that of the nominal (bulk) stoichiometry and further show that, during duration of our experiments, the degree of surface stoichiometry alteration or contamination has been minimal. The effects of photoelectron diffraction on such analyses are also explored. We comment on the degree to which near-surface composition or atomic-structure alterations might influence spectroscopic investigations of these manganites, or other strongly correlated materials

  16. Probing hot-electron effects in wide area plasmonic surfaces using X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ayas, Sencer; Cupallari, Andi; Dana, Aykutlu, E-mail: aykutlu@unam.bilkent.edu.tr [UNAM Institute of Materials Science and Nanotechnology, Bilkent University, 06800 Ankara (Turkey)

    2014-12-01

    Plasmon enhanced hot carrier formation in metallic nanostructures increasingly attracts attention due to potential applications in photodetection, photocatalysis, and solar energy conversion. Here, hot-electron effects in nanoscale metal-insulator-metal (MIM) structures are investigated using a non-contact X-ray photoelectron spectroscopy based technique using continuous wave X-ray and laser excitations. The effects are observed through shifts of the binding energy of the top metal layer upon excitation with lasers of 445, 532, and 650 nm wavelength. The shifts are polarization dependent for plasmonic MIM grating structures fabricated by electron beam lithography. Wide area plasmonic MIM surfaces fabricated using a lithography free route by the dewetting of evaporated Ag on HfO{sub 2} exhibit polarization independent optical absorption and surface photovoltage. Using a simple model and making several assumptions about the magnitude of the photoemission current, the responsivity and external quantum efficiency of wide area plasmonic MIM surfaces are estimated as 500 nA/W and 11 × 10{sup −6} for 445 nm illumination.

  17. Wettability of Oil-Producing Reservoir Rocks as Determined from X-ray Photoelectron Spectroscopy

    Science.gov (United States)

    Toledo; Araujo; Leon

    1996-11-10

    Wettability has a dominant effect in oil recovery by waterflooding and in many other processes of industrial and environmental interest. Recently, the suggestion has been made that surface science analytical techniques (SSAT) could be used to rapidly determine the wettability of reservoir materials. Here, we bring the capability of X-ray photoelectron spectroscopy (XPS) to bear on the wettability evaluation of producing reservoir rocks. For a suite of freshly exposed fracture surfaces of rocks we investigate the relationship between wettability and surface composition as determined from XPS. The classical wettability index as measured with the Amott-Harvey test is used here as an indicator of the wettability of natural sandstones. The XPS spectra of oil-wet surfaces of rocks reveal the existence of organic carbon and also of an "organic" silicon species, of the kind Si-CH relevant to silanes, having a well-defined binding energy which differs from that of the Si-O species of mineral grains. We provide quantifiable evidence that chemisorbed organic material on the pore surfaces defines the oil-wetting character of various reservoir sandstones studied here which on a mineralogic basis are expected to be water-wet. This view is supported by a strong correlation between C content of pore surfaces and rock wettability. The results also suggest a correlation between organic silicon content on the pore surfaces and rock hydrophobicity.

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

    Energy Technology Data Exchange (ETDEWEB)

    Velasco-Vélez, J. J., E-mail: velasco@fhi-berlin.mpg.de, E-mail: mh@fhi-berlin.mpg.de; Schlögl, R. [Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr 45470 (Germany); Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin 14195 (Germany); Pfeifer, V.; Algara-Siller, G.; Stotz, E.; Teschner, D.; Kube, P.; Knop-Gericke, A. [Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin 14195 (Germany); Hävecker, M., E-mail: velasco@fhi-berlin.mpg.de, E-mail: mh@fhi-berlin.mpg.de; Skorupska, K. [Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr 45470 (Germany); Wang, R.; Braeuninger-Weimer, P.; Hofmann, S. [Engineering Department, University of Cambridge, Cambridge CB3 0FA (United Kingdom); Centeno, A.; Zurutuza, A. [Graphenea, San Sebastian 20018 (Spain)

    2016-05-15

    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).

  19. 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.

  20. Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Elkins, Madeline H.; Williams, Holly L. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Neumark, Daniel M., E-mail: dneumark@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2016-05-14

    The excited state relaxation dynamics of the solvated electron in H{sub 2}O and D{sub 2}O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H{sub 2}O and 102 ± 8 fs in D{sub 2}O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

  1. Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

    Science.gov (United States)

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

    2014-05-22

    The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using theoretical calculations and core and valence photoelectron spectroscopy. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yield 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 shows superficial similarities, further 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 (HOMO) of CS shows leading carbonyl π character with contributions from other heavy (non-H) atoms in the molecule, while the HOMO of 2-oxazolidinone (OX2) has leading nitrogen, carbon, and oxygen pπ characters. The present study further theoretically predicts bond resonance effects of the compounds, evidence for which is provided by our experimental measurements and published crystallographic data.

  2. Time-resolved X-ray photoelectron spectroscopy techniques for the study of interfacial charge dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Neppl, Stefan, E-mail: sneppl@lbl.gov; Gessner, Oliver

    2015-04-15

    Highlights: • Ultrafast interfacial charge transfer is probed with atomic site specificity. • Femtosecond X-ray photoelectron spectroscopy using a free electron laser. • Efficient and flexible picosecond X-ray photoelectron pump–probe scheme using synchrotron radiation. - Abstract: X-ray photoelectron spectroscopy (XPS) is one of the most powerful techniques to quantitatively analyze the chemical composition and electronic structure of surfaces and interfaces in a non-destructive fashion. Extending this technique into the time domain has the exciting potential to shed new light on electronic and chemical dynamics at surfaces by revealing transient charge configurations with element- and site-specificity. Here, we describe prospects and challenges that are associated with the implementation of picosecond and femtosecond time-resolved X-ray photoelectron spectroscopy at third-generation synchrotrons and X-ray free-electron lasers, respectively. In particular, we discuss a series of laser-pump/X-ray-probe photoemission experiments performed on semiconductor surfaces, molecule-semiconductor interfaces, and films of semiconductor nanoparticles that demonstrate the high sensitivity of time-resolved XPS to light-induced charge carrier generation, diffusion and recombination within the space charge layers of these materials. Employing the showcase example of photo-induced electronic dynamics in a dye-sensitized semiconductor system, we highlight the unique possibility to probe heterogeneous charge transfer dynamics from both sides of an interface, i.e., from the perspective of the molecular electron donor and the semiconductor acceptor, simultaneously. Such capabilities will be crucial to improve our microscopic understanding of interfacial charge redistribution and associated chemical dynamics, which are at the heart of emerging energy conversion, solar fuel generation, and energy storage technologies.

  3. Tribocharging in electrostatic beneficiation of coal: Effects of surface composition on work function as measured by x-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy in air

    International Nuclear Information System (INIS)

    Trigwell, S.; Mazumder, M.K.; Pellissier, R.

    2001-01-01

    The cleaning of coal by electrostatic beneficiation is based on tribocharging characteristics of pulverized coal particles with diameter smaller than 120 μm. The tribocharging process should be such that the organic coal particles must charge with a polarity opposite to that of the sulfur and the mineral containing particles so that coal can be separated from minerals by using a charge separator. However, the charge distribution of electrostatically separated coal particles indicates that coal exhibits bipolar charging. A significant fraction of the coal particles charges negatively which appears to be in conflict with expectations in that the organic coal particles should charge positively, and the mineral particles, present as impurities such as pyrite, charge negatively when tribocharged against copper. The relative work functions of the particles (coal and mineral) and that of the metal surface (copper or stainless steel) used for tribocharging predict these expected results. However, ultraviolet photoelectron spectroscopy (UPS) measurements in air on specimens of three different coal species, showed the work function to be approximately 5.4 eV, which is higher than a reported measured work function of 3.93 eV. Studies by UPS and x-ray photoelectron spectroscopy on copper, stainless steel, aluminum, and other commonly used tribocharging materials such as nylon and polytetrafluorethylene, as well as pure pyrite, showed that the work function varied considerably as a function of surface composition. Therefore, the reason for the bipolar charging of the coal particles may be the too small differences in work functions between coal powder and copper used as the charging material. The choice of a material for impaction triboelectric charging for coal or mineral separation should therefore depend upon the actual work function as modified by the ambient conditions such as moisture content and the oxidation of the surface

  4. Growth and trends in Auger-electron spectroscopy and x-ray photoelectron spectroscopy for surface analysis

    International Nuclear Information System (INIS)

    Powell, C.J.

    2003-01-01

    A perspective is given of the development and use of surface analysis, primarily by Auger-electron spectroscopy (AES) and x-ray photoelectron spectroscopy (XPS), for solving scientific and technological problems. Information is presented on growth and trends in instrumental capabilities, instrumental measurements with reduced uncertainties, knowledge of surface sensitivity, and knowledge and effects of sample morphology. Available analytical resources are described for AES, XPS, and secondary-ion mass spectrometry. Finally, the role of the American Vacuum Society in stimulating improved surface analyses is discussed

  5. X-ray Photoelectron Spectroscopy study of CaV1-xMoxO3-δ

    Science.gov (United States)

    Belyakov, S. A.; Kuznetsov, M. V.; Shkerin, S. N.

    2018-06-01

    An investigation was carried out on perovskite-based derivatives of CaV1-xMoxO3-δ using X-ray Photoelectron Spectroscopy (XPS). According to the XRD pattern, the area of homogeneity covers the region from x = 0 to x = 0.6. Wide XPS-peaks of Ca, V, Mo and O are observed, signalling that elements are presented in multiple states. A model for explaining the large chemical shifts of XPS peaks due to different charging effects on different parts of the sample surface is proposed.

  6. High resolution X-ray photoelectron spectroscopy of styrene oxide adsorption and reaction on Ag(1 1 1)

    Science.gov (United States)

    Piao, H.; Enever, M. C. N.; Adib, K.; Hrbek, J.; Barteau, M. A.

    2004-11-01

    Synchrotron-based X-ray photoelectron spectroscopy (XPS) has been used to investigate the adsorption and reaction of styrene oxide on Ag(1 1 1). When adsorption is carried out at 250 K or above, ring opening of styrene oxide forms a stable surface oxametallacycle intermediate which eventually reacts at 485 K to regenerate styrene oxide. High resolution XPS is capable of distinguishing the oxametallacycle from molecularly adsorbed and condensed styrene oxide on the basis of different C1s peak separations. The observed separations are well accounted for by the results of DFT calculations.

  7. 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...

  8. Observation of relaxation on time scale of core hole decay by coincidence photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2007-01-01

    It is shown by a many-body theory that when the relaxation time of a metastable core hole state(s) to the most stable one is comparable to or shorter than core hole decay time of the former state(s), a comparison between the singles (noncoincidence) photoelectron spectroscopy (PES) spectrum and the coincidence one provides a direct evidence of the relaxation. In principle the variation with photoelectron kinetic energy of relaxation (or charge transfer (CT)) time can be determined. By singles measurement the correlation of a photoelectron generated by creation of the metastable states not only with an Auger electron generated by annihilation of the same core hole state but also with an Auger electron generated by annihilation of the stable state via relaxation of the metastable state, is completely lost, unless only the metastable state is observed by PES, whereas the correlation often manifests directly in the coincidence spectra. Thus, compared to the coincidence spectroscopy the singles one is often much less capable of elucidating the competition between relaxation and core hole decay of a metastable state. Such examples are discussed

  9. 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

  10. Chemical Insights from Carbon 1s Photoelectron Spectroscopy and Theoretical Modeling

    International Nuclear Information System (INIS)

    Oltedal, Velaug M

    2007-05-01

    Inner-shell ionization energies provide local probes of the charge distribution in molecules and of the ability of a molecule to accept charge at specific sites. As such, core-ionization energies are related to and may provide insight into other chemical properties that depend on the same ability. X-ray photoelectron spectroscopy (XPS) is the preferred tool for exploring core-ionization energies. In the present work, synchrotron radiation was used to acquire photoelectron spectra of several carbon-containing molecules in the gas phase. Carbon 1s ionization energies are of special interest because of the vital role of organic molecules in life processes. A prerequisite for obtaining accurate ionization energies is access to reliable methods for calibration of the energies. This work has been concerned with establishing procedures for very accurate calibration of C1s ionization energies

  11. Alkyl-terminated Si(111) surfaces: A high-resolution, core level photoelectron spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E. [Stanford University, Stanford, California 94309 (United States)

    1999-01-01

    The bonding of alkyl monolayers to Si(111) surfaces has been studied with high-resolution core level photoelectron spectroscopy (PES). Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) Olefin insertion into the H{endash}Si bond of the H{endash}Si(111) surface, and (ii) replacement of Cl on the Cl{endash}Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, PES has revealed a C 1s component shifted to lower binding energy and a Si 2p component shifted to higher binding energy. Both components are attributed to the presence of a C{endash}Si bond at the interface. Along with photoelectron diffraction data [Appl. Phys. Lett. {bold 71}, 1056, (1997)], these data are used to show that these two synthetic methods can be used to functionalize the Si(111) surface. {copyright} {ital 1999 American Institute of Physics.}

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

    Energy Technology Data Exchange (ETDEWEB)

    Goldmann, Maximilian; Miguel-Sánchez, Javier; West, Adam H. C.; Yoder, Bruce L.; Signorell, Ruth, E-mail: rsignorell@ethz.ch [Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich (Switzerland)

    2015-06-14

    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.

  13. Polarization and dipole effects in hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Novak, M. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium); Pauly, N., E-mail: nipauly@ulb.ac.be [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium); Dubus, A. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. F. D. Roosevelt, B-1050 Brussels (Belgium)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer X-rays are unpolarized or linearly polarized. Black-Right-Pointing-Pointer A difference of polarization implies a variation in path travelled by the photoelectrons. Black-Right-Pointing-Pointer We show the influence of the polarization on the partial intensity distributions. Black-Right-Pointing-Pointer We also point out the influence of the dipole approximation. Black-Right-Pointing-Pointer We use Monte Carlo simulations. - Abstract: Hard X-ray photoelectron spectroscopy (HXPS) using X-rays in the 1.5-15 keV energy range generated by synchrotron sources becomes an increasingly important analysis technique due to its potential for bulk sensitive measurements. However, besides their high energy, another characteristic of photons generated by synchrotron sources is their linear polarization while X-rays from Al K{alpha} or Mg K{alpha} for instance are unpolarized. This difference implies a possible variation in total path travelled by the photoelectrons generated by the X-rays inside the medium and consequently a modification of the resulting spectrum shape. We show the influence of the polarization on the partial intensity distributions, namely the number of electrons escaping after n inelastic scattering events, for photoelectron with energies of 0.5, 1, 2, 3, 4 and 5 keV and originating from Si 1s{sub 1/2}, Cu 1s{sub 1/2}, Cu 2p{sub 3/2}, Au 4d{sub 3/2} and Au 4f{sub 7/2} subshells. Moreover, we point out the influence of the dipole approximation leading to an underestimation of the partial intensity distributions due to the neglect of the forward-backward asymmetry of the angular photoelectron distribution.

  14. Development of an Apparatus for High-Resolution Auger Photoelectron Coincidence Spectroscopy (APECS) and Electron Ion Coincidence (EICO) Spectroscopy

    Science.gov (United States)

    Kakiuchi, Takuhiro; Hashimoto, Shogo; Fujita, Narihiko; Mase, Kazuhiko; Tanaka, Masatoshi; Okusawa, Makoto

    We have developed an electron electron ion coincidence (EEICO) apparatus for high-resolution Auger photoelectron coincidence spectroscopy (APECS) and electron ion coincidence (EICO) spectroscopy. It consists of a coaxially symmetric mirror electron energy analyzer (ASMA), a miniature double-pass cylindrical mirror electron energy analyzer (DP-CMA), a miniature time-of-flight ion mass spectrometer (TOF-MS), a magnetic shield, an xyz stage, a tilt-adjustment mechanism, and a conflat flange with an outer diameter of 203 mm. A sample surface was irradiated by synchrotron radiation, and emitted electrons were energy-analyzed and detected by the ASMA and the DP-CMA, while desorbed ions were mass-analyzed and detected by the TOF-MS. The performance of the new EEICO analyzer was evaluated by measuring Si 2p photoelectron spectra of clean Si(001)-2×1 and Si(111)-7×7, and by measuring Si-L23VV-Si-2p Auger photoelectron coincidence spectra (Si-L23VV-Si-2p APECS) of clean Si(001)-2×1.

  15. Functional materials for information and energy technology: Insights by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Müller, Martina; Nemšák, Slavomír; Plucinski, Lukasz; Schneider, Claus M.

    2016-01-01

    Highlights: • Photoemission spectro/microscopy studies of functional material systems. • Hard X-ray photoemission spectroscopy from magnetic semiconductors and insulators. • Information depth studies in hard X-ray photoemission microscopy. • Soft X-ray standing wave ambient pressure photoemission spectroscopy from liquid films. - Abstract: The evolution of both information and energy technology is intimately connected to complex condensed matter systems, the properties of which are determined by electronic and chemical interactions and processes on a broad range of length and time scales. Dedicated photoelectron spectroscopy and spectromicroscopy experiments can provide important insights into fundamental phenomena and applied functionalities. We discuss some recent methodological developments with application to relevant questions in spintronics, and towards operando studies of resistive switching and electrochemical processes.

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

    Energy Technology Data Exchange (ETDEWEB)

    Oloff, L.-P., E-mail: oloff@physik.uni-kiel.de; Hanff, K.; Stange, A.; Rohde, G.; Diekmann, F.; Bauer, M.; Rossnagel, K., E-mail: rossnagel@physik.uni-kiel.de [Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel (Germany)

    2016-06-14

    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.

  17. 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.

  18. Energy band alignment at ferroelectric/electrode interface determined by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Chen Feng; Wu Wen-Bin; Li Shun-Yi; Klein Andreas

    2014-01-01

    The most important interface-related quantities determined by band alignment are the barrier heights for charge transport, given by the Fermi level position at the interface. Taking Pb(Zr,Ti)O 3 (PZT) as a typical ferroelectric material and applying X-ray photoelectron spectroscopy (XPS), we briefly review the interface formation and barrier heights at the interfaces between PZT and electrodes made of various metals or conductive oxides. Polarization dependence of the Schottky barrier height at a ferroelectric/electrode interface is also directly observed using XPS. (topical review - magnetism, magnetic materials, and interdisciplinary research)

  19. Early stages of methanol radiolysis from data of photoelectron spectroscopy and mass spectrometry

    International Nuclear Information System (INIS)

    Kalyazin, E.P.; Kovalev, G.V.

    1982-01-01

    Comparison of data on photoelectron spectroscopy and mass spectrometry permits to conclude that 4 types of molecular ions CH 3 O + H, H + CH 2 OH, H 3 C + OH and CH 3 O + H are initial products of methanol radiolysis. They start four parallel lines of methanol transformations. Mass spectrum of methanol can be evaluated according to the structural formula of methanol molecule. Composition of radiolysis products of gaseous methanol correlate satisfactorily with its mass spectrum. Reasons for the difference in compositions of radiolysis products of liquid and gaseous methanol are discussed

  20. X-ray photoelectron spectroscopy in North America - the early years

    International Nuclear Information System (INIS)

    Shirley, D.A.; Fadley, C.S.

    2004-01-01

    In this paper, we present a brief overview of the beginning years of X-ray photoelectron spectroscopy in the USA, with particular emphasis on activities in Berkeley with which we are more familiar, but comments also on some other significant developments during this period. With some arbitrariness, we have limited ourselves to topics that were at least underway by the time of the first conference in this series in 1971, and thus finally published by 1973 or so. Some key first results or analyses are illuminated with figures from the literature

  1. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics

    Directory of Open Access Journals (Sweden)

    Mizuho Fushitani

    2016-11-01

    Full Text Available We present applications of extreme ultraviolet (XUV single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N2 molecules.

  2. Ionization energies of aqueous nucleic acids: Photoelectron spectroscopy of pyridine nucleosides and ab initio calculations

    Czech Academy of Sciences Publication Activity Database

    Slavíček, Petr; Winter, B.; Faubel, M.; Bradforth, S. E.; Jungwirth, Pavel

    2009-01-01

    Roč. 131, č. 18 (2009), s. 6460-6467 ISSN 0002-7863 R&D Projects: GA MŠk LC512; GA ČR GA203/08/0114 Grant - others:GA ČR(CZ) GP203/07/P449 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503 Keywords : DNA bases * photoelectron spectroscopy * ab initio calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.580, year: 2009

  3. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics.

    Science.gov (United States)

    Fushitani, Mizuho; Hishikawa, Akiyoshi

    2016-11-01

    We present applications of extreme ultraviolet (XUV) single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I 2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N 2 molecules.

  4. Photoelectron imaging spectroscopy for (2+1) resonance-enhanced multiphoton ionization of atomic bromine

    International Nuclear Information System (INIS)

    Kim, Yong Shin; Jung, Young Jae; Kang, Wee Kyung; Jung, Kyung Hoon

    2002-01-01

    Two-photon resonant third photon ionization of atomic bromine (4p 5 2 P 3/2 and 2 P 1/2 ) has been studied using a photoelectron imaging spectroscopy in the wavelength region 250-278 nm. The technique has yielded simultaneously both relative branching ratios to the three levels of Br + ( 3 P 2 , 3 P 0,1 and 1 D 2 ) with 4p 4 configuration and the angular distributions of outgoing photoelectrons. The product branching ratios reveal a strong propensity to populate particular levels in many cases. Several pathways have been documented for selective formation of Br + ( 3 P 2 ) and Br + ( 3 P 0,1 ) ions. In general, the final ion level distributions are dominated by the preservation of the ion core configuration of a resonant excited state. Some deviations from this simple picture are discussed in terms of the configuration interaction of resonant states and the autoionization in the continuum. The photoelectron angular distributions are qualitatively similar for all transitions, with a positive A 2 anisotropy coefficient of 1.0 - 2.0 and negligible A 4 in most cases, which suggests that the angular distribution is mainly determined by the single-photon ionization process of a resonant excited state induced from the third photon absorption

  5. Many-body effect in the partial singles N2,3 photoelectron spectroscopy spectrum of atomic Cd

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    We can extract out the photoelectron kinetic energy (KE) dependent imaginary part of the core-hole self-energy by employing Auger-photoelectron coincidence spectroscopy (APECS). The variation with photoelectron KE in the Auger electron spectroscopy (AES) spectral peak intensity of a selected decay channel measured in coincidence with photoelectrons of a selected KE is the partial singles (non-coincidence) photoelectron spectroscopy (PES) spectrum, i.e., the product of the singles PES one and the branching ratio of the partial Auger decay width of a selected decay channel to the imaginary part of the core-hole self-energy. When a decay channel the partial Auger decay width of which is photoelectron KE independent is selected, we can extract out spectroscopically the imaginary part of the core-hole self-energy because the variation with photoelectron KE in the relative spectral intensity of the partial singles PES spectrum to the singles one is that in the branching ratio of the partial Auger decay width of a selected decay channel. As an example we discussed the N 2,3 -hole self-energy of atomic Cd

  6. Study of organic radicals through anion photoelectron velocity-map imaging spectroscopy

    Science.gov (United States)

    Dixon, Andrew Robert

    .30(4) eV. The EA of methylglyoxal is determined as ≤ 0.8 eV based on the signal-to-noise ratio of the X 1A ' ← X 2A'' transition, with a VDE = 1.28(4) eV. The EA of the a 3A'' ← X 2A '' and A 1A'' ← X 2A'' transitions are determined as 3.28(3) eV and 3.614(5) eV respectively. The intrinsically short-lived ethylenedione molecule (OCCO) was observed and investigated using anion photoelectron spectroscopy. The adiabatic electron affinity of its 3Sigmag □ ground state is 1.936(8) eV. The vibrational progression with a 417(15) cm-1 frequency observed within the triplet band corresponds to a trans-bending mode. Several dissociative singlet states are also observed, corresponding to two components of the 1Delta g state and the 1Sigmag + state. The experimental results are in agreement with the theory predictions and constitute the first spectroscopic observation and characterization of the elusive ethylenedione molecule. Two glyoxal derivatives related to the ethylenedione anion (OCCO -), ethynediolide (HOCCO-) and glyoxalide (OHCCO-), were studied. These anions provide access to the corresponding neutral reactive intermediates: the HOCCO and OHCCO radicals. In the HOCCO/OHCCO anion photoelectron spectrum, we identify several electronic states of this radical system and determine the adiabatic electron affinity of HOCCO as 1.763(6) eV. This result is compared to the corresponding 1.936(8) eV value for ethylenedione (OCCO). Initial attempts were made to detect and observe the dicyanoacetylene anion, NCCCCN- , by photoelectron imaging. While it is believed the experimental design path of H2+ abstraction from fumaronitrile is sound, no spectral signature can be assigned to NCCCCN -. Calculations targeting the low-lying transitions from the anion indicate that the molecule should have a significantly positive electron affinity and at least the ground state should be accessible with the currently available laser sources. The cluster ion O2(N2O) of the same nominal mass as

  7. p-Type dopant incorporation and surface charge properties of catalyst-free GaN nanowires revealed by micro-Raman scattering and X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Wang, Q; Liu, X; Kibria, M G; Zhao, S; Nguyen, H P T; Li, K H; Mi, Z; Gonzalez, T; Andrews, M P

    2014-09-07

    Micro-Raman scattering and X-ray photoelectron spectroscopy were employed to investigate Mg-doped GaN nanowires. With the increase of Mg doping level, pronounced Mg-induced local vibrational modes were observed. The evolution of longitudinal optical phonon-plasmon coupled mode, together with detailed X-ray photoelectron spectroscopy studies, show that the near-surface region of nanowires can be transformed from weakly n-type to p-type with the increase of Mg doping.

  8. Use of X-ray photoelectron spectroscopy to study radiation and thermal effects in polytetrafluoroethylene

    International Nuclear Information System (INIS)

    Wheeler, D.R.; Pepper, S.V.

    1990-01-01

    X-ray photoelectron spectroscopy of the surface and mass spectroscopy of the gas evolved during irradiation and subsequent heating of irradiated polytetrafluoroethylene (PTFE) indicated that the effect of electron irradiation was the same as that of x-irradiation. Saturated fluorocarbon gas was evolved during irradiation and a cross-linked or branched network formed in the surface region. Heating irradiated PTFE to temperatures below 200C resulted in the evolution of additional saturated fluorocarbon gas but no change in the surface. From 200C to 300C, lightly damaged PTFE did not change further, but severely damaged PTFE emitted unsaturated fluorocarbons while the surface underwent apparent partial recovery. These observations demonstrate the thermal instability of the irradiated PTFE surface and allow elaboration of the existing model of radiation damage in PTFE

  9. Bonding in inorganic compounds: a study by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Avanzino, S.C.

    1978-10-01

    Core electron binding energies were measured for a variety of inorganic and organometallic compounds using gas-phase X-ray photoelectron spectroscopy (XPS). The atomic charge distributions in these molecules are deduced from the binding energies, often leading to a better understanding of the bonding in these compounds. The XPS spectra of fifteen volatile tin compounds were recorded. The data suggest that the metal d orbitals are not significantly involved in the bonding. The oxygen ls XPS spectra of gaseous CH 3 Mn(CO) 5 , [π-C 5 H 5 Fe(CO) 2 ] 2 , and Co 4 (CO) 12 can be readily resolved into separate peaks due to bridging and terminal carbonyl groups. The C ls spectrum of Fe(CO) 5 consists of a single symmetric peak. The carbonyl ligand core binding energies of transition-metal carbonyl complexes are sensitive to differences in the metal-to-CO ligand bonding. Both C ls and O ls carbonyl binding energies correlate well with average C-O stretching force constants or average C-O stretching frequencies. The metal and carbonyl binding energies in a series of pentacarbonylmanganese complexes LMn(CO) 5 are a good measure of the relative electronegativities of the ligands L. High-quality X-ray photoelectron spectra have been obtained for compounds dissolved in glycerin solutions, and aqueous solutions were converted into glycerin solutions which gave good XRSspectra of the solutes. The technique appears promising as a future analytical application of X-ray photoelectron spectroscopy. The shifts in the binding energies of oxygen, chlorine, and carbon atoms in some isoelectronic isostructural compounds can be explained in terms of simple trends in atomic charges

  10. Many-body calculation of the coincidence L3 photoelectron spectroscopy main line of Ni metal

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    The partial singles L 3 photoelectron spectroscopy (PES) main line of Ni metal correlated with Auger electrons emitted by the localized L 3 -VV Auger decay is calculated by a many-body theory. The partial singles L 3 PES main line of Ni metal almost coincides in both line shape and peak kinetic energy (KE) with the singles one. The former main line peak shows a KE shift of only 0.01 eV toward the lower KE and a very small asymmetric line shape change compared to the singles one. The asymmetric line shape change and the peak KE shift of the partial singles L 3 main line are very small. However, they are due to the variation with photoelectron KE in the branching ratio of the partial Auger decay width in the partial singles L 3 PES main line by the photoelectron KE dependent imaginary part of the shakeup self-energy. The L 3 PES main line of Ni metal measured in coincidence with the L 3 -VV ( 1 G) Auger electron spectroscopy (AES) main line peak is the partial singles one modulated by a spectral function R a of a fixed energy Auger electron analyzer so that it should show only a symmetric line narrowing by R a compared to the singles one. The L 3 PES main line peak of Ni metal measured in coincidence with the delocalized band-like L 3 -VV AES peak or not completely split-off (or not completely localized) L 3 -VV ( 3 F) AES peak, will show an asymmetric line narrowing and a KE shift compared to the singles one. Thus, the L 3 PES main line of Ni metal in coincidence with various parts of the L 3 -VV AES spectrum depends on which part of the L 3 -VV AES spectrum a fixed energy Auger electron analyzer is set. The experimental verification is in need

  11. Photoelectron-Auger electron coincidence spectroscopy of free molecules: New experiments

    International Nuclear Information System (INIS)

    Ulrich, Volker; Barth, Silko; Lischke, Toralf; Joshi, Sanjeev; Arion, Tiberiu; Mucke, Melanie; Foerstel, Marko; Bradshaw, Alex M.; Hergenhahn, Uwe

    2011-01-01

    Photoelectron-Auger electron coincidence spectroscopy probes the dicationic states produced by Auger decay following the photoionization of core or inner valence levels in atoms, molecules or clusters. Moreover, the technique provides valuable insight into the dynamics of core hole decay. This paper serves the dual purpose of demonstrating the additional information obtained by this technique compared to Auger spectroscopy alone as well as of describing the new IPP/FHI apparatus at the BESSY II synchrotron radiation source. The distinguishing feature of the latter is the capability to record both the photoelectron and Auger electron with good energy and angle resolution, for which purpose a large hemispherical electrostatic analyser is combined with several linear time-of-flight spectrometers. New results are reported for the K-shell photoionization of oxygen (O 2 ) and the subsequent KVV Auger decay. Calculations in the literature for non-coincident O 2 Auger spectra are found to be in moderately good agreement with the new data.

  12. Effective attenuation lengths for quantitative determination of surface composition by Auger-electron spectroscopy and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Jablonski, A.; Powell, C.J.

    2017-01-01

    Highlights: • Effective attenuation lengths (EALs) for determination of surface composition by XPS. • Considerable difference from EALs used for overlayer thickness measurements. • New analytical algorithms for calculating the effective attenuation length. - Abstract: The effective attenuation length (EAL) is normally used in place of the inelastic mean free path (IMFP) to account for elastic-scattering effects when describing the attenuation of Auger electrons and photoelectrons from a planar substrate by an overlayer film. An EAL for quantitative determination of surface composition by Auger-electron spectroscopy (AES) or X-ray photoelectron spectroscopy (XPS) is similarly useful to account for elastic-scattering effects on the signal intensities. We calculated these EALs for four elemental solids (Si, Cu, Ag, and Au) and for energies between 160 eV and 1.4 keV. The XPS calculations were made for two instrumental configurations while the AES calculations were made from the XPS formalism after “switching off” the XPS anisotropy. The EALs for quantitative determination of surface composition by AES and XPS were weak functions of emission angle for emission angles between 0 and 50°. The ratios of the average values of these EALs to the corresponding IMFPs could be fitted to a second-order function of the single-scattering albedo, a convenient measure of the strength of elastic-scattering effects. EALs for quantitative determination of surface composition by AES and XPS for other materials can be simply found from this relationship.

  13. Raman and photoelectron spectroscopic investigation of high-purity niobium materials: Oxides, hydrides, and hydrocarbons

    Science.gov (United States)

    Singh, Nageshwar; Deo, M. N.; Nand, Mangla; Jha, S. N.; Roy, S. B.

    2016-09-01

    We present investigations of the presence of oxides, hydrides, and hydrocarbons in high-purity (residual resistivity ratio, ˜300) niobium (Nb) materials used in fabrication of superconducting radio frequency (SRF) cavities for particle accelerators. Raman spectroscopy of Nb materials (as-received from the vendor as well as after surface chemical- and thermal processing) revealed numerous peaks, which evidently show the presence of oxides (550 cm-1), hydrides (1277 and 1385 cm-1: ˜80 K temperature), and groups of hydrocarbons (1096, 2330, 2710, 2830, 2868, and 3080 cm-1). The present work provides direct spectroscopic evidence of hydrides in the electropolished Nb materials typically used in SRF cavities. Raman spectroscopy thus can provide vital information about the near-surface chemical species in niobium materials and will help in identifying the cause for the performance degradation of SRF cavities. Furthermore, photoelectron spectroscopy was performed on the Nb samples to complement the Raman spectroscopy study. This study reveals the presence of C and O in the Nb samples. Core level spectra of Nb (doublet 3d5/2 and 3d3/2) show peaks near 206.6 and 209.4 eV, which can be attributed to the Nb5+ oxidation state. The core level spectra of C 1 s of the samples are dominated by graphitic carbon (binding energy, 284.6 eV), while the spectra of O 1 s are asymmetrically peaked near binding energy of ˜529 eV, and that indicates the presence of metal-oxide Nb2O5. The valence-band spectra of the Nb samples are dominated by a broad peak similar to O 2p states, but after sputtering (for 10 min) a peak appears at ˜1 eV, which is a feature of the elemental Nb atom.

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

    International Nuclear Information System (INIS)

    Tseplin, E.E.; Tseplina, S.N.; Tuimedov, G.M.; Khvostenko, O.G.

    2009-01-01

    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.

  15. Dealloying of Cu{sub x}Au studied by hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rajput, Parasmani, E-mail: parasmani.rajput@northwestern.edu [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Gupta, Ajay [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Detlefs, Blanka [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Kolb, Dieter M. [Institute for Electrochemistry, University of Ulm, D-89069 Ulm (Germany); Potdar, Satish [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Zegenhagen, Jörg [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France)

    2013-10-15

    Highlights: ► The shift in binding energy of Cu and Au lines in CuAu alloys is opposite to expected from the nobility of the elements. ► The magnitude of the chemical shifts of the metal lines in CuAu alloys is strongly influenced by finite size effects and disorder. ► Cu 3s and/or Au 4f cross-sections are not well described by theory (Scofield). The Cu 3s photoabsorption cross-section seems to be strongly overestimated. ► We find/confirm that (CuAu) dealloying proceeds into depth like a spinodal decomposition. -- Abstract: We studied pristine and leached ultra-thin Cu{sub x}Au (x ≈ 4) films by hard X-ray photoelectron spectroscopy. The Au 4f and Cu 3s core levels show a shift in binding energy which is opposite to expected from the nobility of the elements, which is explained by charge transfer involving differently screening s and d valence levels of the elements [W. Eberhardt, S.C. Wu, R. Garrett, D. Sondericker, F. Jona, Phys. Rev. B 31 (1985) 8285]. The magnitude of the chemical shifts of the metal lines is strongly influenced by the finite size and disorder of the films. Angular dependent photoelectron emission allowed to assess the alloy composition as a function of depth larger than 5 nm. The potential controlled dealloying proceeds into depth like a spinodal decomposition with Cu going into solution and the remaining Au accumulating in the surface region. The compositional gradient did not lead to a significant broadening of the metal photoelectron lines suggesting a non-local screening mechanism.

  16. Scanning photoelectron microscope for nanoscale three-dimensional spatial-resolved electron spectroscopy for chemical analysis.

    Science.gov (United States)

    Horiba, K; Nakamura, Y; Nagamura, N; Toyoda, S; Kumigashira, H; Oshima, M; Amemiya, K; Senba, Y; Ohashi, H

    2011-11-01

    In order to achieve nondestructive observation of the three-dimensional spatially resolved electronic structure of solids, we have developed a scanning photoelectron microscope system with the capability of depth profiling in electron spectroscopy for chemical analysis (ESCA). We call this system 3D nano-ESCA. For focusing the x-ray, a Fresnel zone plate with a diameter of 200 μm and an outermost zone width of 35 nm is used. In order to obtain the angular dependence of the photoelectron spectra for the depth-profile analysis without rotating the sample, we adopted a modified VG Scienta R3000 analyzer with an acceptance angle of 60° as a high-resolution angle-resolved electron spectrometer. The system has been installed at the University-of-Tokyo Materials Science Outstation beamline, BL07LSU, at SPring-8. From the results of the line-scan profiles of the poly-Si/high-k gate patterns, we achieved a total spatial resolution better than 70 nm. The capability of our system for pinpoint depth-profile analysis and high-resolution chemical state analysis is demonstrated. © 2011 American Institute of Physics

  17. 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.

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

    Science.gov (United States)

    Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

    2016-02-09

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Greenblatt, Benjamin J. [Univ. of California, Berkeley, CA (United States)

    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 (~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 I2- photodissociation, modeled using a simulation program which is also detailed in the Appendix. The investigation of I2- photodissociation in several size-selected I2-(Ar)n (n = 6-20) and I2-(CO2)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 I2- on the ground $\\tilde{X}$(2Σu+) state in sufficiently large clusters. Recombination and trapping of I2- on the excited $\\tilde{A}$(2π3/2,g) state is also observed in both types of clusters. The studies have revealed electronic state transitions, the first step in recombination, on a ~500 fs to ~10 ps timescale. Accompanying the changes in electronic state is solvent reorganization, which occurs on a similar timescale. Over longer periods (~1 ps to >200 ps), energy is transferred from vibrationally

  20. Laser-produced lithium plasma as a narrow-band extended ultraviolet radiation source for photoelectron spectroscopy.

    Science.gov (United States)

    Schriever, G; Mager, S; Naweed, A; Engel, A; Bergmann, K; Lebert, R

    1998-03-01

    Extended ultraviolet (EUV) emission characteristics of a laser-produced lithium plasma are determined with regard to the requirements of x-ray photoelectron spectroscopy. The main features of interest are spectral distribution, photon flux, bandwidth, source size, and emission duration. Laser-produced lithium plasmas are characterized as emitters of intense narrow-band EUV radiation. It can be estimated that the lithium Lyman-alpha line emission in combination with an ellipsoidal silicon/molybdenum multilayer mirror is a suitable EUV source for an x-ray photoelectron spectroscopy microscope with a 50-meV energy resolution and a 10-mum lateral resolution.

  1. X-ray photoelectron spectroscopy study on Ba1-xEuxTiO3

    International Nuclear Information System (INIS)

    Lu, D.-Y.; Sugano, Mikio; Sun Xiuyun; Su Wenhui

    2005-01-01

    X-ray photoelectron spectroscopy is employed to study inner-shell core-level binding energies Eu 4d, Ti 2p and O 1s, Ba 3d for new single-phase Ba 1-x Eu x TiO 3 (0.1 ≤ x ≤ 0.4) samples prepared by solid state reaction at 4.0 GPa and 1090 deg. C. The peak positions of binding energies determined by linear background subtraction and Gaussian fit are presented. XPS analysis indicates that the mixed-valent Eu 3+ /Eu 2+ ions at A-site and Ti 4+ /Ti 3+ ions at B-site coexisted in the Ba 1-x Eu x TiO 3 powder surface, and the amount of Eu 2+ ions is equal to Eu 3+ ions

  2. Analysis of Ti/Mo film by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Mou Fangming; Tu Bing; Yao Bing; Liu Jinhua; Long Xinggui

    2002-01-01

    Chemical elements and their electronic binding energy on surface of Ti film and bulk are analyzed by X-ray photoelectron spectroscopy (XPS) and Ar + etching. The results show that the surface of specimens is contaminated by carbon and oxygen. Mo on surface of Ti film is from substrate. The XPS spectra of Ti 2p of the etched specimens are fitted on. The results show that Ti chemical states on surface of Ti film are TiO 2 with a content of approaching to 100% and a little Ti. Some TiO 2 will be reduced to low chemical states with the increasing of etching time. The chemical states of Mo on surface of Ti film are MoO 3 and Mo. The content of Mo increases as etching time increasing. Chemical state of carbon on the surface of film is graphite and carbide with binding energy of 288.2-288.9 eV

  3. Photoelectron spectroscopy study of the X-ray-induced decomposition of some gold(III) dithiocarbamates

    International Nuclear Information System (INIS)

    Attekum, P.M.Th.M. van; Trooster, J.M.

    1980-01-01

    The factors influencing the decomposition rate of two gold(III) complexes, [AuMe 2 (S 2 CNMe 2 )] and [AuBr 2 (S 2 CNPr 2 sup(n))]; in an X-ray photoelectron spectroscopy experiment have been studied. It is shown that the decomposition rate can be slowed down by using graphite as substrate and by lowering the sample temperature. From the Au(4f) spectrum a direct measure has been made of the shift in the binding energy between Ausup(III) and Ausup(I) and this shift is shown to be dependent on the electronegativity of the ligands. The valence bands of the complexes show a narrow Au(5d) band with a spin-orbit splitting of ca. 1.6 eV. (author)

  4. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zanni, Martin Thomas [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    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.

  6. Characterization of the implantation damage in SiO2 with x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ajioka, T.; Ushio, S.

    1986-01-01

    X-ray photoelectron spectroscopy (XPS) has been applied to characterize the damage introduced into SiO 2 by ion implantation. By measuring the peak width of Si/sub 2p/ from SiO 2 which corresponds to perturbation of the SiO 2 network, good depth profiles of the damage have been obtained for implanted samples and subsequently annealed samples. The results show that the damage distributed more widely than that calculated from energy deposition and that the perturbation of the network is caused not only by radiation damage but also by the existence of impurities in the network. It has been found that the XPS method is effective to understand the atomic structure, and thus, electrical properties of SiO 2

  7. X-ray photoelectron spectroscopy study of excimer laser treated alumina films

    Science.gov (United States)

    Georgiev, D. G.; Kolev, K.; Laude, L. D.; Mednikarov, B.; Starbov, N.

    1998-01-01

    Amorphous alumina layers are deposited on a single crystal Si substrate by a e-gun evaporation technique. These films are then thermally annealed in oxygen to be crystallized and, further, irradiated with an excimer laser beam. At each stage of the film preparation, an x-ray photoelectron spectroscopy analysis is performed at the film surface and in depth, upon ion beam grinding. Results give evidence for the formation of an aluminosilicate upon thermal annealing of the film in oxygen. At the surface itself, this compound is observed to decompose upon excimer laser irradiation at energy densities exceeding 1.75 J/cm2, giving rise to free Si atoms and SiO2, however with complete disappearance of Al atoms. Model photochemical reactions are proposed to explain such transformations.

  8. Research and industrial application of x-ray photoelectron spectroscopy (XPS) in Malaysia

    International Nuclear Information System (INIS)

    Mohd Ambar Yarmo; Abd Razak Daud; Abdul Kariem Arof

    2000-01-01

    As a developing country, Malaysia is fully committed to research and development especially for industrial development. One of priority fields is advanced materials and surface analysis of such materials is an important aspect in research. Among the tools for surface science analysis is x-ray photoelectron spectroscopy (XPS) which can be considered new to this country. The industrial sector is also keen to solve their problems and developing their products using XPS. The microelectronic and electrical industries are interested in solving problems related to metal-metal joining , gold silica peeling, surface corrosion and surface coating. The glove industry uses XPS to solve problems due to staining and color fading of their products. Research conducted in universities and research institutes that mainly deal with catalysis, membranes for fuel cells, sensors, batteries, corrosion phenomena and interface interaction in coating finds XPS a useful technique for surface studies. Specific examples from various sectors will be presented in this paper. (Author)

  9. X-ray photoelectron spectroscopy study of CO2 reaction with polycrystalline uranium surface

    International Nuclear Information System (INIS)

    Liu Kezhao; Yu Yong; Zhou Juesheng; Wu Sheng; Wang Xiaolin; Fu Yibei

    1999-10-01

    The adsorption of CO 2 on 'clean' depleted polycrystalline uranium metal surface has been studied by X-ray photoelectron spectroscopy (XPS) at 300 K. The 'clean' surface were prepared by Ar + ion sputtering under ultra-high vacuum (UHV) condition with a base pressure 6.7 x 10 -8 Pa. The result s shows that adsorption of CO 2 on 'clean' uranium metal took place in total dissociation, and leads to the formation of uranium dioxide, uranium carbides and free carbon. The total dissociation of CO 2 produced carbon, oxygen species, CO 2 2- and CO 3 2- species. The diffusion tendency of carbon was much stronger than that of oxygen, and led to form a carbide in oxide-metal interface while the oxygen remained on their surface as an oxide

  10. Synchrotron radiation photoelectron spectroscopy study of dextran-coated Fe3O4 magnetic nanoparticles

    International Nuclear Information System (INIS)

    Li Shaoxia; Meng Qiang; Wang Bing; Feng Weiyue; Wang Zhuo; Kui Rexi; Qian Haijie; Wang Jia'o

    2009-01-01

    Dextran-coated Fe 3 O 4 nanoparticles were prepared by untrasonification of Fe 3 O 4 nanoparticles with dextran at 85 degree C in sodium citrate medium. The surface chemical component, structure and bond of uncoated and dextran-coated nanoparticles were measured by synchrotron radiation XPS(X-ray photoelectron spectroscopy). Qualitative and quantitative analysis of C1s and O1s of Fe 3 O 4 and dextran-Fe 3 O 4 showed that the Fe 3 O 4 nanoparticles were successively coated by sodium citrate via Fe-O-C bond, and dextrans, which can be linked with their carboxylate moiety via hydrogen bond. Sodium citrate could enhance the disperse stability of reaction system and hydrophilicity of dextran-Fe 3 O 4 . (authors)

  11. Analysis of electron-irradiated poly-ether ether ketone by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Oyabu, Matashige; Kobayashi, Yoshinori; Seguchi, Tadao; Sasuga, Tsuneo; Kudoh, Hisaaki.

    1995-01-01

    Organic polymers used in atomic power plants or space are damaged by ionizing irradiation. Radicals produced by irradiation cause oxidation, chain scission and crosslinking, all of which lead to degradation of the material. In this paper, the surface of electron-irradiated poly-ether ether ketone (PEEK) was studied by X-ray photoelectron spectroscopy (XPS). The irradiation in air was found to oxidize the PEEK surface producing carboxyl groups, the content of which dependant on the dose. Carboxyl groups were not produced in helium gas. Quantitative spectral analysis indicated that the aromatic structure might be decomposed. Some comparison was made between the semicrystalline and amorphous samples. The oxygen content resulting from irradiation, of semicrystalline PEEK increased more than that of amorphous PEEK. (author)

  12. X-ray photoelectron spectroscopy study of radiofrequency-sputtered refractory compound steel interfaces

    Science.gov (United States)

    Wheeler, D. R.; Brainard, W. A.

    1978-01-01

    Radiofrequency sputtering was used to deposit Mo2C, Mo2B5, and MoSi2 coatings on 440C steel substrates. Both sputter etched and preoxidized substrates were used, and the films were deposited with and without a substrate bias of -300 V. The composition of the coatings was measured as a function of depth by X-ray photoelectron spectroscopy combined with argon ion etching. In the interfacial region there was evidence that bias produced a graded interface in Mo2B5 but not in Mo2C. Oxides of iron and of all film constituents except carbon were presented in all cases but the iron oxide concentration was higher and the layer thicker on the preoxidized substrates. The film and iron oxides were mixed in the MoSi2 and Mo2C films but layered in the Mo2B5 film. The presence of mixed oxides correlates with enhanced film adhesion.

  13. Time-resolved x-ray laser induced photoelectron spectroscopy of isochoric heated copper

    International Nuclear Information System (INIS)

    Nelson, A.J.; Dunn, J.; Hunter, J.; Widmann, K.

    2005-01-01

    Time-resolved x-ray photoelectron spectroscopy is used to probe the nonsteady-state evolution of the valence band electronic structure of laser heated ultrathin (50 nm) copper. A metastable phase is studied using a 527 nm wavelength 400 fs laser pulse containing 0.1-2.5 mJ laser energy focused in a large 500x700 μm 2 spot to create heated conditions of 0.07-1.8x10 12 W cm -2 intensity. Valence band photoemission spectra are presented showing the changing occupancy of the Cu 3d level with heating are presented. These picosecond x-ray laser induced time-resolved photoemission spectra of laser-heated ultrathin Cu foil show dynamic changes in the electronic structure. The ultrafast nature of this technique lends itself to true single-state measurements of shocked and heated materials

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

    International Nuclear Information System (INIS)

    Zanni, Martin T.

    1999-01-01

    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

  15. Electronic structure of pentacene on hafnium studied by ultraviolet photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Kang, Seong Jun; Yi, Yeon Jin; Kim, Chung Yi; Whang, Chung Nam

    2005-01-01

    The electronic structure of pentacene on hafnium, which is a low work function metal, was analyzed by using ultraviolet photoelectron spectroscopy. The energy level alignment was studied by using the onset of the highest occupied molecular orbital level and the shift of the vacuum level of the pentacene layer, which was deposited on a clean hafnium surface in a stepwise manner. The measured onset of the highest occupied molecular orbital energy level was 1.52 eV from the Fermi level of hafnium. The vacuum level was shifted 0.28 eV toward higher binding energy with additional pentacene layers, which means an interfacial dipole exists at the interface between pentacene and hafnium. We confirm that a small electron injection barrier can be achieved by inserting a low work function metal in a pentacene thin-film transistor.

  16. In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap

    Science.gov (United States)

    Blomberg, S.; Hoffmann, M. J.; Gustafson, J.; Martin, N. M.; Fernandes, V. R.; Borg, A.; Liu, Z.; Chang, R.; Matera, S.; Reuter, K.; Lundgren, E.

    2013-03-01

    We present high-pressure x-ray photoelectron spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition at the surface and in the near-surface gas phase, we reveal both O-covered pristine Pd(100) and a surface oxide as stable, highly active phases in the near-ambient regime accessible to HP-XPS. Surprisingly, no adsorbed CO can be detected during high CO2 production rates, which can be explained by a combination of a remarkably short residence time of the CO molecule on the surface and mass-transfer limitations in the present setup.

  17. Characterization of Colloidal Quantum Dot Ligand Exchange by X-ray Photoelectron Spectroscopy

    Science.gov (United States)

    Atewologun, Ayomide; Ge, Wangyao; Stiff-Roberts, Adrienne D.

    2013-05-01

    Colloidal quantum dots (CQDs) are chemically synthesized semiconductor nanoparticles with size-dependent wavelength tunability. Chemical synthesis of CQDs involves the attachment of long organic surface ligands to prevent aggregation; however, these ligands also impede charge transport. Therefore, it is beneficial to exchange longer surface ligands for shorter ones for optoelectronic devices. Typical characterization techniques used to analyze surface ligand exchange include Fourier-transform infrared spectroscopy, x-ray diffraction, transmission electron microscopy, and nuclear magnetic resonance spectroscopy, yet these techniques do not provide a simultaneously direct, quantitative, and sensitive method for evaluating surface ligands on CQDs. In contrast, x-ray photoelectron spectroscopy (XPS) can provide nanoscale sensitivity for quantitative analysis of CQD surface ligand exchange. A unique aspect of this work is that a fingerprint is identified for shorter surface ligands by resolving the regional XPS spectrum corresponding to different types of carbon bonds. In addition, a deposition technique known as resonant infrared matrix-assisted pulsed laser evaporation is used to improve the CQD film uniformity such that stronger XPS signals are obtained, enabling more accurate analysis of the ligand exchange process.

  18. 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.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    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 Si 2+ and Al 2+ cation mobility under the influence of voltage potential between the cathode and anode will be discussed in detail

  20. 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.

  1. Structure of Se-rich As-Se glasses by high-resolution x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Golovchak, R.; Kovalskiy, A.; Miller, A. C.; Jain, H.; Shpotyuk, O.

    2007-01-01

    To establish the validity of various proposed structural models, we have investigated the structure of the binary As x Se 100-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 As x Se 100-x bulk glasses. The results also indicate small deviations (∼3-8%) from this model, especially for glass compositions with short Se chains (25 40 Se 60 and of Se-Se-Se fragments in a glass with composition x=30 is established

  2. Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

    Science.gov (United States)

    Lou, Leo; Nelson, Alan E.; Heo, Giseon; Major, Paul W.

    2008-08-01

    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.

  3. Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Lou, Leo [Orthodontic Graduate Program, Faculty of Medicine and Dentistry, University of Alberta (Canada); Nelson, Alan E. [Department of Chemical and Materials Engineering, University of Alberta (Canada)], E-mail: aenelson@dow.com; Heo, Giseon [Department of Statistics, Department of Dentistry, University of Alberta (Canada); Major, Paul W. [Orthodontic Graduate Program, Faculty of Medicine and Dentistry, University of Alberta (Canada)

    2008-08-30

    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.

  4. Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    Lou, Leo; Nelson, Alan E.; Heo, Giseon; Major, Paul W.

    2008-01-01

    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

  5. In-situ observation of oxidation of Ti(0001) surface by real-time photoelectron spectroscopy using synchrotron radiation

    CERN Document Server

    Takakuwa, Y; Yoshigoe, A; Teraoka, Y; Mizuno, Y; Tonda, H; Homma, T

    2003-01-01

    Temperature dependence of the initial oxidation kinetics of Ti(0001) surface was investigated by low energy electron diffraction (LEED) and real-time photoelectron spectroscopy using synchrotron radiation of surface- and bulk-sensitive photon energies. LEED observation revealed that oxide layers grow epitaxially with different surface structures depending on temperature: 1x1 at 200degC and sq root 3 x sq root 3 at 400degC. From the oxygen uptake curve measured by O 1s photo-electron intensity, it was clarified that oxygen diffusion through the epitaxially grown oxide layer is significantly enhanced with raising temperature, making the oxide layer thicker than 70A at 400degC. The chemical shift components observed for Ti 2p showed that TiO sub 2 becomes predominant at the subsurface with O sub 2 dose, while the stoichiometry of oxide near the interface is maintained as TiO and Ti sub 2 O sub 3 , for both cases at 200degC and 400degC. Thus it is concluded that the epitaxial growth of a very thin oxide on the Ti...

  6. 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

  7. X-ray photoelectron spectrometer calibration and thin film investigations on germanium oxides

    OpenAIRE

    Deegan, Terri

    1998-01-01

    The first aim of this project was the characterisation of the VG Scientific Clam 100 based, XPS (X-ray Photoelectron Spectroscopy). Spectrometer in the Physics department at Dublin City University Detailed energy scale and intensity scale calibrations were carried out using sputter-cleaned Au (Gold), Ag (Silver), Cu (Copper) and Pd (Palladium) foil samples. Analysis of these calibration spectra against standard reference spectra led to an accurate energy calibration and the production of indi...

  8. Study of non stoichiometric pure and Zr-Doped yttria surfaces by X-Ray photoelectron spectroscopy and scanning electron microscopy

    International Nuclear Information System (INIS)

    Gautier, M.; Duraud, J.P.; Jollet, F.; Thromat, N.; Maire, P.; Le Gressus, C.

    1988-01-01

    Surfaces of oxygen-deficient yttrium oxide, pure or Zr-doped, have been studied by means of X-ray photoelectron spectroscopy and scanning electron microscopy. The bulk local geometric structure of these non-stoichiometric compounds was previously determined around the Y atom by an EXAFS (Extended X-ray absorption fine structure) study. The local electronic structure around both Y and O, at the surface, was investigated by X-ray photoelectron spectroscopy. The partial transfer of the electronic distribution between the anion and the cation was probed using the Auger parameter. Coupling of these experiments with microscopic observations show that: - In the pure oxygen-deficient sample, the concentration of oxygen vacancies appears to be increased at the grain boundaries. - The Auger parameter shows upon reduction an evolution of the Y-O bond towards a more covalent one, this evolution being modulated with the presence of Zr0 2

  9. Multivariate statistical analysis for x-ray photoelectron spectroscopy spectral imaging: Effect of image acquisition time

    International Nuclear Information System (INIS)

    Peebles, D.E.; Ohlhausen, J.A.; Kotula, P.G.; Hutton, S.; Blomfield, C.

    2004-01-01

    The acquisition of spectral images for x-ray photoelectron spectroscopy (XPS) is a relatively new approach, although it has been used with other analytical spectroscopy tools for some time. This technique provides full spectral information at every pixel of an image, in order to provide a complete chemical mapping of the imaged surface area. Multivariate statistical analysis techniques applied to the spectral image data allow the determination of chemical component species, and their distribution and concentrations, with minimal data acquisition and processing times. Some of these statistical techniques have proven to be very robust and efficient methods for deriving physically realistic chemical components without input by the user other than the spectral matrix itself. The benefits of multivariate analysis of the spectral image data include significantly improved signal to noise, improved image contrast and intensity uniformity, and improved spatial resolution - which are achieved due to the effective statistical aggregation of the large number of often noisy data points in the image. This work demonstrates the improvements in chemical component determination and contrast, signal-to-noise level, and spatial resolution that can be obtained by the application of multivariate statistical analysis to XPS spectral images

  10. X-ray photoelectron spectroscopy of rice husk surface modified with maleated polypropylene and silane

    International Nuclear Information System (INIS)

    Park, B.-D.; Wi, Seung Gon; Lee, Kwang Ho; Singh, A.P.; Yoon, Tae-Ho; Kim, Y.S.

    2004-01-01

    Rice husks were subjected to dry-grinding and steam-explosion to reduce their sizes. Subsequently, the surface of rice husk particles was modified using two different coupling agents, maleated polypropylene (MAPP) and γ-aminopropyltriethoxysilane (γ-APS, A-1100) to induce chemical reactions between the husk surface and the coupling agents used. The modified surface properties of rice husk were examined using X-ray photoelectron spectroscopy and FT-IR spectroscopy. Dry grinding, a simple method of fracturing husk, provided particulate segments, while steam explosion separated husk into fibrous components. When treated with MAPP, the O/C ratio of the husk surface decreased for both dry ground and steam-exploded husk. The γ-APS treatment resulted in an increase in the Si/O ratio for dry ground husk surface while this ratio decreased for steam-exploded husk particles. These results indicated that both coupling agents might be linked to the husk surface through chemical reactions. FT-IR results also supported the occurrence of ester and ether bonds after treatment of husks with MAPP and γ-APS. The present work suggested that the method of preparing rice husk particles had a great impact on their surface properties, and would therefore affect the interfacial adhesion in rice husk-thermoplastic composites

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

    International Nuclear Information System (INIS)

    Dararutana, P.

    2014-01-01

    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 -NO 2 , -ONO 2 and/or -NHNO 2 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.

  12. Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels

    International Nuclear Information System (INIS)

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

    2011-01-01

    The results of experimental studies of the valence electronic structure of 1-butene employing photoelectron spectroscopy as well as electron momentum spectroscopy are interpreted on the ground of quantitative calculations of one-electron and shake-up ionization energies and of the related Dyson orbitals, using one-particle Green's function theory in conjunction with the third-order algebraic diagrammatic construction scheme (ADC(3)). Comparison is made with simulations of (e, 2e) electron momentum distributions obtained from standard (B3LYP) Kohn-Sham orbitals. Our analysis is based on highly quantitative determinations of the energy difference between the cis and gauche (C 1 ) conformers, within ∼0.02 kcal mol -1 accuracy, and a thermostatistical evaluation thereby of conformer weights beyond the level of the rigid rotor harmonic oscillator approximation. Relative entropies are found to be particularly sensitive to hindered rotations. The shake-up onset is located at 15.9 eV, and the orbital picture of ionization breaks down completely at electron binding energies above 19 eV. If the available experimental momentum profiles demonstrate the dominance of the C 1 conformer, they are in this case clearly not sensitive enough to the molecular conformation for evaluating conformer abundances with accuracies better than 10% due to the limited energy and momentum resolutions and likely physical complications.

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

    NARCIS (Netherlands)

    Woutersen, S.; de Milan, J.B.; de Lange, C.A.; 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

  14. X-ray photoelectron spectroscopy study of {beta}-BaB{sub 2}O{sub 4} optical surface

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V.; Kesler, V.G.; Kokh, A.E.; Pokrovsky, L.D

    2004-02-29

    An X-ray photoelectron spectroscopy (XPS) study has been performed for (0 0 1) BaB{sub 2}O{sub 4}. The crystal surface has been polished mechanically and cleaned by chemical etching. In XPS observation, depth profiling has been produced by sputtering with Ar{sup +} 3 keV ions. Photoelectron binding energies of original element core levels and valence band have been measured as a function of sputtering time. The persistence of binding energies of barium and boron core levels and valence band structure has been found. For O 1 s core level the formation of new spectral components with lower binding energies has been revealed.

  15. A high pressure x-ray photoelectron spectroscopy experimental method for characterization of solid-liquid interfaces demonstrated with a Li-ion battery system

    Energy Technology Data Exchange (ETDEWEB)

    Maibach, Julia; Xu, Chao; Gustafsson, Torbjörn; Edström, Kristina [Department of Chemistry–Ångström Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Eriksson, Susanna K. [Department of Chemistry–Ångström Laboratory, Uppsala University, Box 523, SE-751 20 Uppsala (Sweden); Åhlund, John [VG Scienta AB, Box 15120, SE-750 15 Uppsala (Sweden); Siegbahn, Hans; Rensmo, Håkan; Hahlin, Maria, E-mail: maria.hahlin@physics.uu.se [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden)

    2015-04-15

    We report a methodology for a direct investigation of the solid/liquid interface using high pressure x-ray photoelectron spectroscopy (HPXPS). The technique was demonstrated with an electrochemical system represented by a Li-ion battery using a silicon electrode and a liquid electrolyte of LiClO{sub 4} in propylene carbonate (PC) cycled versus metallic lithium. For the first time the presence of a liquid electrolyte was realized using a transfer procedure where the sample was introduced into a 2 mbar N{sub 2} environment in the analysis chamber without an intermediate ultrahigh vacuum (UHV) step in the load lock. The procedure was characterized in detail concerning lateral drop gradients as well as stability of measurement conditions over time. The X-ray photoelectron spectroscopy (XPS) measurements demonstrate that the solid substrate and the liquid electrolyte can be observed simultaneously. The results show that the solid electrolyte interphase (SEI) composition for the wet electrode is stable within the probing time and generally agrees well with traditional UHV studies. Since the methodology can easily be adjusted to various high pressure photoelectron spectroscopy systems, extending the approach towards operando solid/liquid interface studies using liquid electrolytes seems now feasible.

  16. X-ray absorption and resonant photoelectron spectroscopy of epitaxial Fe-doped SrTiO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Koehl, Annemarie; Lenser, Christian; Xu, Chencheng; Wicklein, Sebastian; Dittmann, Regina [Peter Gruenberg Institut 7, Forschungszentrum Juelich GmbH (Germany); Kajewski, Dariusz; Kubacki, Jurek; Szade, Jacek [A.Chelkowski Institute of Physics, University of Silesia, Katowic (Poland)

    2012-07-01

    In recent years resistive switching in transition metal oxides received a lot of research interest due to the proposed application as non-volatile data memory. SrTiO{sub 3} serves as a model system for the investigation of resistive switching due to the valency change mechanism. Frequently, slightly Fe doping is used, as it has shown to improve the switching properties. The focus of this study is the effect of Fe-doping of SrTiO{sub 3} in thin epitaxial films. Thin film samples with Fe concentration of 2 at.% and 5 at.% were prepared by pulsed laser deposition at varying substrate temperatures. The surface morphology of the films is studied with AFM. X-ray absorption spectroscopy is performed in total-electron and auger-electron yield offering different probing depths. Significant variations of the Fe-L edge between bulk and interface as well as after annealing are observed and discussed in terms of integration into the lattice and evolution of secondary phases. Resonant photoelectron spectroscopy at the absorption edge of Ti, O and Fe was used to determine the spectral contributions to the valence band. Most noteworthy we find significant spectral weight above the valence band, which can be attributed to Fe-states.

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

    Science.gov (United States)

    Banerjee, A.; Chaudhari, S. M.; 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 xNi 1- xO 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 xNi 1- xO 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 in terms of earlier findings in pure and low Li doped NiO.

  18. 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...

  19. Study of fine films nature on the surface of copper band by photoelectron spectroscopy method

    International Nuclear Information System (INIS)

    Reznichenko, K.N.; Fedorov, V.N.; Shevakin, Yu.F.

    1983-01-01

    The composition of surface films formed on the copper band of industrial production under atmospheric conditions, its changes in thickness and determination of chemical state of the above films are studied. It has been found by the methods of X-ray photoelectronic and Auger-spectroscopy that defect formations on the surface of the copper band of industrial production represent copper oxides in the form of fine films, their change in colour from blue to dark blue probably is determined by different thickness of these defects. The said films on copper have practically identical chemical composition characterized by the presence of unequally valent copper, oxygen in various states (adsorbed and in the form of oxides), carbon and iron. By means of chemical shifts of the line Cu 2psub(3/2) and Ol s the presence in the external part of the film of CuO copper oxide is established and nearer to the interface surface film-metal-of Cu 2 O cuprous oxide which indicates a two-layer surface film structure. The presence of adsorbed carbon and iron in the film composition is a result of surface contamination

  20. Electronic structure of the L-cysteine films on dental alloys studied by ultraviolet photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ogawa, K; Takahashi, K; Azuma, J; Kamada, M; Tsujibayashi, T; Ichimiya, M

    2013-01-01

    The valence electronic structures of the dental alloys, type 1, type 3, K14, and MC12 and their interaction with L-cysteine have been studied by ultraviolet photoelectron spectroscopy with synchrotron radiation. It was found that the electronic structures of the type-1 and type-3 dental alloys are similar to that of polycrystalline Au, while that of the K14 dental alloy is much affected by Cu. The electronic states of the MC12 dental alloy originate dominantly from Cu 3d states and Pd 4d states around the top of the valence bands, while the 4∼7-eV electronic structure of MC12 originates from the Ag 4d states. The peak shift and the change in shape due to alloying are observed in all the dental alloys. For the L-cysteine thin films, new peak or structure observed around 2 eV on all the dental alloys is suggested to be due to the bonding of S 3sp orbitals with the dental alloy surfaces. The Cu-S bond as well as the Au-S and Au-O bonds may cause the change in the electronic structure of the L-cysteine on type 1, type 3 and K14. For MC12, the interaction with L-cysteine may be dominantly due to the Pd-S, Cu-S, and Ag-O bonds, while the contribution of the Ag-S bond is small.

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

    International Nuclear Information System (INIS)

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

    2004-01-01

    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 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

  2. 5 years of ambient pressure photoelectron spectroscopy (APPES) at the Swiss Light Source (SLS)

    Energy Technology Data Exchange (ETDEWEB)

    Olivieri, Giorgia [Laboratory for Surface Science and Technology, Department of Materials, ETH Zürich, CH-8093, Zurich (Switzerland); Giorgi, Javier B. [Department of Chemistry and Biomolecular Sciences, and Centre for Catalysis Research and Innovation, University of Ottawa, Ottawa, Ontario, K1N 6N5 (Canada); Green, Richard G. [Measurement Science and Standards, National Research Council Canada, Ottawa, Ontario K1A 0R6 (Canada); Brown, Matthew A., E-mail: matthew.brown@mat.ethz.ch [Laboratory for Surface Science and Technology, Department of Materials, ETH Zürich, CH-8093, Zurich (Switzerland)

    2017-04-15

    Highlights: • A review of the ongoing research using the APPES endstation of the Swiss Light Source is presented. • Research interests include the liquid-vapor, liquid-nanoparticle and vapor-solid interfaces. • An outlook to the next five years of research at the Swiss Light Source is presented. - Abstract: In March of 2012 an endstation dedicated to ambient pressure photoelectron spectroscopy (APPES) was installed at the Swiss Light Source (SLS) synchrotron radiation facility on the campus of the Paul Scherrer Institute (PSI). The endstation is mobile and operated at the vacuum ultraviolet (VUV), Surfaces/Interfaces: Microscopy (SIM) and Phoenix beamlines, which together afford a nearly continuous photon energy range from 5−8000 eV. This broad energy range is by far the widest available to a single currently operational APPES endstation. During its first five years of operation this endstation has been used to address challenging fundamental problems in the areas of soft-matter colloidal nanoscience, environmental science and energy storage—research that encompasses the liquid-nanoparticle, liquid-vapor (or vacuum) and solid-vapor interfaces. Here we present select highlights of these results and offer an outlook to the next five years of APPES research at the SLS.

  3. X ray photoelectron spectroscopy (XPS) analysis of Photosensitive ZrO2 array

    Science.gov (United States)

    Li, Y.; Zhao, G.; Zhu, R.; Kou, Z.

    2018-03-01

    Based on organic zirconium source as the starting material, by adding chemical modifiers which are made up with photosensitive ZrO2 sol. A uniformed ZrO2 array dot was fabricated with a mean diameter of around 800 nm. By using UV-vis spectra and X-ray photoelectron spectroscopy analysis method, studies the photosensitive ZrO2 gel film of photochemical reaction process and the photosensitive mechanism, to determine the zirconium atom centered chelate structure, reaction formed by metal chelate Zr atom for the center, and to establish the molecular model of the chelate. And studied the ultraviolet light in the process of the variation of the XPS spectra, Zr3d5/2 to 184.9 eV corresponding to the binding energy of the as the combination of state peak gradually reduce; By combining with the status of Zr-O peak gradually increase; The strength of the peak is gradually decline. This suggests that in the process of ultraviolet light photo chemical reaction happened. This study is of great significance to the micro fabrication of ZrO2 array not only to the memory devices but also to the optical devices.

  4. Recent progress of soft X-ray photoelectron spectroscopy studies of uranium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fujimori, Shin-ichi; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Fujimori, Atsushi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, University of Tokyo, Hongo, Tokyo 113-0033 (Japan); Yamagami, Hiroshi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan); Yamamoto, Etsuji; Haga, Yoshinori [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Ōnuki, Yoshichika [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Faculty of Science, University of the Ryukyus, Nishihara, Okinawa 903-0213 (Japan)

    2016-04-15

    Recent progresses in the soft X-ray photoelectron spectroscopy (PES) studies (hν ≳ 100 eV) for uranium compounds are briefly reviewed. The soft X-ray PES has enhanced sensitivities for the bulk U 5f electronic structure, which is essential to understand the unique physical properties of uranium compounds. In particular, the recent remarkable improvement in energy resolutions from an order of 1 eV to 100 meV made it possible to observe fine structures in U 5f density of states. Furthermore, soft X-ray ARPES becomes available due to the increase of photon flux at beamlines in third generation synchrotron radiation facilities.The technique made it possible to observe bulk band structures and Fermi surfaces of uranium compounds and therefore, the results can be directly compared with theoretical models such as band-structure calculations. The core-level spectra of uranium compounds show a systematic behavior depending on their electronic structures, suggesting that they can be utilized to determine basic physical parameters such as the U 5f-ligand hybridizations or Comlomb interaction between U 5f electrons. It is shown that soft X-ray PES provides unique opportunities to understand the electronic structures of uranium compounds.

  5. 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.

  6. X-ray photoelectron spectroscopy characterization of high dose carbon-implanted steel and titanium alloys

    Science.gov (United States)

    Viviente, J. L.; García, A.; Alonso, F.; Braceras, I.; Oñate, J. I.

    1999-04-01

    A study has been made of the depth dependence of the atomic fraction and chemical bonding states of AISI 440C martensitic stainless steel and Ti-6Al-4V alloy implanted with 75 keV C + at very high doses (above 10 18 ions cm -2), by means of X-ray photoelectron spectroscopy combined with an Ar + sputtering. A Gaussian-like carbon distribution was observed on both materials at the lowest implanted dose. More trapezoidal carbon depth-profiles were found with increasing implanted doses, and a pure carbon layer was observed only on the titanium alloy implanted at the highest dose. The implanted carbon was combined with both base metal and carbon itself to form metallic carbides and graphitic carbon. Furthermore, carbon-enriched carbides were also found by curve fitting the C 1s spectra. The titanium alloy showed a higher carbidic contribution than the steel implanted at the same C + doses. A critical carbon concentrations of about 33 at.% and 23 at.% were measured for the formation of C-C bonds in Ti-6Al-4V and steel samples, respectively. The carbon atoms were bound with metal to form carbidic compounds until these critical concentrations were reached; when this C concentration was exceeded the proportion of C-C bonds increased and resulted in the growth of carbonaceous layers.

  7. X-ray photoelectron spectroscopy studies of hard coatings formed by titanium on 304 stainless steel

    International Nuclear Information System (INIS)

    Nair, M.R.; Kothari, D.C.; Rangwala, A.A.; Lal, K.B.; Prabhawalkar, P.D.; Raole, P.M.

    1986-01-01

    Titanium ions are implanted (at 30 keV) in 304 stainless steel to a dose of 1.8x10 17 ions cm -2 using 15 μA cm -2 and 5 μA cm -2 beam current densities for specimens 2 and 3 respectively. X-ray photoelectron spectroscopy (XPS) measurements are performed at different temperatures. The microhardness of implanted and unimplanted specimens is also measured. In specimen 2 the microhardness does not increase significantly and XPS measurements give evidence of carburized surface alloy formation. At 250 0 C TiO 2 is detected on the surface and it migrates into the bulk phase above 350 0 C. In specimen 3 the XPS measurements exhibit an absence of iron owing to the radiation-induced segregation of titanium on the surface. This specimen shows an increase in microhardness. The XPS measurements reveal a layer of (TiC x -C) on the surface which is suggested to be responsible for the increase in microhardness. Upon heating, TiC x is seen to move into the bulk phase and the carbon concentration is increased. These changes occurring at higher temperatures are suggested as having an effect on the wear-resistant properties of titanium-implanted 304 stainless steel. (orig.)

  8. Surface characterization of IM7/5260 composites by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ohno, Satomi; Lee, Moon-Hwan; Lin, Kuen Y.; Ohuchi, Fumio S.

    2001-01-01

    Surfaces of high-performance carbon fiber/bismeleimide (BMI) composites (IM7/5260) have been characterized by x-ray photoelectron spectroscopy. An experimental technique to separately examine the chemical natures of the carbon fibers and BMI resin in the composite form was developed. This technique uses a flood gun to establish differential charging conditions on the BMI resin. The binding energies from the BMI resin were shifted by an amount of voltage applied to the flood gun, whereas those from the carbon fibers were uniquely determined due to their electrically conducting nature. By adding external bias voltage to the sample, the binding energies for conducting fibers were further shifted from those of the BMI resin, thereby separating the IM7 phase completely from the BMI phase in the binding energy scale, allowing independent measurement of the chemical changes associated with those peaks. Using this technique, the effects of thermal aging and surface plasma treatment on the IM7/5260 composite were studied

  9. The study of x-ray photo-electron spectroscopy of 99mTc-RBC

    International Nuclear Information System (INIS)

    Song Chunyi

    1994-01-01

    99m Tc-RBC are widely used as visualization agents for a blood pool. In this research 99m Tc-RBC was prepared by in vivo labeling. The chemical state and changes of 99m Tc atoms in 99m Tc-RBC was determined by x-ray photo-electron spectroscopy (XPS). The stability of 99m Tc-RBC is best shown by the determination of XPS at one hour or at two hours after labeling. There are two ways of coordination of bonding of RBC and 99m Tc: One is the coordination of 99m Tc with the oxygen atom which carries a negative charge of the carboxyl radical on the polypeptide bond, the other is the coordination of 99m Tc with a sulfur atom which caries the negative charge of cysteine. From the E b value of 99m Tc-RBC 99m Tc 3d5/2, it can be inferred that 99m Tc of 99m Tc-RBC is less than a trivalent. At the same time, the results of the determination by XPS with the compounds containing 99 TcO 4 - , 99 Tc(V), 99 Tc(IV) and 99 Tc(III) show that the chemical shift is lowered as the reduction state is lowered. Experimental results coincide with theoretical inferences

  10. Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

    Energy Technology Data Exchange (ETDEWEB)

    Kera, Satoshi, E-mail: kera@ims.ac.jp [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan); Ueno, Nobuo [Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan)

    2015-10-01

    Understanding of electron-phonon coupling as well as intermolecular interaction is required to discuss the mobility of charge carrier in functional molecular solids. This article summarizes recent progress in direct measurements of valence hole-vibration coupling in ultrathin films of organic semiconductors by using ultraviolet photoelectron spectroscopy (UPS). The experimental study of hole-vibration coupling of the highest occupied molecular orbital (HOMO) state in ordered monolayer film by UPS is essential to comprehend hole-hopping transport and small-polaron related transport in organic semiconductors. Only careful measurements can attain the high-resolution spectra and provide key parameters in hole-transport dynamics, namely the charge reorganization energy and small polaron binding energy. Analyses methods of the UPS HOMO fine feature and resulting charge reorganization energy and small polaron binding energy are described for pentacene and perfluoropentacene films. Difference between thin-film and gas-phase results is discussed by using newly measured high-quality gas-phase spectra of pentacene. Methodology for achieving high-resolution UPS measurements for molecular films is also described.

  11. The development of angle-resolved photoelectron spectroscopy; 1900-1960

    International Nuclear Information System (INIS)

    Jenkin, J.G.; La Trobe Univ., Bundoora

    1981-01-01

    Angle-resolved photoelectron spectroscopy (ARPES) is now a sophisticated and particularly powerful technique for studying the electronic structure of matter, in addition the photoelectric effect has been of great significance in the history of 20th-century physics. This article seeks to uncover the origins and chart the development of the ARPES field, and focusses on the first half of this century; that is, up to the beginnings of the modern phase in the late 1960's. It is suggested that present workers will find interest in, and indeed profit from a knowledge of, the enormous experimental effort that was made to acquire quality data, the frustrating attempts that were initially made to understand them theoretically, and the contribution of early wave-mechanics, which brought order to a troubled field and thereby provided the necessary foundation for current studies. In addition, it is noted that the physicists involved often obtained inspiration and important insights which led them into studies of other significant problems of 20th-century physics. (orig.)

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

    International Nuclear Information System (INIS)

    Wang, Lai-Sheng; Reutt-Robey, J.E.; Niu, B.; Lee, Y.T.; Shirley, D.A.

    1989-07-01

    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, As 2 , As 4 , and ZnCl 2 are shown to demonstrate the performance of the new source. 25 refs., 8 figs., 1 tab

  13. Anion Photoelectron Spectroscopy of the Homogenous 2-Hydroxypyridine Dimer Electron Induced Proton Transfer System

    Science.gov (United States)

    Vlk, Alexandra; Stokes, Sarah; Wang, Yi; Hicks, Zachary; Zhang, Xinxing; Blando, Nicolas; Frock, Andrew; Marquez, Sara; Bowen, Kit; Bowen Lab JHU Team

    Anion photoelectron spectroscopic (PES) and density functional theory (DFT) studies on the dimer anion of (2-hydroxypyridine)2-are reported. The experimentally measured vertical detachment energy (VDE) of 1.21eV compares well with the theoretically predicted values. The 2-hydroxypyridine anionic dimer system was investigated because of its resemblance to the nitrogenous heterocyclic pyrimidine nucleobases. Experimental and theoretical results show electron induced proton transfer (EIPT) in both the lactim and lactam homogeneous dimers. Upon electron attachment, the anion can serve as the intermediate between the two neutral dimers. A possible double proton transfer process can occur from the neutral (2-hydroxypyridine)2 to (2-pyridone)2 through the dimer anion. This potentially suggests an electron catalyzed double proton transfer mechanism of tautomerization. Research supported by the NSF Grant No. CHE-1360692.

  14. Understanding the Oxygen Evolution Reaction Mechanism on CoOx using Operando Ambient-Pressure X-ray Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Favaro, Marco; Yang, Jinhui; Nappini, Silvia; Magnano, Elena

    2017-01-01

    Photoelectrochemical water splitting is a promising approach for renewable production of hydrogen from solar energy and requires interfacing advanced water-splitting catalysts with semiconductors. Understanding the mechanism of function of such electrocatalysts at the atomic scale and under realistic working conditions is a challenging, yet important, task for advancing efficient and stable function. This is particularly true for the case of oxygen evolution catalysts and, here, we study a highly active Co 3 O 4 /Co(OH) 2 biphasic electrocatalyst on Si by means of operando ambient-pressure X-ray photoelectron spectroscopy performed at the solid/liquid electrified interface. Spectral simulation and multiplet fitting reveal that the catalyst undergoes chemical-structural transformations as a function of the applied anodic potential, with complete conversion of the Co(OH) 2 and partial conversion of the spinel Co 3 O 4 phases to CoO(OH) under precatalytic electrochemical conditions. Furthermore, we observe new spectral features in both Co 2p and O 1s core-level regions to emerge under oxygen evolution reaction conditions on CoO(OH). The operando photoelectron spectra support assignment of these newly observed features to highly active Co 4+ centers under catalytic conditions. Comparison of these results to those from a pure phase spinel Co 3 O 4 catalyst supports this interpretation and reveals that the presence of Co(OH) 2 enhances catalytic activity by promoting transformations to CoO(OH). The direct investigation of electrified interfaces presented in this work can be extended to different materials under realistic catalytic conditions, thereby providing a powerful tool for mechanism discovery and an enabling capability for catalyst design.

  15. Summary: Update to ASTM guide E 1523 to charge control and charge referencing techniques in x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Baer, D.R.

    2005-01-01

    An updated version of the American Society for Testing and Materials (ASTM) guide E 1523 to the methods to charge control and charge referencing techniques in x-ray photoelectron spectroscopy has been released by ASTM [Annual Book of ASTM Standards Surface Analysis (American Society for Testing and Materials, West Conshohocken, PA, 2004), Vol. 03.06]. The guide is meant to acquaint x-ray photoelectron spectroscopy (XPS) users with the various charge control and charge referencing techniques that are and have been used in the acquisition and interpretation of XPS data from surfaces of insulating specimens. The current guide has been expanded to include new references as well as recommendations for reporting information on charge control and charge referencing. The previous version of the document had been published in 1997 [D. R. Baer and K. D. Bomben, J. Vac. Sci. Technol. A 16, 754 (1998)

  16. Combined angle-resolved X-ray photoelectron spectroscopy, density functional theory and kinetic study of nitridation of gallium arsenide

    Science.gov (United States)

    Mehdi, H.; Monier, G.; Hoggan, P. E.; Bideux, L.; Robert-Goumet, C.; Dubrovskii, V. G.

    2018-01-01

    The high density of interface and surface states that cause the strong Fermi pinning observed on GaAs surfaces can be reduced by depositing GaN ultra-thin films on GaAs. To further improve this passivation, it is necessary to investigate the nitridation phenomena by identifying the distinct steps occurring during the process and to understand and quantify the growth kinetics of GaAs nitridation under different conditions. Nitridation of the cleaned GaAs substrate was performed using N2 plasma source. Two approaches have been combined. Firstly, an AR-XPS (Angle Resolved X-ray Photoelectron Spectroscopy) study is carried out to determine the chemical environments of the Ga, As and N atoms and the composition depth profile of the GaN thin film which allow us to summarize the nitridation process in three steps. Moreover, the temperature and time treatment have been investigated and show a significant impact on the formation of the GaN layer. The second approach is a refined growth kinetic model which better describes the GaN growth as a function of the nitridation time. This model clarifies the exchange mechanism of arsenic with nitrogen atoms at the GaN/GaAs interface and the phenomenon of quasi-saturation of the process observed experimentally.

  17. 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.

  18. X‐ray Photoelectron Spectroscopy of Pyridinium‐Based Ionic Liquids: Comparison to Imidazolium‐ and Pyrrolidinium‐Based Analogues

    Science.gov (United States)

    Mitchell, Daniel S.; Lovelock, Kevin R. J.

    2015-01-01

    Abstract We investigate eight 1‐alkylpyridinium‐based ionic liquids of the form [CnPy][A] by using X‐ray photoelectron spectroscopy (XPS). The electronic environment of each element of the ionic liquids is analyzed. In particular, a reliable fitting model is developed for the C 1s region that applies to each of the ionic liquids. This model allows the accurate charge correction of binding energies and the determination of reliable and reproducible binding energies for each ionic liquid. Shake‐up/off phenomena are determinedfor both C 1s and N 1s spectra. The electronic interaction between cations and anions is investigated for both simple ionic liquids and an example of an ionic‐liquid mixture; the effect of the anion on the electronic environment of the cation is also explored. Throughout the study, a detailed comparison is made between [C8Py][A] and analogues including 1‐octyl‐1‐methylpyrrolidinium‐ ([C8C1Pyrr][A]), and 1‐octyl‐3‐methylimidazolium‐ ([C8C1Im][A]) based samples, where X is common to all ionic liquids. PMID:25952131

  19. Oxidation Half-Reaction of Aqueous Nucleosides and Nucleotides via Photoelectron Spectroscopy Augmented by ab Initio Calculations

    Czech Academy of Sciences Publication Activity Database

    Schroeder, C. A.; Pluhařová, Eva; Seidel, R.; Schroeder, W. P.; Faubel, M.; Slavíček, P.; Winter, B.; Jungwirth, Pavel; Bradforth, S. E.

    2015-01-01

    Roč. 137, č. 1 (2015), s. 201-209 ISSN 0002-7863 R&D Projects: GA ČR GBP208/12/G016 Grant - others:GA ČR(CZ) GA13-34168S Institutional support: RVO:61388963 Keywords : DNA damage * photoelectron spectroscopy * DNA charge migration Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.038, year: 2015 http://pubs.acs.org/doi/10.1021/ja508149e

  20. X-ray magnetic circular dichroism and hard X-ray photoelectron spectroscopy of tetragonal Mn72Ge28 epitaxial thin film

    Science.gov (United States)

    Kim, Jinhyeok; Mizuguchi, Masaki; Inami, Nobuhito; Ueno, Tetsuro; Ueda, Shigenori; Takanashi, Koki

    2018-04-01

    An epitaxially grown Mn72Ge28 film with a tetragonal crystal structure was fabricated. It was clarified that the film had a perpendicular magnetization and a high perpendicular magnetic anisotropy energy of 14.3 Merg/cm3. The electronic structure was investigated by X-ray magnetic circular dichroism and hard X-ray photoelectron spectroscopy. The obtained X-ray magnetic circular dichroism spectrum revealed that the Mn orbital magnetic moment governed the magnetocrystalline anisotropy of the Mn72Ge28 film. A doublet structure was observed for the Mn 2p3/2 peak of hard X-ray photoelectron spectrum, indicating the spin exchange interaction between the 2p core-hole and 3d valence electrons.

  1. Module to guide the expert use of x-ray photoelectron spectroscopy by corrosion scientists

    International Nuclear Information System (INIS)

    Castle, J. E.

    2007-01-01

    This contribution, to the potential development of data systems having some degree of 'expert' character for use in x-ray photoelectron spectroscopy (XPS), illustrates the manner in which models of 'Rules' might be developed by the user community. The field of corrosion science is taken as an example of one community of researchers who make regular use of XPS for well defined needs. These 'needs' are redefined as a series of Goals that have to be reached in order to characterize the surface in terms of layer sequences and the enrichment of given elements within them. Rules are written to allow a structured approach to achieve each Goal. A feature of this set of Rules is that they are designed expressly to allow automated interpretation of the survey scan. This approach is facilitated by the use of a recommendation that the survey spectrum be acquired as a series of accumulated scans instead of the usual approach of making a single scan through the spectrum. Repeat scans enable the information extracted by the operation of the Rules to be processed and displayed for information during the period that is normally used for the survey scan. It is intended that this information will inform the setting up of any subsequent high resolution scans and their interactive interpretation. It will also inform any future operations such as ion etching or angle-resolved measurements. In some cases, the information made available may be all that is required by the user and in this case the 'expert module' approach becomes particularly cost effective. The operation of the rules is illustrated throughout by an examination of data obtained for passivated stainless steel, giving a data set of measurements, typical of those made by corrosion scientists, that can be compared with the literature values obtained by more conventional XPS interpretation

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

    Science.gov (United States)

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

    2014-03-11

    Broken-symmetry density functional theory (BS-DFT) calculations are assessed for redox energetics [Cu(SCH 3 ) 2 ] 1-/0 , [Cu(NCS) 2 ] 1-/0 , [FeCl 4 ] 1-/0 , and [Fe(SCH 3 ) 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- ω PBEh 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.

  3. 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

    2015-01-08

    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.

  4. An analytical investigation: Effect of solar wind on lunar photoelectron sheath

    Science.gov (United States)

    Mishra, S. K.; Misra, Shikha

    2018-02-01

    The formation of a photoelectron sheath over the lunar surface and subsequent dust levitation, under the influence of solar wind plasma and continuous solar radiation, has been analytically investigated. The photoelectron sheath characteristics have been evaluated using the Poisson equation configured with population density contributions from half Fermi-Dirac distribution of the photoemitted electrons and simplified Maxwellian statistics of solar wind plasma; as a consequence, altitude profiles for electric potential, electric field, and population density within the photoelectron sheath have been derived. The expression for the accretion rate of sheath electrons over the levitated spherical particles using anisotropic photoelectron flux has been derived, which has been further utilized to characterize the charging of levitating fine particles in the lunar sheath along with other constituent photoemission and solar wind fluxes. This estimate of particle charge has been further manifested with lunar sheath characteristics to evaluate the altitude profile of the particle size exhibiting levitation. The inclusion of solar wind flux into analysis is noticed to reduce the sheath span and altitude of the particle levitation; the dependence of the sheath structure and particle levitation on the solar wind plasma parameters has been discussed and graphically presented.

  5. The growth of manganese layers on Si(1 0 0) at room temperature: A photoelectron spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Nolph, C.A. [University of Virgina, Department of Materials Science and Engineering, 395 McCormick Road, Charlottesville, VA 22904 (United States); Vescovo, E. [National Synchrotron Light Source, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States); Reinke, P., E-mail: pr6e@virginia.edu [University of Virgina, Department of Materials Science and Engineering, 395 McCormick Road, Charlottesville, VA 22904 (United States)

    2009-06-15

    The combination of spin-and charge based electronics in future devices requires the magnetic doping of group IV semiconductors, and the formation of ferromagnetic contacts. The doping of Mn with Si is one of the material systems which is discussed in this context. The present study focuses on the growth of Mn on a Si(100)(2x1) surface, and the evolution of the surface was observed as a function of Mn coverage with synchrotron-based photoelectron spectroscopy. The reaction of Mn with the Si(100) surface at room temperature leads the formation of silicide at the boundary between the Si substrate and the Mn-overlayer, presumably with MnSi stoichiometry. The residual sub-oxide reacts with the Mn and therefore incorporates a few percent of Mn-O-Si at the interface. The analysis of the sub-oxide composition indicates that the Si{sup +1} component is the most reactive oxidation state. The overlayer is dominated by Mn, either as Mn-metal or as a Mn-rich silicide phase, and the metallic layer introduces a band bending in Si. As a consequence of our observations, including information from a recent STM study, the formation of ferromagnetic contacts which require ideally a flat and compositionally homogenous overlayer, cannot be achieved through room temperature deposition of Mn on the Si(100) (2x1) surface. The influence of residual oxides and surface defects on the growth process will be further investigated.

  6. An XPS [x-ray photoelectron spectroscopy] study of the sulfidation-regeneration cycle of a hydroprocessing catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Shang, D.Y.; Adnot, A.; Kaliaguine, S. (Laval Univ., Ste-Foy, PQ (Canada)); Chmielowiec, J. (Petro Canada Products Co., Mississauga, ON (Canada))

    1993-10-01

    The formation of sulfates in an industrial Ni-W hydroprocessing (HP) catalyst was investigated by x-ray photoelectron spectroscopy (XPS). A small fluidized bed test unit with on-line sampling device was constructed to simulate industrial sulfidation and oxyregeneration processes of HP catalysts. The results obtained show that the sulfates observed on the surface of sulfided catalysts are not formed during the sulfidation process. Two oxidation processes seem to be responsible for the formation of sulfates: one happens when the catalyst is exposed to air before it is properly cooled and the other is a slow conversion at ambient temperature. The two different processes might be associated to different sulfidic species formed during the sulfidation processes, with the sulfides in the bulk of catalyst particles being more easily oxidized than the ones on the external surface of the catalyst particles. The sulfate formed during the air oxidation of sulfided catalysts, as well as that after oxyregeneration, is not aluminum sulfate but nickel sulfate in both cases. XPS results also indicate that oxygenates in the feedstock are not directly involved in the sulfate formation. 18 refs., 9 figs., 6 tabs.

  7. Unravelling the Role of an Aqueous Environment on the Electronic Structure and Ionization of Phenol Using Photoelectron Spectroscopy.

    Science.gov (United States)

    Riley, Jamie W; Wang, Bingxing; Woodhouse, Joanne L; Assmann, Mariana; Worth, Graham A; Fielding, Helen H

    2018-02-15

    Water is the predominant medium for chemistry and biology, yet its role in determining how molecules respond to ultraviolet light is not well understood at the molecular level. Here, we combine gas-phase and liquid-microjet photoelectron spectroscopy to investigate how an aqueous environment influences the electronic structure and relaxation dynamics of phenol, a ubiquitous motif in many biologically relevant chromophores. The vertical ionization energies of electronically excited states are important quantities that govern the rates of charge-transfer reactions, and, in phenol, the vertical ionization energy of the first electronically excited state is found to be lowered by around 0.8 eV in aqueous solution. The initial relaxation dynamics following photoexcitation with ultraviolet light appear to be remarkably similar in the gas-phase and aqueous solution; however, in aqueous solution, we find evidence to suggest that solvated electrons are formed on an ultrafast time scale following photoexcitation just above the conical intersection between the first two excited electronic states.

  8. 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.

  9. In situ chemical state analysis of buried polymer/metal adhesive interface by hard X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ozawa, Kenichi; Kakubo, Takashi; Shimizu, Katsunori; Amino, Naoya; Mase, Kazuhiko; Ikenaga, Eiji; Nakamura, Tetsuya; Kinoshita, Toyohiko; Oji, Hiroshi

    2014-01-01

    Highlights: • Chemical state analysis of the buried rubber/brass interface is conducted by HAXPES. • Ultrathin rubber films are prepared on the brass surface by two methods. • A high density of Cu 2 S is found on the rubber side of the buried adhesive layer. • The chemical states of the buried and exposed interfaces are compared. - Abstract: Chemical state analysis of adhesive interfaces is important to understand an adhesion mechanism between two different materials. Although photoelectron spectroscopy (PES) is an ideal tool for such an analysis, the adhesive interfaces must be exposed to the surface because PES is essentially a surface sensitive technique. However, an in situ observation is possible by hard X-ray PES (HAXPES) owing to its large probing depth. In the present study, HAXPES is applied to investigate the adhesive interface between rubber and brass without exposing the interface. It is demonstrated that copper sulfides formed at the buried rubber/brass interface are distinguished from S-containing species in the rubber overlayer. The chemical state of the buried interface is compared with that of the “exposed” interface prepared by so-called a filter-paper method

  10. X-Ray photoelectron spectroscopy and diffractometry of MnOx catalysts: surface to bulk composition relationships

    International Nuclear Information System (INIS)

    Zaki, M.I.; Kappenstein, C.

    1992-01-01

    Surface and bulk analyses of variously-composed, synthetic MnO x catalysts were carried out by means of X-ray photoelectron spectroscopy (XPS) and diffractometry (XRD), respectively. The data obtained were processed for a comprehensive assessment of bulk and surface compositions, surface oxidation state, and crystalline size. The XPS data processing revealed that a credible assessment of the surface composition (MnO x (OH) y (OH 2 ) z necessitates: (i) the implementation of experimental sensitivity factors determined on a local reference surface maintaining a close chemical similarity to the test materials, and (ii) the fine evaluation of contributions of various oxygen-containing surface species to the O 1s electron emission. The most prominent result of the present investigation is that the exposure of the bulk composition at the surface is quite proportioned. Such a surface to bulk intimacy is thought to enable genesizing the surface composition appropriate for certain catalytic and selectivity, via a possible control over the bulk formation events. (orig.)

  11. X-ray photoelectron spectroscopy study of Schottky barrier formation and thermal stability of the LaB6/GaAs(001) c (4 x 4) interface

    International Nuclear Information System (INIS)

    Yokotsuka, T.; Narusawa, T.; Uchida, Y.; Nakashima, H.

    1987-01-01

    Schottky barrier formation and thermal stability of the LaB 6 /GaAs(001) c (4 x 4) interface were investigated by x-ray photoelectron spectroscopy. Results show an excellent thermal stability without any appreciable interface reactions such as interdiffusion. Band bending induced by LaB 6 deposition is found to depend on the evaporation condition. However, the Fermi level pinning position does not change due to heat treatments between 300 and 700 0 C. This indicates that LaB 6 is a promising gate material for GaAs integrated circuits

  12. Distortion dependent intersystem crossing: A femtosecond time-resolved photoelectron spectroscopy study of benzene, toluene, and p-xylene

    Directory of Open Access Journals (Sweden)

    Anne B. Stephansen

    2017-07-01

    Full Text Available The competition between ultrafast intersystem crossing and internal conversion in benzene, toluene, and p-xylene is investigated with time-resolved photoelectron spectroscopy and quantum chemical calculations. By exciting to S2 out-of-plane symmetry breaking, distortions are activated at early times whereupon spin-forbidden intersystem crossing becomes (partly allowed. Natural bond orbital analysis suggests that the pinnacle carbon atoms distorting from the aromatic plane change hybridization between the planar Franck-Condon geometry and the deformed (boat-shaped S2 equilibrium geometry. The effect is observed to increase in the presence of methyl-groups on the pinnacle carbon-atoms, where largest extents of σ and π orbital-mixing are observed. This is fully consistent with the time-resolved spectroscopy data: Toluene and p-xylene show evidence for ultrafast triplet formation competing with internal conversion, while benzene appears to only decay via internal conversion within the singlet manifold. For toluene and p-xylene, internal conversion to S1 and intersystem crossing to T3 occur within the time-resolution of our instrument. The receiver triplet state (T3 is found to undergo internal conversion in the triplet manifold within ≈100–150 fs (toluene or ≈180–200 fs (p-xylene as demonstrated by matching rise and decay components of upper and lower triplet states. Overall, the effect of methylation is found to both increase the intersystem crossing probability and direct the molecular axis of the excited state dynamics.

  13. Angle-resolved photoelectron spectroscopy of the chloro-substituted methanes

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Grimm, F. A.

    1983-09-01

    The angular distribution parameter, β, was determined for the valence orbitals (IP ' 21.2 eV) of CCl 4, CHCl 3, CH 2Cl 2, and CH 3Cl in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β in the photoelectron energy range of 2 to 10 eV for the non-bonding chlorine n(Cl) orbitals of these molecules was found to be similar for all n(Cl) orbitals investigated. The energy dependence of β for the σ orbitals in these molecules was similar to that observed previously for other σ orbitals. The experimental CCl 4 results were compared with theoretical CCl 4 results obtained using the Xα multiple scattering formalism. Theory predicts the existence of two strong shape resonances in each of the valence orbitals of CCl 4. The overall agreement between experiment and theory is evaluated along with the experimental evidence concerning the verification of the predicted shape resonances.

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

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dan, E-mail: dany@sit.edu.cn [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Jia, Shaojie [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Fodjo, Essy Kouadio [Laboratory of Physical Chemistry, University Felix Houphouet Boigny, 22 BP 582, Abidjan 22, Cote d’Ivoire (Cote d' Ivoire); Xu, Hu [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Wang, Yuhong, E-mail: yuhong_wang502@sit.edu.cn [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China); Deng, Wei [School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (China)

    2016-03-30

    Graphical abstract: The orientation of anthraquinone-2-carboxylic acid (AQ-2-COOH) has been investigated by in situ surface-enhanced Raman scattering (in situ SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS) on silver surface. - Highlights: • The adsorption behavior of anthraquinone-2-carboxylic acid (AQ-2-COOH) on Ag electrode is influenced by the pH. • The pH-dependant adsorption of AQ-2-COOH has been confirmed by in situ surface-enhanced Raman scattering (in situ SERS) spectroelectrochemistry and angle-resolved X-ray photoelectron spectroscopy (AR-XPS). • The results can provide insights into electron transfer reactions of AQ-2-COOH in biological systems. - Abstract: 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.

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

    Science.gov (United States)

    Fujimori, Shin-ichi

    2016-04-20

    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 eV) or high-energy synchrotron radiations (hν >/~ 400 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 CeMIn5(M = Rh, Ir, and Co) and YbRh2Si2 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 U5f compounds such as UFeGa5, their electronic structures can be well-described by the band-structure calculation assuming that all U5f electrons are itinerant. In contrast, the band structures of localized U5f compounds such as UPd3 and UO2 are essentially explained by the localized model that treats U5f electrons as localized core states. In regards to heavy fermion U-based compounds such as the hidden-order compound URu2Si2, their electronic structures exhibit complex behaviors. Their overall band structures are generally well-explained by the band-structure calculation, whereas the states in the vicinity of EF show some deviations due to electron correlation effects. Furthermore, the electronic structures of URu2Si2 in the paramagnetic and hidden-order phases are

  16. X-ray photoelectron spectroscopy of high-temperature superconductor clean surfaces and interfaces

    International Nuclear Information System (INIS)

    Hill, D.M.

    1989-01-01

    X-ray photoelectron spectroscopy was used to determine the characteristic spectra for the high temperature superconductors La 1.85 Sr 0.15 CuO 4 , YBa 2 Cu 3 O 7-x , and Bi 2 Sr 2-x Ca 1+x Cu 2 O 8+y and their impurity phases. The oxidation state of Cu in all of these materials was predominantly Cu 2+ . The O 1s emission for clean surfaces was a single broad peak near 529 eV derived from emission from inequivalent O sites in the superconductors. The valence bands were a -6 eV wide manifold of Cu 3d-O 2p hybrid bands in the ∼ 1-7 eV binding energy range, with very low emission at E F arising from antibonding Cu 3d-O 2p orbitals. Emission from grain boundary and other impurity phases appeared at 531 eV for the O 1s core level, and in general ∼ 1-2 eV higher energy than the superconductor peak for other core levels except for Cu 2p. Impurity phases appeared in the valence bands as a shoulder at ∼ 5 eV. The amount of impurities detected was shown to be dependent on the fracture properties of the superconductors. All of the materials were shown to be stable under vacuum. The products and spatial extent of chemical reactions with Ag, Al, Al oxide, Au, Bi, Bi oxide, CaF 2 , Cu, Fe, Si, and Si oxide overlayers on these materials also were examined. Au, CaF 2 , and metal oxides deposited by activated oxidation during evaporation were non-reactive and non-disruptive of the superconductor surfaces. Ag overlayers were unique in that they disrupted the superconductor during deposition, but exhibited no evidence of any chemical reactions. Overlayers with an affinity for oxygen withdrew O from the superconductor. The O loss occurred preferentially from Cu atoms in the superconductor and disrupted the planar bonding structure

  17. 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.

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

    International Nuclear Information System (INIS)

    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 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 3+ 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

  19. Adsorption of thiophene on a Si(0 0 1)-2 x 1 surface studied by photoelectron spectroscopy and diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Shimomura, M. [Research Institute of Electronics, Shizuoka University, Johoku, Hamamatsu 432-8011 (Japan)]. E-mail: romshimo@rie.shizuoka.ac.jp; Ikejima, Y. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Yajima, K. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Yagi, T. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Goto, T. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Gunnella, R. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); UdR INFM, Department of Physics, University of Camerino, Camerino 62032 (Italy); Abukawa, T. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Fukuda, Y. [Research Institute of Electronics, Shizuoka University, Johoku, Hamamatsu 432-8011 (Japan); Kono, S. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2004-10-15

    Chemisorption of thiophene on a Si(0 0 1) surface has been studied by synchrotron radiation induced photoelectron spectroscopy (SRPES). Two adsorption-related components in Si 2p and S 2p spectra are observed after exposure of thiophene. It is suggested that the two components of Si 2p are ascribed to silicon bonded to hydrocarbon and sulfur. The core-level shift resolved photoelectron diffraction (PED) result indicates that the low-kinetic-energy component of S 2p can be ascribed to 2,5-dihydrothiophehe (DHT)-like species. Another S 2p component could be assigned to dissociated sulfur based on the results of PED and time evolution of the spectrum under irradiation. These assignments are consistent with the core-level shift of S 2p.

  20. Adsorption of thiophene on a Si(0 0 1)-2 x 1 surface studied by photoelectron spectroscopy and diffraction

    International Nuclear Information System (INIS)

    Shimomura, M.; Ikejima, Y.; Yajima, K.; Yagi, T.; Goto, T.; Gunnella, R.; Abukawa, T.; Fukuda, Y.; Kono, S.

    2004-01-01

    Chemisorption of thiophene on a Si(0 0 1) surface has been studied by synchrotron radiation induced photoelectron spectroscopy (SRPES). Two adsorption-related components in Si 2p and S 2p spectra are observed after exposure of thiophene. It is suggested that the two components of Si 2p are ascribed to silicon bonded to hydrocarbon and sulfur. The core-level shift resolved photoelectron diffraction (PED) result indicates that the low-kinetic-energy component of S 2p can be ascribed to 2,5-dihydrothiophehe (DHT)-like species. Another S 2p component could be assigned to dissociated sulfur based on the results of PED and time evolution of the spectrum under irradiation. These assignments are consistent with the core-level shift of S 2p

  1. Structure determination of a multilayer with an island-like overlayer using hard x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Isomura, N., E-mail: isomura@mosk.tytlabs.co.jp; Kataoka, K.; Horibuchi, K.; Dohmae, K.; Kitazumi, K.; Takahashi, N.; Kimoto, Y. [Toyota Central R& D Laboratories, Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan); Oji, H.; Cui, Y.-T.; Son, J.-Y. [Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

    2016-07-27

    We use hard X-ray photoelectron spectroscopy (HAXPES) to obtain the surface structure of a multilayer Au/SiO{sub 2}/Si substrate sample with an island-like overlayer. Photoelectron intensities are measured as a function of incident photon energy (PE) and take-off angle (TOA, measured from the sample surface). The Au layer coverage and Au and SiO{sub 2} layer thicknesses are obtained by the PE dependence, and are used for the following TOA analysis. The Au island lateral width in the cross section is obtained by the TOA dependence, including information about surface roughness, in consideration of the island shadowing at small TOAs. In both cases, curve-fitting analysis is conducted. The surface structure, which consists of layer thicknesses, overlayer coverage and island width, is determined nondestructively by a combination of PE and TOA dependent HAXPES measurements.

  2. 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.

  3. Transient photoelectron spectroscopy of the dissociative Br2(1Piu) state.

    Science.gov (United States)

    Strasser, Daniel; Goulay, Fabien; Leone, Stephen R

    2007-11-14

    Photodissociation of bromine on the Br2(1Piu) state is probed with ultrafast extreme ultraviolet (53.7 nm) single-photon ionization. Time-resolved photoelectron spectra show simultaneously the depletion of ground state bromine molecules as well as the rise of Br(2P3/2) products due to 402.5 nm photolysis. A partial photoionization cross-section ratio of atomic versus molecular bromine is obtained. Transient photoelectron spectra of a dissociative wave packet on the excited state are presented in the limit of low-power-density, single-photon excitation to the dissociative state. Transient binding energy shifts of "atomic-like" photoelectron peaks are observed and interpreted as photoionization of nearly separated Br atom pairs on the Br2(1Piu) state to repulsive dissociative ionization states.

  4. Stereo photograph of atomic arrangement by circularly-polarized-light two-dimensional photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Daimon, Hiroshi

    2003-01-01

    A stereo photograph of atomic arrangement was obtained for the first time. The stereo photograph was displayed directly on the screen of display-type spherical-mirror analyzer without any computer-aided conversion process. This stereo photography was realized taking advantage of the phenomenon of circular dichroism in photoelectron angular distribution due to the reversal of orbital angular momentum of photoelectrons. The azimuthal shifts of forward focusing peaks in a photoelectron angular distribution pattern taken with left and right helicity light in a special arrangement are the same as the parallaxes in a stereo view of atoms. Hence a stereoscopic recognition of three-dimensional atomic arrangement is possible, when the left eye and the right eye respectively view the two images obtained by left and right helicity light simultaneously. (author)

  5. 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.)

  6. Photoelectron-spectroscopic and reactivity investigation of thin Pd-Sn films prepared by magnetron sputtering

    International Nuclear Information System (INIS)

    Skala, T.; Veltruska, K.; Sedlacek, L.; Masek, K.; Matolinova, I.; Matolin, V.

    2007-01-01

    We have studied Pd-Sn layers with different composition prepared by magnetron sputtering. Layers were sputtered onto Al 2 O 3 and SiO 2 substrates and studied by X-ray photoelectron spectroscopy (XPS). Spectra confirmed that after vacuum annealing residual oxygen and carbon have been removed and bimetallic bonds have been created. The shift of Pd 3d 5/2 core level to higher binding energy followed by the peak narrowing in dependence on the composition was observed, accompanied by the shift of the Pd 4d in the valence band region, induced by hybridization of Pd-d and Sn-s,p states. Experiments carried out on a gas-flow reactor indicate increasing temperature of the CO oxidation with tin ratio in the alloy

  7. Interface electronic properties of co-evaporated MAPbI{sub 3} on ZnO(0001): In situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xianzhong; Li, Xiaoli; Huang, Feng; Zhong, Dingyong, E-mail: dyzhong@mail.sysu.edu.cn [School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, 510275 Guangzhou (China); Liu, Yuan [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, 350002 Fuzhou (China); University of the Chinese Academy of Sciences, 100049 Beijing (China)

    2016-03-21

    In this work, the interface electronic properties of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} were investigated by both X-ray and ultraviolet photoelectron spectroscopy. The CH{sub 3}NH{sub 3}PbI{sub 3} thin films were grown on single crystalline ZnO(0001) substrate in situ by co-evaporation of PbI{sub 2} and CH{sub 3}NH{sub 3}I at room temperature with various thickness from 1.5 nm to 190 nm. It was found that the conduction band minimum of ZnO lies 0.3 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, while the valence band maximum of ZnO lies 2.1 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, implying that the electrons can be effectively transported from CH{sub 3}NH{sub 3}PbI{sub 3} to ZnO, and the holes can be blocked in the same time. A PbI{sub 2} rich layer was initially formed at the interface of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} during the growth. As a consequence, an interface barrier was built up which may prevent the electron transport at the interface.

  8. The origin of narrowing of the Si 2p coincidence photoelectron spectroscopy main line of Si(1 0 0) surface

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2011-01-01

    Highlights: → The Si 2p coincidence photoelectron spectroscopy (PES) main line of Si(1 0 0) is calculated. → The PES main line shows an asymmetric line shape change compared to the singles one. → The narrowing of the coincidence Si 2p PES main line is well reproduced. → The inherent mechanism of APECS is explained by a many-body theory. - Abstract: The Si 2p photoelectron spectroscopy (PES) main line of Si(1 0 0) surface measured in coincidence with the singles (noncoincidence) Si L 2,3 -VV Auger-electron spectroscopy (AES) elastic peak is calculated. The agreement with the experiment is good. The present work is the first many-body calculation of the experimental coincidence PES spectrum of solid surface. The narrowing of the coincidence Si 2p PES main line compared to the singles one is due to the mechanism inherent in the coincidence PES. The inherent mechanism is explained by a many-body theory by which photoemission and Auger-electron emission are treated on the same footing.

  9. Valence band offset of wurtzite InN/SrTiO3 heterojunction measured by x-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    Li Zhiwei

    2011-01-01

    Full Text Available Abstract The valence band offset (VBO of wurtzite indium nitride/strontium titanate (InN/SrTiO3 heterojunction has been directly measured by x-ray photoelectron spectroscopy. The VBO is determined to be 1.26 ± 0.23 eV and the conduction band offset is deduced to be 1.30 ± 0.23 eV, indicating the heterojunction has a type-I band alignment. The accurate determination of the valence and conduction band offsets paves a way to the applications of integrating InN with the functional oxide SrTiO3.

  10. X-ray photoelectron spectroscopy and paramagnetic resonance evidence for shock-induced intramolecular bond breaking in some energetic solids

    Science.gov (United States)

    Owens, F. J.; Sharma, J.

    1980-03-01

    Solid samples of 1,3,5, trinitro 1,3,5, triazacyclohexane (RDX), trinitrotoluene (TNT), and ammonium nitrate were subjected to shock pulses of strength and duration less than the threshold to cause detonation. The recovered shocked samples were studied by x-ray photoelectron spectroscopy (XPS) and electron paramagnetic resonance (EPR). The results of these measurements indicate that the shock pulse either broke or altered the internal bonds of the molecules of the solid. The results of the shock decomposition are compared with measurements of the uv and slow thermal decomposition of these materials using the same experimental techniques.

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

    International Nuclear Information System (INIS)

    Simone, Monica de; Snidero, Elena; Coreno, Marcello; Bongiorno, Gero; Giorgetti, Luca; Amati, Matteo; Cepek, Cinzia

    2012-01-01

    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 3+ is the first oxidation state observed, followed by Ti 4+ , whereas Ti 2+ is practically absent during the whole process. Our results compare well with the existing literature on Ti films produced using other techniques.

  12. Study of strontium- and magnesium-doped lanthanum gallate solid electrolyte surface by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Datta, Pradyot; Majewski, Peter; Aldinger, Fritz

    2008-01-01

    The chemical states of the surface of the oxygen ion conducting solid electrolyte La 0.9 Sr 0.1 Ga 0.85 Mg 0.15 O 3-δ (LSGM 1015) as prepared by solid-state synthesis was analyzed by X-ray photoelectron spectroscopy. It was found that adventitious carbon did not interact with any of the constituent elements of LSGM 1015. Ga and La were found to exist in trivalent states. But, due to ionic bombardment presence of Mg could not be detected in the electrolyte surface

  13. Ultrahigh-vacuum in situ electrochemistry with solid polymer electrolyte and x-ray photoelectron spectroscopy studies of polypyrrole

    International Nuclear Information System (INIS)

    Skotheim, T.A.; Florit, M.I.; Melo, A.; O'Grady, W.E.

    1984-01-01

    A new in situ combined electrochemistry and x-ray-photoelectron-spectroscopy (XPS) technique using solid polymer electrolytes has been used to characterize electrically conducting films of polypyrrole perchlorate. The technique allows in situ electrochemical oxidation and reduction (doping and undoping) in ultrahigh vacuum and the simultaneous study of the polymer with XPS as a function of its electrochemical potential. We demonstrate that some anion species interact strongly electrostatically with the nitrogen heteroatoms. We also show conclusively that the electrochemistry of polypyrrole is highly irreversible

  14. Measurement of ZnO/Al2O3 Heterojunction Band Offsets by in situ X-Ray Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Lei Hong-Wen; Zhang Hong; Wang Xue-Min; Zhao Yan; Yan Da-Wei; Jiang Zhong-Qian; Yao Gang; Zeng Ti-Xian; Wu Wei-Dong

    2013-01-01

    ZnO films are grown on c-sapphire substrates by laser molecular beam epitaxy. The band offsets of the ZnO/Al 2 O 3 heterojunction are studied by in situ x-ray photoelectron spectroscopy. The valence band of Al 2 O 3 is found to be 3.59±0.05eV below that of ZnO. Together with the resulting conduction band offset of 2.04±0.05eV, this indicates that a type-I staggered band line exists at the ZnO/Al 2 O 3 heterojunction

  15. The Chemical States of Color-Induced Cations in Tourmaline Characterized by X-Ray Photoelectron Spectroscopy

    Directory of Open Access Journals (Sweden)

    Ming Li

    2018-01-01

    Full Text Available In order to better understand the effect of transition metal cations on color of tourmaline, X-ray photoelectron spectroscopy was used to investigate the species, chemical state, site occupancy, and chemical environment of color-induced metal cations in colorful tourmaline samples from Minas Gerais State, Brazil. Our results showed that the colorful tourmalines usually contained a small amount of transition metal elements, and a colorful tourmaline sample had several transition metal cations; however, the color of tourmaline resulted from the transition metal cations in the Y site of the crystal structure. The pink color of tourmaline was associated with Mn2+ in the Y site coordinating with F; the yellow color was derived from Ni2+ in the Y site binding to O; the green color was associated with Fe3+ in the Y site coordinating with O, OH, and F; the rose red color originated from Mn2+ and Ni2+ in the Y site in which Mn2+ coordinated with O and F, and Ni2+ coordinated with O; and the blue color was derived from Fe3+ and Mn2+ in the Y site in which Fe3+ binded to O, OH, and F and Mn2+ binded to F. Additionally, other transition metal cations were also observed in colorful tourmalines, but all these species occupied the Z site of the structure. In the pink and yellow samples, Fe and Cr were observed in Fe3+ and Cr3+; in the rose red sample, Fe was also found in Fe3+; in the blue sample, Cr was present in Cr3+; in the green sample, Mn, Ni, and Cu were found in Mn2+, Ni2+, and Cu2+, respectively. The color of tourmaline was induced from the absorption of the d-d transition of transition metals in the crystal structure, as charge transfer tended to occur between cations occupying different coordination positions.

  16. X-ray photoelectron spectroscopy and electrochemical studies of mild steel FeE500 passivation in concrete simulated water

    Science.gov (United States)

    Miserque, F.; Huet, B.; Azou, G.; Bendjaballah, D.; L'Hostis, V.

    2006-11-01

    In the context of the prediction of the long-term behaviour of reinforced concrete structures involved in the nuclear waste storage, the corrosion mechanisms of steels have to be assessed. When mild steel rebars are embedded in concrete, the chemical environment of the reinforcement is progressively modified, due to the carbonation of the concrete matrix. This modification leads to the variation of iron oxides properties formed at the steel/concrete interface, and the active corrosion can be initiated. The aim of this study is to evaluate the passivation behaviour and to provide insights into the depassivation of mild steel in concrete pore solution. In a young concrete, due to the alkalinity of the interstitial solution, steel reinforcement remains passive. Immersion tests of mild steel substrate in various alkaline solutions (from pH 13 to 10) have been performed. Due to the low thickness of the corrosion layers formed, X-ray photoelectron spectroscopy has been used to characterize them. In the passive domain, the corrosion products are similar for the various solutions. The corrosion layer is composed of a mixture of Fe3+ and Fe2+. A similar approach is used to determine the depassivation mechanism. The effect of various components such as carbonates, sulfates and silicates resulting from the dissolution of minerals of cement during the carbonation process is investigated. In addition to the surface analysis, the evolution of the electrochemical behaviour as function of the solution nature (pH) is evaluated with the help of electrochemical measurements (free corrosion potential, cyclic voltamperometry).

  17. Study of surface cleaning methods and pyrolysis temperatures on nanostructured carbon films using x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kerber, Pranita; Porter, Lisa M.; McCullough, Lynne A.; Kowalewski, Tomasz; Engelhard, Mark; Baer, Donald [Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213 (United States); Chemistry Department, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213 (United States); Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

    2012-11-15

    Nanostructured carbon (ns-C) films fabricated by stabilization and pyrolysis of diblock copolymers are of interest for a variety of electrical/electronic applications due to their chemical inertness, high-temperature insensitivity, very high surface area, and tunable electrical resistivity over a wide range [Kulkarni et al., Synth. Met. 159, 177 (2009)]. Because of their high porosity and associated high specific surface area, controlled surface cleaning studies are important for fabricating electronic devices from these films. In this study, quantification of surface composition and surface cleaning studies on ns-C films synthesized by carbonization of diblock copolymers of polyacrylonitrile-b-poly(n-butyl acrylate) at two different temperatures were carried out. X-ray photoelectron spectroscopy was used for elemental analysis and to determine the efficacy of various surface cleaning methods for ns-C films and to examine the polymer residues in the films. The in-situ surface cleaning methods included HF vapor treatment, vacuum annealing, and exposure to UV-ozone. Quantitative analysis of high-resolution XPS scans showed 11 at. % nitrogen was present in the films pyrolyzed at 600 Degree-Sign C, suggesting incomplete denitrogenation of the copolymer films. The nitrogen atomic concentration decreased significantly for films pyrolyzed at 900 Degree-Sign C confirming extensive denitrogenation at that temperature. Furthermore, quantitative analysis of nitrogen subpeaks indicated higher loss of nitrogen atoms residing at the edge of graphitic clusters relative to that of nitrogen atoms within the graphitic clusters, suggesting higher graphitization with increasing pyrolysis temperature. Of the surface cleaning methods investigated, in-situ annealing of the films at 300 Degree-Sign C for 40 min was found to be the most efficacious in removing adventitious carbon and oxygen impurities from the surface.

  18. A microcomputer-controlled modulation technique for the detection of transient species in UV photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Lonkhuyzen, H. van; Muller, H.G.; Lange, C.A. de

    1980-01-01

    A microcomputer-controlled modulation method is described to measure UV photoelectron spectra of transient species generated in a microwave discharge. Spectra at low and high microwave power levels are simultaneously recorded and afterwards linearly combined in order to remove parent compound signals. The method is applied to discharged oxygen where the transition O 2 + ( 2 PHIsub(u)) 2 ( 1 Δsub(g)) becomes visible without interference from the parent molecule O 2 ( 3 Σsub(g) - ), and to discharged sulphur dioxide where SO( 3 Σ - ) and S( 3 P) photoelectron spectra are obtained free from SO 2 bands. Finally the build-up of transient bands as a function of time is recorded. (orig.)

  19. 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.

  20. Molar concentration-depth profiles at the solution surface of a cationic surfactant reconstructed with angle resolved X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Wang Chuangye; Morgner, Harald

    2011-01-01

    In the current work, we first reconstructed the molar fraction-depth profiles of cation and anion near the surface of tetrabutylammonium iodide dissolved in formamide by a refined calculation procedure, based on angle resolved X-ray photoelectron spectroscopy experiments. In this calculation procedure, both the transmission functions of the core levels and the inelastic mean free paths of the photoelectrons have been taken into account. We have evaluated the partial molar volumes of surfactant and solvent by the densities of such solutions with different bulk concentrations. With those partial molar volumes, the molar concentration-depth profiles of tetrabutylammonium ion and iodide ion were determined. The surface excesses of both surfactant ions were then achieved directly by integrating these depth profiles. The anionic molar concentration-depth profiles and surface excesses have been compared with their counterparts determined by neutral impact ion scattering spectroscopy. The comparisons exhibit good agreements. Being capable of determining molar concentration-depth profiles of surfactant ions by core levels with different kinetic energies may extend the applicable range of ARXPS in investigating solution surfaces.

  1. A facility for the analysis of the electronic structures of solids and their surfaces by synchrotron radiation photoelectron spectroscopy

    Science.gov (United States)

    Hoesch, M.; Kim, T. K.; Dudin, P.; Wang, H.; Scott, S.; Harris, P.; Patel, S.; Matthews, M.; Hawkins, D.; Alcock, S. G.; Richter, T.; Mudd, J. J.; Basham, M.; Pratt, L.; Leicester, P.; Longhi, E. C.; Tamai, A.; Baumberger, F.

    2017-01-01

    A synchrotron radiation beamline in the photon energy range of 18-240 eV and an electron spectroscopy end station have been constructed at the 3 GeV Diamond Light Source storage ring. The instrument features a variable polarisation undulator, a high resolution monochromator, a re-focussing system to form a beam spot of 50 × 50 μm2, and an end station for angle-resolved photoelectron spectroscopy (ARPES) including a 6-degrees-of-freedom cryogenic sample manipulator. The beamline design and its performance allow for a highly productive and precise use of the ARPES technique at an energy resolution of 10-15 meV for fast k-space mapping studies with a photon flux up to 2 ṡ 1013 ph/s and well below 3 meV for high resolution spectra.

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

    Energy Technology Data Exchange (ETDEWEB)

    Yoshikawa, H., E-mail: YOSHIKAWA.Hideki@nims.go.jp [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Matolínová, I.; Matolín, V. [Charles University in Prague, Faculty of Mathematics and Physics, V Holešovičkách 2, 18000 Prague 8 (Czech Republic)

    2013-10-15

    Highlights: •Hard X-ray photoelectron spectroscopy (HAXPES) enables interface analysis of catalyst. •HAXPES enables overall analysis of porous film of Pt-doped CeO{sub 2} and related catalyst. •HAXPES enables analysis of trace elements for Pd and Pt{sub 3}Ni 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 CeO{sub 2} and related thin film catalysts evaporated on Si, carbon, and carbon nanotube substrates, because Pt-doped CeO{sub 2} 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 CeO{sub 2} 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 Pt{sub 3}Ni nanoparticle catalysts enveloped by dendrimer molecules.

  3. Excitation dynamics of dye doped tris(8-hydroxy quinoline) aluminum films studied using time-resolved photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Read, K.; Karlsson, H. S.; Murnane, M. M.; Kapteyn, H. C.; Haight, R.

    2001-01-01

    In this work, we use excite-probe photoelectron spectroscopy to study the decay of electronic excitation in tris(8-hydroxy quinoline) aluminum (Alq) doped with the organic dye 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM). Ultrashort laser pulses are used to photoexcite electrons into unoccupied molecular orbitals, and the ensuing decay rate is directly observed using photoelectron spectroscopy. Decay of the electronic excitation is studied as a function of DCM doping percentage and excitation intensity. The decay rate is seen to increase with both doping percentage and excitation intensity. These data are explained using a model including Foerster transfer, stimulated emission, concentration quenching, and bimolecular singlet - singlet exciton annihilation. In this model, we find that it is necessary to include a very fast (faster than predicted in standard Foerster transfer theory) excitation transfer of a fraction of the excitation from the Alq to the DCM, where that fraction corresponds to the approximate nearest-neighbor population. [copyright] 2001 American Institute of Physics

  4. The Buried Carbon/Solid Electrolyte Interphase in Li-ion Batteries Studied by Hard X-ray Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Ciosek Högström, Katarzyna; Malmgren, Sara; Hahlin, Maria; Gorgoi, Mihaela; Nyholm, Leif; Rensmo, Håkan; Edström, Kristina

    2014-01-01

    In cycled Li-ion batteries, the carbon negative electrode is buried under a thin passivating layer referred to as the solid electrolyte interphase (SEI). In the present study, the increased depth sensitivity of hard X-ray photoelectron spectroscopy (HAXPES) as compared to conventional X-ray photoelectron spectroscopy (XPS) is used to study electrochemical changes at such a buried carbon/SEI. Samples from graphite/LiFePO 4 cells cycled to specific potentials during the first four charge/discharge cycles were studied. The results show dynamic changes in the SEI during cycling. Reversible, state of charge (SOC) dependent changes in the SEI thickness as well as amounts of lithium oxide, lithium fluoride, lithium and carbon active material were discussed. Moreover, the results indicate lithium enrichment close to the carbon active material surface, which could not be explained by intercalation of lithium into carbon with LiC 6 structure or by SEI formation at the surface. Potential dependent shifts in the binding energy of the carbon active material C1s feature showed the importance of internal energy calibration with an SEI feature rather than carbon active material

  5. X-ray photoelectron spectroscopy study of the functionalization of carbon metal-containing nanotubes with phosphorus atoms

    International Nuclear Information System (INIS)

    Shabanova, I.N.; Terebova, N.S.

    2013-01-01

    Highlights: •Carbon metal-containing nanotubes (Me–Cu, Ni, Fe) were functionalized with chemical groups containing different concentrations of phosphorous. •The C1s and Me3s spectra were measured by the X-ray photoelectron spectroscopy method. •The values of the atomic magnetic moment of the carbon metal-containing nanotubes were determined. -- Abstract: In the present paper, carbon metal-containing (Me: Cu, Ni, Fe) nanotubes functionalized with phosphorus atoms (ammonium polyphosphate) were studied by X-ray photoelectron spectroscopy (XPS) on an X-ray electron magnetic spectrometer. It is found that the functionalization leads to the change of the metal atomic magnetic moment, i.e. the value of the atomic magnetic moment in the functionalized carbon metal-containing (Cu, Ni, Fe) nanotubes increases and is higher than that in pristine nanotubes. It is shown that the covalent bond of Me and P atoms is formed. This leads to an increase in the activity of the nanostructure surface which is necessary for the modification of materials

  6. 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.

  7. Surface characterization of uranium metal and uranium dioxide using X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Allen, G.C.; Trickle, I.R.; Tucker, P.M.

    1981-01-01

    X-ray photoelectron spectra of pure uranium metal and stoichiometric uranium dioxide have been obtained using an AEI ES300 spectrometer. Binding energy values for core and valence electrons have been determined using an internally calibrated energy scale and monochromatic Al Kα radiation. Satellite peaks observed accompanying certain principal core ionizations are discussed in relation to the mechanisms by which they arise. Confirmation is obtained that for stoichiometric UOsub(2.00) a single shake-up satellite is observed accompanying the U 4fsub(7/2,5/2) principal core lines, separated by 6.8 eV to higher binding energy. (author)

  8. Communication: Remarkable electrophilicity of the oxalic acid monomer: An anion photoelectron spectroscopy and theoretical study

    International Nuclear Information System (INIS)

    Buonaugurio, Angela; Graham, Jacob; Buytendyk, Allyson; Bowen, Kit H.; Ryder, Matthew R.; Gutowski, Maciej; Keolopile, Zibo G.; Haranczyk, Maciej

    2014-01-01

    Our experimental and computational results demonstrate an unusual electrophilicity of oxalic acid, the simplest dicarboxylic acid. The monomer is characterized by an adiabatic electron affinity and electron vertical detachment energy of 0.72 and 1.08 eV (±0.05 eV), respectively. The electrophilicity results primarily from the bonding carbon-carbon interaction in the singly occupied molecular orbital of the anion, but it is further enhanced by intramolecular hydrogen bonds. The well-resolved structure in the photoelectron spectrum is reproduced theoretically, based on Franck-Condon factors for the vibronic anion → neutral transitions

  9. Self-compensation in ZnO thin films: An insight from X-ray photoelectron spectroscopy, Raman spectroscopy and time-of-flight secondary ion mass spectroscopy analyses

    International Nuclear Information System (INIS)

    Saw, K.G.; Ibrahim, K.; Lim, Y.T.; Chai, M.K.

    2007-01-01

    As-grown ZnO typically exhibits n-type conductivity and the difficulty of synthesizing p-type ZnO for the realization of ZnO-based optoelectronic devices is mainly due to the compensation effect of a large background n-type carrier concentration. The cause of this self-compensation effect has not been conclusively identified although oxygen vacancies, zinc interstitials and hydrogen have been suggested. In this work, typical n-type ZnO thin films were prepared by sputtering and investigated using X-ray photoelectron spectroscopy, Raman spectroscopy and time-of-flight secondary ion mass spectroscopy to gain an insight on the possible cause of the self-compensation effect. The analyses found that the native defect that most likely behaved as the donor was zinc interstitial but some contribution of n-type conductivity could also come from the electronegative carbonates or hydrogen carbonates incorporated in the ZnO thin films

  10. 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...

  11. 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.

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

    International Nuclear Information System (INIS)

    Kubota, Mari.; Kobayashi, Tsunetoshi

    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 π 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 π orbital of 5-methoxyindole and the highest occupied π and the n 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 π orbital mainly localized on the 5-methoxyindole group and is ascribed to the fourth highest occupied π orbital of 5-methoxyindole

  13. Photoelectron spectroscopy of liquid water and aqueous solution: Electron effective attenuation lengths and emission-angle anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Ottosson, Niklas [Department of Physics, Uppsala University, SE-75121 Uppsala (Sweden); Faubel, Manfred [Max-Planck-Institut fuer Dynamik und Selbstorganisation, Bunsenstrasse 10, D-37073 Goettingen (Germany); Bradforth, Stephen E. [Department of Chemistry, University of Southern California, Los Angeles, CA 90089 (United States); Jungwirth, Pavel [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, and Center for Biomolecules and Complex Molecular Systems, Flemingovo nam. 2, 16610 Prague 6 (Czech Republic); Winter, Bernd, E-mail: winter@bessy.d [Helmholtz-Zentrum Berlin fuer Materialien und Energie, and BESSY, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Max-Born-Institut, Max-Born-Strasse 2A, D-12489 Berlin (Germany)

    2010-03-15

    Photoelectron (PE) spectroscopy measurements from liquid water and from a 4 m NaI aqueous solution are performed using a liquid microjet in combination with soft X-ray synchrotron radiation. From the oxygen 1s PE signal intensity from liquid water, measured as a function of photon energy (up to 1500 eV), we quantitatively determine relative electron inelastic effective attenuation lengths (EAL) for (photo)electron kinetic energies in the 70-900 eV range. In order to determine the absolute electron escape depths a calibration point is needed, which is not directly accessible by experiment. This information can instead be indirectly derived by comparing PE experiments and molecular dynamics (MD) simulations of an aqueous solution interface where density profiles of water, anions, and cations are distinctively different. We have chosen sodium iodide in water because iodide has a considerable propensity for the solution surface, whereas the sodium cation is repelled from the surface. By measuring the intensities of photoelectrons emitted from different orbitals of different symmetries from each aqueous ion we also evaluate whether gas-phase ionization cross sections and asymmetry parameters can describe the photoemission from ions at and near the aqueous solution/vapor interface. We show that gas-phase data reproduce surprisingly well the experimental observations for hydrated ions as long as the photon energy is sufficiently far above the ionization threshold. Electrons detected at the higher photon energies originate predominantly from deeper layers, suggesting that bulk-solution electron elastic scattering is relatively weak.

  14. Band formation in xenon-argon alloys studied by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Nuernberger, R.; Himpsel, F.J.; Schwentner, N.; Koch, E.E.

    1977-01-01

    Photoelectron energy distribution curves for Xenon-Argon alloys for concentrations ranging from 0-100% have been measured by excitation with synchrotron radiation at hupsilon = 13.8 eV, 16.5 eV and 18.0 eV. With increasing Xe concentration the gradual formation of Xe valence bands starting from the atomic Xe 5p 1 / 2 and Xe 5p 3 / 2 states is observed. Similarly with Ar the 3p states are broadened with increasing Ar concentration. Rather high concentrations of Xe or Ar are necessary in order to reach the fully developed Xe or Ar bands respectively. The results are discussed in terms of a concentration dependent tightbinding bandstructure. (orig.) [de

  15. X-ray photoelectron spectroscopy of the uranium/oxygen system: Part 13

    International Nuclear Information System (INIS)

    Allen, G.C.; Stevens, J.C.H.

    1987-02-01

    The reaction between commercial H 2 and uranium metal leads to the formation of UO 2 due to traces of water vapour or oxygen. When extremely pure H 2 is used uranium hydride may be formed but, even with 99.9999% H 2 , uranium dioxide forms preferentially. The present work identifies the presence of UH 3 in the X-ray photoelectron spectrum of a uranium sample which has been exposed to ∼ 5 mbar H 2 at ∼ 200 0 C for 1 hour. This spectrum indicates that the hydride possesses a high degree of covalency, since the oxidation state of uranium in UH 3 appears to be ∼ 1.4. (U.K.)

  16. Coverage dependent photoelectron spectroscopy of CO chemisorption on Cu (111): evidence for two adsorption sites

    International Nuclear Information System (INIS)

    Jugnet, Y.; Tran, M.D.

    1978-06-01

    The ultraviolet photoelectron spectra (UPS) of CO adsorbed on (111) face of Cu are found to be dependent of coverage from exposure of 0.3L up to saturation. At lowest dose two intense molecular orbitals are observed at binding energies of 8.7 and 11.7 eV - phase I -. The intensity of two additional structures at 9.6 and 13.7 eV is fastly enhanced with increasing exposure - phase II -, more weakly bound, yielding at saturation coverage the complex four peak spectra usually reported for CO and Cu. We therefore reassign the levels at 11.7 and 8.7 eV to the 4SIGMA and overlap of molecular orbitals of CO adsorbed on top position and the levels at 13.7 and 9.6 eV to the same for CO adsorbed on bridge position

  17. Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

    Science.gov (United States)

    Kamada, M.; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K.

    2016-04-01

    Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4, m ≥ 3) orbitals. Resonant photoelectron spectra at S-L23 and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

  18. Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Kamada, M., E-mail: kamada@cc.saga-u.ac.jp; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K. [Synchrotron Light Application Center, Saga University, Honjo 1, Saga 840-8502 (Japan)

    2016-04-15

    Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4,  m ≥ 3) orbitals. Resonant photoelectron spectra at S-L{sub 23} and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

  19. Band alignment of InGaZnO4/Si interface by hard x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Lee, Kyeongmi; Kamiya, Toshio; Nomura, Kenji; Yanagi, Hiroshi; Ikenaga, Eiji; Sugiyama, Takeharu; Kobayashi, Keisuke; Hosono, Hideo

    2012-01-01

    Although amorphous InGaZnO 4 has intensively been studied for a semiconductor channel material of thin-film transistors in next-generation flat-panel displays, its electronic structure parameters have not been reported. In this work, the electron affinities (χ) and the ionization potentials (I p ) of crystalline and amorphous InGaZnO 4 (c-IGZO and a-IGZO) were measured using bulk-sensitive hard x-ray photoelectron spectroscopy. First, the χ and I p values of c-IGZO and a-IGZO thin films were estimated by aligning the Zn 2p 3/2 core level energies to a literature value for ZnO, which provided χ = 3.90 eV and I p = 7.58 eV for c-IGZO and 4.31 eV and 7.41 eV for a-IGZO. It was also confirmed that the escape depth of the photoelectrons excited by the photon energy of 5950.2 eV is 3.3 nm for a-IGZO and large enough for directly measuring the interface electronic structure using a-IGZO/c-Si heterojunctions. It provided the valence band offset of ∼2.3 eV, which agrees well with the above data. The present results substantiate that the a-IGZO/c-Si interface follows well the Schottky-Mott rule.

  20. Magnetometry of buried layers—Linear magnetic dichroism and spin detection in angular resolved hard X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Gloskovskii, Andrei; Stryganyuk, Gregory; Fecher, Gerhard H.; Felser, Claudia; Thiess, Sebastian; Schulz-Ritter, Heiko; Drube, Wolfgang; Berner, Götz; Sing, Michael; Claessen, Ralph; Yamamoto, Masafumi

    2012-01-01

    Highlights: ► Newly commissioned HAXPES instrument at P09 beamline of the PETRA III ring at DESY. ► We report HAXPES studies on buried magnetic nanolayers in a multi-layer sample. ► Linear magnetic dichroism of photoelectrons from buried CoFe–Ir 78 Mn 22 layers. ► Spin-resolved HAXPES measurements on buried magnetic multilayers using Mott detector. - Abstract: The electronic properties of buried magnetic nano-layers were studied using the linear magnetic dichroism in the angular distribution of photoemitted Fe, Co, and Mn 2p electrons from a CoFe–Ir 78 Mn 22 multi-layered sample. The buried layers were probed using hard X-ray photoelectron spectroscopy, HAXPES, at the undulator beamline P09 of the 3rd generation storage ring PETRA III. The results demonstrate that this magnetometry technique can be used as a sensitive element specific probe for magnetic properties suitable for application to buried ferromagnetic and antiferromagnetic magnetic materials and multilayered spintronics devices. Using the same instrument, spin-resolved Fe 2p HAXPES spectra were obtained from the buried layer with good signal quality.

  1. Thickness measurement of a thin hetero-oxide film with an interfacial oxide layer by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Kim, Kyung Joong; Lee, Seung Mi; Jang, Jong Shik; Moret, Mona

    2012-02-01

    The general equation Tove = L cos θ ln(Rexp/R0 + 1) for the thickness measurement of thin oxide films by X-ray photoelectron spectroscopy (XPS) was applied to a HfO2/SiO2/Si(1 0 0) as a thin hetero-oxide film system with an interfacial oxide layer. The contribution of the thick interfacial SiO2 layer to the thickness of the HfO2 overlayer was counterbalanced by multiplying the ratio between the intensity of Si4+ from a thick SiO2 film and that of Si0 from a Si(1 0 0) substrate to the intensity of Si4+ from the HfO2/SiO2/Si(1 0 0) film. With this approximation, the thickness levels of the HfO2 overlayers showed a small standard deviation of 0.03 nm in a series of HfO2 (2 nm)/SiO2 (2-6 nm)/Si(1 0 0) films. Mutual calibration with XPS and transmission electron microscopy (TEM) was used to verify the thickness of HfO2 overlayers in a series of HfO2 (1-4 nm)/SiO2 (3 nm)/Si(1 0 0) films. From the linear relation between the thickness values derived from XPS and TEM, the effective attenuation length of the photoelectrons and the thickness of the HfO2 overlayer could be determined.

  2. 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)

    Imam, H.; Ahmed, Doaa; Eldakrouri, Ashraf

    2013-01-01

    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.

  3. 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.

  4. Sputter deposition of indium tin oxide onto zinc pthalocyanine: Chemical and electronic properties of the interface studied by photoelectron spectroscopy

    Science.gov (United States)

    Gassmann, Jürgen; Brötz, Joachim; Klein, Andreas

    2012-02-01

    The interface chemistry and the energy band alignment at the interface formed during sputter deposition of transparent conducting indium tin oxide (ITO) onto the organic semiconductor zinc phtalocyanine (ZnPc), which is important for inverted, transparent, and stacked organic light emitting diodes, is studied by in situ photoelectron spectroscopy (XPS and UPS). ITO was sputtered at room temperature and a low power density with a face to face arrangement of the target and substrate. With these deposition conditions, no chemical reaction and a low barrier height for charge injection at this interface are observed. The barrier height is comparable to those observed for the reverse deposition sequence, which also confirms the absence of sputter damage.

  5. Dynamic light scattering and X-ray photoelectron spectroscopy characterization of PEGylated polymer nanocarriers: internal structure and surface properties.

    Science.gov (United States)

    Celasco, Edvige; Valente, Ilaria; Marchisio, Daniele L; Barresi, Antonello A

    2014-07-22

    In this work, nanospheres and nanocapsules are precipitated in confined impinging jet mixers through solvent displacement and characterized. Acetone and water are used as the solvent and antisolvent, respectively, together with polymethoxypolyethylene glycol cyanoacrylate-co-hexadecylcyanoacrylate and Miglyol as the copolymer and oil, respectively. Characterization is performed with dynamic light scattering, with electrophoretic measurements, and for the first time with X-ray photoelectron spectroscopy. Results show that the presence of polyethylene glycol chains seems to be more pronounced on the surface of nanospheres than on that of nanocapsules. The thickness of the copolymer layer in nanocapsules ranges from 1 to 10 nm, depending on the value of the oil:copolymer mass ratio. Fast dilution is confirmed to have a positive effect in suppressing aggregation but can induce further copolymer precipitation.

  6. Core level photoelectron spectroscopy of LiGaS2 and Ga-S bonding in complex sulfides

    International Nuclear Information System (INIS)

    Atuchin, V.V.; Isaenko, L.I.; Kesler, V.G.; Lobanov, S.I.

    2010-01-01

    The electronic parameters of the lithium thiogallate LiGaS 2 have been evaluated by X-ray photoelectron spectroscopy (XPS). Spectral features of all constituent element core levels and Auger lines have been considered. The Ga-S bonding effects in Ga-bearing sulfide crystals have been discussed using binding energy difference Δ 2p (S-Ga) = BE(S 2p) - BE(Ga 3d) as a representative parameter to quantify the valence electron shift from gallium to sulfur atoms. The value Δ 2p (S-Ga) = 141.9 eV found for LiGaS 2 is very close to that evaluated for AgGaS 2 . This relation is an indicator of closely coincident ionicity of Ga-S bonds in LiGaS 2 and AgGaS 2 .

  7. Core level photoelectron spectroscopy of LiGaS{sub 2} and Ga-S bonding in complex sulfides

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.r [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, 13, Lavrentieva Ave., Novosibirsk 90, 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Bases of Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Lobanov, S.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

    2010-05-14

    The electronic parameters of the lithium thiogallate LiGaS{sub 2} have been evaluated by X-ray photoelectron spectroscopy (XPS). Spectral features of all constituent element core levels and Auger lines have been considered. The Ga-S bonding effects in Ga-bearing sulfide crystals have been discussed using binding energy difference {Delta}{sub 2p}(S-Ga) = BE(S 2p) - BE(Ga 3d) as a representative parameter to quantify the valence electron shift from gallium to sulfur atoms. The value {Delta}{sub 2p}(S-Ga) = 141.9 eV found for LiGaS{sub 2} is very close to that evaluated for AgGaS{sub 2}. This relation is an indicator of closely coincident ionicity of Ga-S bonds in LiGaS{sub 2} and AgGaS{sub 2}.

  8. 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.

  9. Envelope composition of Salmonella typhimurium 395 MS and 395 MR10 assesses by X-ray photoelectron spectroscopy (ESCA)

    International Nuclear Information System (INIS)

    Magnusson, K.F.; Johansson, L.

    1977-01-01

    The Salmonella typhimurium 395 MS and MR10 bacteria and lipopolysaccharide (LPS) were studied by X-ray photoelectron spectroscopy with the aid of the ESCA technique for the in situ analysis of chemical elements (C, O and N) at the surface. The nitrogen peak was large in both bacteria implying the presence of protein in the very outer part of the bacterial envelope due to the surface-sensitive measurement. The nitrogen peak was larger in the MR10 than in the MS bacteria, presumably reflecting an increased exposure of proteins concomitantly with the reduction of the LPS in MR10. After corrections for background and sensitivity of detection the relative intensities of the peaks agreed appreciably well with the proposed chemical structure of the LPS, indicating that at least semiquantitative relationships between the elements were obtained. (author)

  10. X-ray photoelectron spectroscopy study of the initial oxidation of uranium metal in oxygen+water-vapour mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Allen, G.C.; Tucker, P.M.; Lewis, R.A. (Central Electricity Generating Board, Berkeley (UK). Berkeley Nuclear Labs.)

    1984-08-01

    X-ray photoelectron spectroscopy (X.p.s.) has been used to study the chemical nature of the oxide film initially produced on clean uranium metal in oxygen + water-vapour atmospheres. The rate of reaction has been monitored and the nature of the surface film determined. From a consideration of the O 1s and U 4f X.p. spectra it has been possible to advance a mechanism which explains the complex nature of the surface oxide and the lack of satellite structure in the spectra. This is postulated to be a consequence of the way in which OH/sup -/ is involved in the growth of the oxide and the presence of hydrogen in the surface film. The presence of oxygen retards the water oxidation reaction by inhibiting the decomposition of water vapour at the gas/oxide interface.

  11. Assessment of the Quality of Newly Formed Bone around Titanium Alloy Implants by Using X-Ray Photoelectron Spectroscopy

    Directory of Open Access Journals (Sweden)

    Hiroshi Nakada

    2012-01-01

    Full Text Available The aim of this study was to evaluate differences in bones quality between newly formed bone and cortical bone formed around titanium alloy implants by using X-ray photoelectron spectroscopy. As a result of narrow scan measurement at 4 weeks, the newly formed bone of C1s, P2p, O1s, and Ca2p were observed at a different peak range and strength compared with a cortical bone. At 8 weeks, the peak range and strength of newly formed bone were similar to those of cortical bone at C1s, P2p, and Ca2p, but not O1s. The results from this analysis indicate that the peaks and quantities of each element of newly formed bone were similar to those of cortical bone at 8 weeks, suggestive of a strong physicochemical resemblance.

  12. Internal structure of InP/ZnS nanocrystals unraveled by high-resolution soft X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Huang, Kai; Demadrille, Renaud; Silly, Mathieu G; Sirotti, Fausto; Reiss, Peter; Renault, Olivier

    2010-08-24

    High-energy resolution photoelectron spectroscopy (DeltaE InP/ZnS core/shell nanocrystals synthesized using a single-step procedure (core and shell precursors added at the same time), a homogeneously alloyed InPZnS core structure is evidenced by quantitative analysis of their In3d(5/2) spectra recorded at variable excitation energy. When using a two-step method (core InP nanocrystal synthesis followed by subsequent ZnS shell growth), XPS analysis reveals a graded core/shell interface. We demonstrate the existence of In-S and S(x)-In-P(1-x) bonding states in both types of InP/ZnS nanocrystals, which allows a refined view on the underlying reaction mechanisms.

  13. Hard-X-ray photoelectron spectroscopy of NaxCoO2.yH2O

    International Nuclear Information System (INIS)

    Chainani, A.; Yokoya, T.; Takata, Y.; Tamasaku, K.; Taguchi, M.; Shimojima, T.; Kamakura, N.; Horiba, K.; Tsuda, S.; Shin, S.; Miwa, D.; Nishino, Y.; Ishikawa, T.; Yabashi, M.; Kobayashi, K.; Namatame, H.; Taniguchi, M.; Takada, K.; Sasaki, T.; Sakurai, H.; Takayama-Muromachi, E.

    2005-01-01

    We study the bulk electronic structure of Na x CoO 2 .yH 2 O using Hard X-ray (HX, hν = 5.95KeV) synchrotron photoelectron spectroscopy (PES). The Co 2p core level spectra show well-separated Co 3+ and Co 4+ ions. Cluster calculations suggest low spin Co 3+ and Co 4+ character, and a moderate on-site Coulomb correlation energy U dd ∼3-5.5eV. Photon-dependent valence band PES identifies Co 3d and O 2p derived states, in near agreement with band structure calculations. We discuss the importance of HX-PES for studying correlated transition metal oxides

  14. The Pr 2O 3/Si(0 0 1) interface studied by synchrotron radiation photo-electron spectroscopy

    Science.gov (United States)

    Schmeißer, D.; Müssig, H.-J.

    2003-10-01

    Pr 2O 3 is currently under consideration as a potential replacement for SiO 2 as the gate-dielectric material for sub-0.1 μm complementary metal-oxide-semiconductor (CMOS) technology. We studied the Pr 2O 3/Si(0 0 1) interface by a non-destructive depth profiling using synchrotron radiation photoelectron spectroscopy. Our data suggests that there is no silicide formation at the interface. Based on reported results, a chemical reactive interface exists, consisting of a mixed Si-Pr oxide such as (Pr 2O 3) x(SiO 2) 1- x, i.e. as a silicate phase with variable silicon content. This pseudo-binary alloy at the interface offers large flexibility toward successful integration of Pr 2O 3 into future CMOS technologies.

  15. X-ray photoelectron spectroscopy study of the initial oxidation of uranium metal in oxygen+water-vapour mixtures

    International Nuclear Information System (INIS)

    Allen, G.C.; Tucker, P.M.; Lewis, R.A.

    1984-01-01

    X-ray photoelectron spectroscopy (X.p.s.) has been used to study the chemical nature of the oxide film initially produced on clean uranium metal in oxygen + water-vapour atmospheres. The rate of reaction has been monitored and the nature of the surface film determined. From a consideration of the O 1s and U 4f X.p. spectra it has been possible to advance a mechanism which explains the complex nature of the surface oxide and the lack of satellite structure in the spectra. This is postulated to be a consequence of the way in which OH - is involved in the growth of the oxide and the presence of hydrogen in the surface film. The presence of oxygen retards the water oxidation reaction by inhibiting the decomposition of water vapour at the gas/oxide interface. (author)

  16. 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.

  17. 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.

  18. Combined use of atomic force microscopy, X-ray photoelectron spectroscopy, and secondary ion mass spectrometry for cell surface analysis.

    Science.gov (United States)

    Dague, Etienne; Delcorte, Arnaud; Latgé, Jean-Paul; Dufrêne, Yves F

    2008-04-01

    Understanding the surface properties of microbial cells is a major challenge of current microbiological research and a key to efficiently exploit them in biotechnology. Here, we used three advanced surface analysis techniques with different sensitivity, probing depth, and lateral resolution, that is, in situ atomic force microscopy, X-ray photoelectron spectroscopy, and secondary ion mass spectrometry, to gain insight into the surface properties of the conidia of the human fungal pathogen Aspergillus fumigatus. We show that the native ultrastructure, surface protein and polysaccharide concentrations, and amino acid composition of three mutants affected in hydrophobin production are markedly different from those of the wild-type, thereby providing novel insight into the cell wall architecture of A. fumigatus. The results demonstrate the power of using multiple complementary techniques for probing microbial cell surfaces.

  19. Photo-electron spectroscopy using synchrotron radiation of molecular radicals and fragments produced by laser photo-dissociation

    International Nuclear Information System (INIS)

    Nahon, Laurent

    1991-01-01

    This research thesis reports the combined use of a laser and of a synchrotron radiation in order to respectively photo-dissociate a molecule and to photo-ionize fragments which are analysed by photo-electron spectroscopy. This association allows, on the one hand, radical photo-ionization to be studied, and, on the other hand, polyatomic molecule photo-dissociation to be studied. The author studied the photo-excitation and/or photo-ionization in layer 4d (resp. 3d) of atomic iodine (resp. bromine) produced almost complete laser photo-dissociation of I_2 (resp. Br_2). He discuses the processes of relaxation of transitions from valence 4d to 5p (resp. 3d to 4p) which occur either by direct self-ionization or by resonant Auger effect, and reports the study of photo-dissociation of s-tetrazine (C_2N_4H_2) [fr

  20. X-ray photoelectron spectroscopy analysis of cleaning procedures for synchrotron radiation beamline materials at the Advanced Photon Source

    International Nuclear Information System (INIS)

    Li, Y.; Ryding, D.; Liu, C.; Kuzay, T.M.; McDowell, M.W.; Rosenberg, R.A.

    1994-01-01

    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

  1. Probing the Electronic Structure and Band Gap Evolution of Titanium Oxide Clusters (TiO2)n- (n=1-10) Using Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Zhai, Hua-jin; Wang, Lai S.

    2007-01-01

    TiO2 is a wide-band gap semiconductor and it is an important material for photocatalysis. Here we report an experimental investigation of the electronic structure of (TiO2)n clusters and how their band gap evolves as a function of size using anion photoelectron spectroscopy (PES). PES spectra of (TiO2)n- clusters for n = 1-10 have been obtained at 193 (6.424 eV) and 157 nm (7.866 eV). The high photon energy at 157 nm allows the band gap of the TiO2 clusters to be clearly revealed up to n = 10. The band gap is observed to be strongly size-dependent for n 1 appears to be localized in a tricoordinated Ti atom, creating a single Ti3+ site and making these clusters ideal molecular models for mechanistic understanding of TiO2 surface defects and photocatalytic properties

  2. Atomic hydrogen cleaning of In{sub 0.53}Ga{sub 0.47}As studied using synchrotron radiation photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Brennan, Barry [Department of Material Science and Engineering, University of Texas at Dallas, Richardson, Texas (United States); Kumarappan, Kumar; Hughes, Greg [Surface and Interface Research Lab, National Centre for Sensor Research, School of Physical Sciences, Dublin City University, Glasnevin, Dublin 9 (Ireland)

    2013-11-15

    The removal of the native oxides from the In{sub 0.53}Ga{sub 0.47}As surface by exposure to atomic hydrogen has been investigated by highly surface sensitive synchrotron radiation based photoelectron spectroscopy. This shows that it is possible to fully remove the arsenic oxides at low temperatures, while still leaving a low concentration of stable Ga{sub 2}O and In{sub 2}O at the surface, and no evidence of indium loss from the substrate. The removal of surface carbon contamination is also seen, however full removal is only detected in the absence of prior substrate annealing. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Angle-resolved environmental X-ray photoelectron spectroscopy: A new laboratory setup for photoemission studies at pressures up to 0.4 Torr

    International Nuclear Information System (INIS)

    Mangolini, F.; Wabiszewski, G. E.; Egberts, P.; Åhlund, J.; Backlund, K.; Karlsson, P. G.; Adiga, V. P.; Streller, F.; Wannberg, B.; Carpick, R. W.

    2012-01-01

    The paper presents the development and demonstrates the capabilities of a new laboratory-based environmental X-ray photoelectron spectroscopy system incorporating an electrostatic lens and able to acquire spectra up to 0.4 Torr. The incorporation of a two-dimensional detector provides imaging capabilities and allows the acquisition of angle-resolved data in parallel mode over an angular range of 14° without tilting the sample. The sensitivity and energy resolution of the spectrometer have been investigated by analyzing a standard Ag foil both under high vacuum (10 −8 Torr) conditions and at elevated pressures of N 2 (0.4 Torr). The possibility of acquiring angle-resolved data at different pressures has been demonstrated by analyzing a silicon/silicon dioxide (Si/SiO 2 ) sample. The collected angle-resolved spectra could be effectively used for the determination of the thickness of the native silicon oxide layer.

  4. Determination of the impact of Bi content on the valence band energy of GaAsBi using x-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    K. Collar

    2017-07-01

    Full Text Available We investigate the change of the valence band energy of GaAs1-xBix (0photoelectron spectroscopy (XPS. The change in the valence band energy per addition of 1 % Bi is determined for strained and unstrained thin films using a linear approximation applicable to the dilute regime. Spectroscopic ellipsometry (SE was used as a complementary technique to determine the change in GaAsBi bandgap resulting from Bi addition. Analysis of SE and XPS data together supports the conclusion that ∼75% of the reduction in the bandgap is in the valence band for a compressively strained, dilute GaAsBi thin film at room temperature.

  5. X-Ray photoelectron spectroscopy analysis of plasma-polymer interactions for development of low-damage plasma processing of soft materials

    International Nuclear Information System (INIS)

    Setsuhara, Yuichi; Cho, Ken; Shiratani, Masaharu; Sekine, Makoto; Hori, Masaru

    2010-01-01

    Plasma-polymer interactions have been investigated using atomic force microscopy (AFM) and x-ray photoelectron spectroscopy (XPS) of polyethyleneterephthalate (PET) films, which have been exposed to argon plasmas driven by low-inductance antenna modules as a parameter of ion energy. The AFM images indicated that the argon plasma exposure exhibited a significant change in surface roughness. The XPS analyses suggested that the degradation of chemical bonding structure and/or bond scission of PET could be effectively suppressed in the plasma exposures with ion energies below 6 eV. However, significant degradations of O = C-O bond, C-O bond and phenyl group were observed with increasing ion energy above 6 eV.

  6. 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.

  7. The influence of biosurfactant adsorption on the physicochemical behaviour of carbon steel surfaces using contact angle measurements and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Shubina, V.; Gaillet, L.; Ababou-Girard, S.; Gaudefroy, V.; Chaussadent, T.; Farças, F.; Meylheuc, T.; Dagbert, C.; Creus, J.

    2015-01-01

    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 −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 2+ and Fe 3+ mixed-oxide layer and the outer layer, mostly composed of Fe 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

  8. 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.

  9. Developments in expert systems for automatic examination of samples by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Castle, J.E.

    2010-01-01

    A brief introduction establishes the need for automatic interrogation of the X-ray photoelectron spectrum (XPS) during acquisition, to provide, immediately, the type of information required by users from a wide range of disciplines in science and technology. The review of progress in achieving this shows that progress has been made in demonstrating the use of simple Rules to extract useful information from the survey scan and to manipulate this to, for example, estimate contamination and film thicknesses on a surface. However it is argued that the essential next step is to establish a data base of the information that users from the differing fields expect to obtain from their use of XPS. Some examples of what the information might be is given for a number of fields such as Adhesion Science, Catalyst surfaces, and Bio-Systems. It is suggested that this list should be greatly expanded to provide the information in the form of Goals, each representing a relatively small step in interpretation of the data so as to achieve the required characterisation of the surface. Finally an example is given, by way of verification of a Rule base for metals and alloys, of how information in the survey scan compares with that obtained from curve fitted, high resolution, scans through individual peaks.

  10. LETTER TO THE EDITOR: Observation of photo-double ionization of carbon monoxide below the adiabatic double-ionization potential by threshold-photoelectron - photoelectron coincidence spectroscopy

    Science.gov (United States)

    Thompson, David B.; Dawber, Grant; Gulley, Nicola; MacDonald, Michael A.; King, George C.

    1997-03-01

    The production of 0953-4075/30/5/004/img8 and 0953-4075/30/5/004/img9 ion pairs in carbon monoxide at photon energies below the adiabatic double-ionization threshold of 41.25 eV has been probed in a threshold-photoelectron - photoelectron coincidence (TPEPECO) experiment using tunable VUV radiation and a sensitive electron spectrometer. The TPEPECO spectra provide evidence of 0953-4075/30/5/004/img10 production that does not involve creation and dissociation of a molecular dication, but instead results from complete dissociation of a molecular cation followed by autoionization of the atomic oxygen fragment. Furthermore, an electron - electron coincidence signal has been detected at photon energies as low as 36.5 eV, well below the previously measured onset for 0953-4075/30/5/004/img10 production.

  11. On the initial corrosion mechanism of zirconium alloy: Interaction of oxygen and water with Zircaloy at room temperature and 450 C evaluated by x-ray absorption spectroscopy and photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Doebler, U.; Knop, A.

    1994-01-01

    The initial stages of zirconium oxide formation on Zircaloy after water (H 2 O) and oxygen (O 2 ) exposures have been investigated in situ using photoelectron spectroscopy and X-ray-absorption spectroscopy. The reactivity of the zirconium alloy with O 2 at room temperature is about 1,000 times higher than for H 2 O. Up to 100 L (1 L = 1 Langmuir unit = 1 · 10 -6 mbar · s) H 2 O exposure, the reactivity of the zirconium alloy at 450 C is comparable to the room temperature reaction. At higher H 2 O exposure, a sharp increase in the reaction rate for the high-temperature oxidation is observed. From the energy position of the Zr 3d photo emission line and their oxygen-induced chemical shifts, one can really follow the formation of the oxide films. Two different substoichiometric oxides were found during reaction with water. Suboxide (1) is located at the zirconium/zirconium-oxide interface. Subsequently, a Suboxide (2) is concluded from the chemical shift of the zirconium photoelectrons. After an oxide thickness of 2 nm, the stoichiometric ZrO 2 phase is not yet developed

  12. Local variation in Bi crystal sites of epitaxial GaAsBi studied by photoelectron spectroscopy and first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Laukkanen, P., E-mail: pekka.laukkanen@utu.fi [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Punkkinen, M.P.J., E-mail: marko.punkkinen@utu.fi [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Lahti, A. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Puustinen, J. [Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere (Finland); Tuominen, M. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Hilska, J. [Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere (Finland); Mäkelä, J.; Dahl, J.; Yasir, M. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Kuzmin, M. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Ioffe Physical-Technical Institute, Russian Academy of Sciences, St. Petersburg 194021, Russian Federation (Russian Federation); Osiecki, J.R.; Schulte, K. [The MAX IV laboratory, P. O. Box 118, Lund University, SE-221 00 Lund (Sweden); Guina, M. [Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere (Finland); Kokko, K. [Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland)

    2017-02-28

    Highlights: • XPS is used to study bulk-like properties of GaAsBi crystals. • Surface effects are removed from XPS signal by an epitaxial AlAs cap film. • Local variation of Bi composition is found. • The result is consistent with photoluminescence and theoretical results. • Ga vacancies and Bi crystallites are suggested to be dominating defects. - Abstract: Epitaxial Bi-containing III–V crystals (III-V{sub 1-x}Bi{sub x}) have attracted increasing interest due to their potential in infrared applications. Atomic-scale characterization and engineering of bulk-like III-V{sub 1-x}Bi{sub x} properties (e.g., Bi incorporation and defect formation) are challenging but relevant to develop applications. Toward that target, we report here that the traditional surface-science measurement of photoelectron spectroscopy (PES) is a potential, non-destructive method to be combined in the studies of bulk-like properties, when surface effects are properly removed. We have investigated epitaxial GaAs{sub 1-x}Bi{sub x} films, capped by epitaxial AlAs layers, with high-resolution photoelectron spectroscopy. The Bi5d core-level spectra of GaAs{sub 1-x}Bi{sub x} together with ab-initio calculations give direct evidence of variation of Bi bonding environment in the lattice sites. The result agrees with photoluminescence (PL) measurement which shows that the studied GaAs{sub 1-x}Bi{sub x} films include local areas with higher Bi content, which contribute to PL but do not readily appear in x-ray diffraction (XRD). The measured and calculated Bi core-level shifts show also that Ga vacancies and Bi clusters are dominant defects.

  13. On the nature of citrate-derived surface species on Ag nanoparticles: Insights from X-ray photoelectron spectroscopy

    Science.gov (United States)

    Mikhlin, Yuri L.; Vorobyev, Sergey A.; Saikova, Svetlana V.; Vishnyakova, Elena A.; Romanchenko, Alexander S.; Zharkov, Sergey M.; Larichev, Yurii V.

    2018-01-01

    Citrate is an important stabilizing, reducing, and complexing reagent in the wet chemical synthesis of nanoparticles of silver and other metals, however, the exact nature of adsorbates, and its mechanism of action are still uncertain. Here, we applied X-ray photoelectron spectroscopy, soft X-ray absorption near-edge spectroscopy, and other techniques in order to determine the surface composition and to specify the citrate-related species at Ag nanoparticles immobilized from the dense hydrosol prepared using room-temperature reduction of aqueous Ag+ ions with ferrous ions and citrate as stabilizer (Carey Lea method). It was found that, contrary to the common view, the species adsorbed on the Ag nanoparticles are, in large part, products of citrate decomposition comprising an alcohol group and one or two carboxylate bound to the surface Ag, and minor unbound carboxylate group; these may also be mixtures of citrate with lower molecular weight anions. No ketone groups were specified, and very minor surface Ag(I) and Fe (mainly, ferric oxyhydroxides) species were detected. Moreover, the adsorbates were different at AgNPs having various size and shape. The relation between the capping and the particle growth, colloidal stability of the high-concentration sol and properties of AgNPs is briefly considered.

  14. Laser induced changes of As.sub.50./sub.Se.sub.50./sub. nanolayers studied by synchrotron radiation photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Kondrat, O.; Popovich, N.; Holomb, R.; Mitsa, V.; Lyamayev, V.; Tsud, N.; Cháb, Vladimír; Matolín, V.; Prince, K. C.

    2012-01-01

    Roč. 520, č. 24 (2012), s. 7224-7229 ISSN 0040-6090 R&D Projects: GA MŠk(CZ) LC06058 Institutional support: RVO:68378271 Keywords : chalcogenide glass * photostructural changes * photoelectron spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.604, year: 2012

  15. Spin state and satellite structures of ε-Fe.sub.2./sub.O.sub.3./sub. as determined by resonant photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Schmeißer, D.; Haeberle, J.; Richter, M.; Brázda, Petr

    2015-01-01

    Roč. 364, Dec (2015), 127-131 ISSN 0168-583X R&D Projects: GA ČR GAP204/10/0035 Institutional support: RVO:68378271 Keywords : resonant photoelectron spectroscopy, * ε-Fe 2 O 3 * satellite emission Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.389, year: 2015

  16. Hard X-ray PhotoElectron Spectroscopy of transition metal oxides: Bulk compounds and device-ready metal-oxide interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Borgatti, F., E-mail: francesco.borgatti@cnr.it [Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), Consiglio Nazionale delle Ricerche (CNR), via P. Gobetti 101, Bologna I-40129 (Italy); Torelli, P.; Panaccione, G. [Istituto Officina dei Materiali (IOM)-CNR, Laboratorio TASC, Area Science Park, Trieste I-34149 (Italy)

    2016-04-15

    Highlights: • Hard X-ray PhotoElectron Spectroscopy (HAXPES) applied to buried interfaces of systems involving Transition Metal Oxides. • Enhanced contribution of the s states at high kinetic energies both for valence and core level spectra. • Sensitivity to chemical changes promoted by electric field across metal-oxide interfaces in resistive switching devices. - Abstract: Photoelectron spectroscopy is one of the most powerful tool to unravel the electronic structure of strongly correlated materials also thanks to the extremely large dynamic range in energy, coupled to high energy resolution that this form of spectroscopy covers. The kinetic energy range typically used for photoelectron experiments corresponds often to a strong surface sensitivity, and this turns out to be a disadvantage for the study of transition metal oxides, systems where structural and electronic reconstruction, different oxidation state, and electronic correlation may significantly vary at the surface. We report here selected Hard X-ray PhotoElectron Spectroscopy (HAXPES) results from transition metal oxides, and from buried interfaces, where we highlight some of the important features that such bulk sensitive technique brings in the analysis of electronic properties of the solids.

  17. Hard X-ray PhotoElectron Spectroscopy of transition metal oxides: Bulk compounds and device-ready metal-oxide interfaces

    International Nuclear Information System (INIS)

    Borgatti, F.; Torelli, P.; Panaccione, G.

    2016-01-01

    Highlights: • Hard X-ray PhotoElectron Spectroscopy (HAXPES) applied to buried interfaces of systems involving Transition Metal Oxides. • Enhanced contribution of the s states at high kinetic energies both for valence and core level spectra. • Sensitivity to chemical changes promoted by electric field across metal-oxide interfaces in resistive switching devices. - Abstract: Photoelectron spectroscopy is one of the most powerful tool to unravel the electronic structure of strongly correlated materials also thanks to the extremely large dynamic range in energy, coupled to high energy resolution that this form of spectroscopy covers. The kinetic energy range typically used for photoelectron experiments corresponds often to a strong surface sensitivity, and this turns out to be a disadvantage for the study of transition metal oxides, systems where structural and electronic reconstruction, different oxidation state, and electronic correlation may significantly vary at the surface. We report here selected Hard X-ray PhotoElectron Spectroscopy (HAXPES) results from transition metal oxides, and from buried interfaces, where we highlight some of the important features that such bulk sensitive technique brings in the analysis of electronic properties of the solids.

  18. Dynamic secondary ion mass spectrometry and X-ray photoelectron spectroscopy on artistic bronze and copper artificial patinas

    International Nuclear Information System (INIS)

    Balta, I.Z.; Pederzoli, S.; Iacob, E.; Bersani, M.

    2009-01-01

    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

  19. Dynamic secondary ion mass spectrometry and X-ray photoelectron spectroscopy on artistic bronze and copper artificial patinas

    Energy Technology Data Exchange (ETDEWEB)

    Balta, I.Z., E-mail: balta_z_i@yahoo.com [National Research Institute for Conservation and Restoration, Calea Victoriei 12, Sector 3, 030026 Bucharest (Romania); Pederzoli, S.; Iacob, E.; Bersani, M. [Fondazione Bruno Kessler - IRST, Centro per la Ricerca Scientifica e Tecnologica, Trento (Italy)

    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

  20. X-ray photoelectron spectroscopy applied to the characterization of surfaces at pressures of up to 0.1 mbar

    International Nuclear Information System (INIS)

    Kong, C.W.

    1987-01-01

    The thesis describes the design principles, operation and an X-Ray Photoelectron Spectrometer capable of analyzing surfaces under in situ conditions in the pressure range of 10 -11 to 1 mbar. Measurements at pressures exceeding 10 -5 mbar are carried out by placing a differentially pumped aperture system between sample surface and the hemispherical electron energy analyzer. The reduction of signal intensity due to the aperture is, depending on the operating mode and resolution of the analyzer, between a factor of 5-12. Measurements at pressures as high as 6 x 10 -1 mbar show that the sensitivity of the apparatus is sufficient to detect coverages as low as ∼.1 monolayers. The experimental work described in this thesis relates to the interaction of sulfur dioxide with metallic copper and CuO and Cu 2 O surfaces. Adsorption and reaction of SO 2 with these surfaces comprise one of the elemental steps in the flue gas cleanup process from a duct stream using copper oxide particles. The adsorption and reaction of SO 2 with copper and copper oxide surfaces was studied by in situ x-ray photoelectron spectroscopy between 173 K-473 K and pressures ranging from UHV to 10 -1 mbar. It was found that a Cu 2 SO 3 species acts as an intermediate in the formation of CuSO 4 at T 300 K, in the formation of copper sulfide. The presence of gas phase oxygen was found to accelerate the surface reaction between SO 2 and the substrates. Contrary to previous suggestions, the author finds that a copper sulfate is found only under conditions which are far removed form the conditions in a duct-pipe. Under temperature and partial pressure conditions resembling the industrial process, a copper sulfide is formed

  1. Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

    Science.gov (United States)

    Garcia, Gustavo A; Krüger, Julia; Gans, Bérenger; Falvo, Cyril; Coudert, Laurent H; Loison, Jean-Christophe

    2017-07-07

    We present the photoelectron spectroscopy of four radical species, CH x CN (x = 0-2) and CNC, formed in a microwave discharge flow-tube reactor by consecutive H abstractions from CH 3 CN (CH x CN + F → CH x-1 CN + HF (x = 1-3)). The spectra were obtained combining tunable vacuum ultraviolet synchrotron radiation with double imaging electron/ion coincidence techniques, which yielded mass-selected threshold photoelectron spectra. The results obtained for H 2 CCN complement existing ones while for the other radicals the data represent the first observation of their (single-photon) ionizing transitions. In the case of H 2 CCN, Franck-Condon calculations have been performed in order to assign the vibrational structure of the X + 1 A 1 ←X 2 B 1 ionizing transition. A similar treatment for the HCCN, CCN, and CNC radicals appeared to be more complicated mainly because a Renner-Teller effect strongly affects the vibrational levels of the ground electronic state of the HCCN + , CCN, and CNC species. Nevertheless, the first adiabatic ionization energies of these radicals are reported and compared to our ab initio calculated values, leading to new values for enthalpies of formation (Δ f H 298 0 (HCCN + (X 2 A ' ))=1517±12kJmol -1 ,Δ f H 298 0 (CCN(X 2 Π))=682±13kJmol -1 , and Δ f H 298 0 (CNC(X 2 Πg))=676±12kJmol -1 ), which are of fundamental importance for astrochemistry.

  2. 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)

  3. Photoelectron spectroscopy study of Fe-diluted Au-Fe alloys

    CERN Document Server

    Nahm, T U; Choi, B; Park, J S; Oh, S J; Cho, E J

    2003-01-01

    The electronic structure of Fe-diluted Au-Fe alloys has been studied by taking core-level and valence-band spectra using x-ray photoemission spectroscopy and synchrotron radiation. From the core-level spectroscopy, we found that the Fe 2p spectrum is composed of d sup 6 and d sup 7 multiplets from Fe impurity atoms. This behaviour is qualitatively discussed within the context of electron-electron interaction. In order to explore the electron-correlation effects in the valence band, we obtained Fe 3d partial spectral weights by taking advantage of the Cooper-minimum phenomenon of an Au 5d photoionization cross section. It was found that the spin-down states have an appreciable amount of spectral weights throughout the host Au 5d band, contrary to previous one-electron calculations predicting two-peak structure of the Fe 3d states. We suggest that this discrepancy results from the correlation effect of the Fe 3d electrons.

  4. Effect of oxide charge trapping on x-ray photoelectron spectroscopy of HfO2/SiO2/Si structures

    International Nuclear Information System (INIS)

    Abe, Yasuhiro; Miyata, Noriyuki; Suzuki, Haruhiko; Kitamura, Koji; Igarashi, Satoru; Nohira, Hiroshi; Ikenaga, Eiji

    2009-01-01

    We examined the effects of interfacial SiO 2 layers and a surface metal layer on the photoelectron spectra of HfO 2 /SiO 2 /Si structures by hard X-ray photoemission spectroscopy with synchrotron radiation as well as conventional X-ray photoelectron spectroscopy (XPS). The Hf 4f and Hf 3d photoelectron peaks broadened and shifted toward a higher binding energy with increasing thickness of the interfacial SiO 2 layer, even though photoelectrons may have been emitted from the HfO 2 layer with the same chemical composition. Thinning the interfacial Si oxide layer to approximately one monolayer and depositing a metal layer on the HfO 2 surface suppressed these phenomena. The O 1s photoelectron spectra revealed marked differences between the metal- and nonmetal-deposited HfO 2 /SiO 2 /Si structures; HfO 2 and SiO 2 components in the O 1s photoelectron spectra for the metal-deposited structures were observed at reasonably separated binding energies, but those for the nonmetal-deposited structures were not separated clearly. From this behavior concerning the effects of interfacial SiO 2 and surface metal layers, we concluded that the Hf 4f, Hf 3d, and O 1s spectra measured from the HfO 2 /SiO 2 /Si structures did not reflect actual chemical bonding states. We consider that potential variations in the HfO 2 film owing to charge trapping strongly affect the measured photoelectron spectra. On the basis of angle-resolved XPS measurements, we propose that positive charges are trapped at the HfO 2 surface and negative charges are trapped inside the HfO 2 layer. (author)

  5. Comparison of (e,2e), photoelectron and conventional spectroscopies for the Ar2 ion

    International Nuclear Information System (INIS)

    McCarthy, I.E.; Uylings, P.; Poppe, R.

    1978-05-01

    States of the Ar2 ion whose eigenvectors contain large components of single-hole configurations are observed in the (e,2e) and (γ,e) reactions on the Ar1 atom. The cross section is regarded as being proportional to the spectroscopic factor, that is the state expectation value of the single-hole configuration in the eigenvector. State expectation values obtained from these reactions for 1/2 + states are compared with ones obtained by diagonalizing an effective hamiltonian in a model space, with radial matrix elememts determined by fitting spectra for bound states. (e,2e) and conventional spectroscopy are compatible and provide complementary information about structure. Simple analysis of present (γ,e) data does not lead to compatible information on spectroscopic factors

  6. Effect of relaxation and decay of a charge transfer shakeup satellite on Auger-electron spectroscopy spectra and Auger-photoelectron coincidence spectroscopy spectra of adsorbates

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    An electron excited to an unoccupied part of adsorbate-substrate hybrid states in a chemisorbed molecule by a resonant core electron excitation or charge transfer (CT) shakeup may delocalize on time scale of core-hole decay so that the excited core-hole state relaxes partly or completely to a fully relaxed one. The Auger decay of the fully relaxed core-hole state via the relaxation of the excited one introduces an additional feature in the resonant Auger-electron spectroscopy (RAES) spectrum and the AES spectrum. However, the additional feature in the RAES spectrum is a normal AES spectrum by decay of the fully relaxed core-hole state, whereas the one in the AES spectrum is the AES spectrum by decay of the fully relaxed core-hole state broadened by the photoelectron spectroscopy (PES) CT shakeup satellite weighted by the branching ratio of the relaxation width. The discrepancies between the AES spectrum measured at high above the ionization threshold and the additional feature in the RAES spectrum consist of the symmetric-like part by the decay of the fully relaxed core-hole state via the relaxation of the CT shakeup state and the asymmetric part by the direct decay of the shakeup states. The asymmetric part increases with a decrease in the hybridization strength. This explains the variation with the hybridization strength in the discrepancies between the RAES spectra and the AES spectra of chemisorbed molecules such as CO/Ni, CO/Cu and CO/Ag. A comparison of the singles PES spectrum with the one measured in coincidence with the AES main line of a selected kinetic energy (KE) provides the delocalization rate of the excited electron in the CT shakeup state as a function of photoelectron KE. The coincidence measurement to obtain the partial singles PES spectrum is discussed

  7. Investigation of valence inter-multiplet Auger transitions in Ne following 1s photoelectron recapture

    International Nuclear Information System (INIS)

    De Fanis, A; Pruemper, G; Hergenhahn, U; Kukk, E; Tanaka, T; Kitajima, M; Tanaka, H; Fritzsche, S; Kabachnik, N M; Ueda, K

    2005-01-01

    We employ a novel technique in which highly excited Rydberg states of Ne + 2p 4n p are populated via PCI-induced recapture of the near-threshold 1s photoelectron (De Fanis et al 2004 Phys. Rev. A 70 040702) to investigate valence inter-multiplet Auger transitions. The following series of the transitions have been observed: Ne + 2p 4 ( 1 D)np 2 L → Ne 2+ 2p 4 3 P J , Ne + 2p 4 ( 1 S)np 2 P →Ne 2+ 2p 4 3 P J and Ne + 2p 4 ( 1 S)np 2 P →Ne 2+ 2p 4 1 D. Their energy positions, quantum defects and the anisotropy parameters of the Auger electron emission have been determined. Experimental results are in good agreement with multi-configuration Dirac-Fock calculations carried out as a part of this study. The importance of interference effects for decays via naturally overlapping fine-structure components of the intermediate state is discussed

  8. Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.

    Science.gov (United States)

    Falge, Mirjam; Fröbel, Friedrich Georg; Engel, Volker; Gräfe, Stefanie

    2017-08-02

    If the adiabatic approximation is valid, electrons smoothly adapt to molecular geometry changes. In contrast, as a characteristic of diabatic dynamics, the electron density does not follow the nuclear motion. Recently, we have shown that the asymmetry in time-resolved photoelectron spectra serves as a tool to distinguish between these dynamics [Falge et al., J. Phys. Chem. Lett., 2012, 3, 2617]. Here, we investigate the influence of an additional, moderately intense infrared (IR) laser field, as often applied in attosecond time-resolved experiments, on such asymmetries. This is done using a simple model for coupled electronic-nuclear motion. We calculate time-resolved photoelectron spectra and their asymmetries and demonstrate that the spectra directly map the bound electron-nuclear dynamics. From the asymmetries, we can trace the IR field-induced population transfer and both the field-driven and intrinsic (non-)adiabatic dynamics. This holds true when considering superposition states accompanied by electronic coherences. The latter are observable in the asymmetries for sufficiently short XUV pulses to coherently probe the coupled states. It is thus documented that the asymmetry is a measure for phases in bound electron wave packets and non-adiabatic dynamics.

  9. X-ray photoelectron spectroscopy on 1-peso and 2-pesos of the Argentine Republic

    Science.gov (United States)

    Gard, Faramarz S.; Duffo, Gustavo; Bergamasco, Pablo; Forlerer, Elena

    2018-04-01

    Relative concentrations of nickel and copper at the surface of the ring and centre parts of 1-peso and 2-pesos Argentine coins have been studied by means of X-ray photoemission spectroscopy (XPS). It has been observed Ni-enrichment at the surface of the ring (silvery) part of a 1-peso, minted in 1994, whereas the XPS data reveals lack of nickel at the surface of the centre (silvery) part of a 2-pesos, minted in 2016. This discrepancy is explained by analyzing the XPS peaks of oxygen and carbon, and is suggested to be related to the contamination layer on the surface of the coins. The XPS analysis of the golden parts of the coins, namely the centre part of the 1-peso and the ring part of the 2-pesos coins were inconclusive, due to the small amount of the Ni (nominally %2) used in those parts. The possible oxidations states of the metals at the surface of the untreated and treated coins with the artificial human sweat were also identified.

  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. Mechanism of electron transfer in the bioadsorption of hexavalent chromium within Leersia hexandra Swartz granules by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li Jianping, E-mail: likianping@263.net [College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004 (China) and Guangxi Key Laboratory of Environmental Engineering, Protection and Assessment, Guilin 541004 (China); Lin Qingyu [College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004 (China); Zhang Xuehong [Guangxi Key Laboratory of Environmental Engineering, Protection and Assessment, Guilin 541004 (China)

    2010-10-15

    Leersia hexandra Swartz biogranules were used to adsorb Cr(VI) from aqueous solutions. Batch biosorption experiments showed that the Cr(VI) concentration sharply decreases in the first 15 min. The main functional groups that may be involved in chromium sorption were determined using Fourier transform infrared spectroscopy. The use of X-ray photoelectron spectroscopy confirmed the reduction of Cr(VI) to Cr(III) through L. hexandra Sw. Results indicate that Cr(III) is the dominant species on the surface of the biogranules and that the redox reaction can be accomplished within 40 min. The mechanism of electron transfer during Cr(VI) reduction to Cr(III) was investigated. Protonation of the oxygen-containing groups produces electrostatic-sorption power over Cr(VI). The nitrogen-containing groups serve as the electron-donor groups in the process of reduction-sorption. Moreover, after the complete reduction of Cr(VI), the pH of the suspension significantly increases.

  12. Temperature-dependent Raman and ultraviolet photoelectron spectroscopy studies on phase transition behavior of VO{sub 2} films with M1 and M2 phases

    Energy Technology Data Exchange (ETDEWEB)

    Okimura, Kunio, E-mail: okifn@keyaki.cc.u-tokai.ac.jp; Hanis Azhan, Nurul [Graduate School of Engineering, Tokai University, Hiratsuka 259-1292 (Japan); Hajiri, Tetsuya [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Graduate School of Engineering, Nagoya University, Nagoya 464-8603 (Japan); Kimura, Shin-ichi [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Graduate School of Frontier Biosciences, Osaka University, Suita 565-0871 (Japan); Zaghrioui, Mustapha; Sakai, Joe [GREMAN, UMR 7347 CNRS, Université François Rabelais de Tours, Parc de Grandmont, 37200 Tours (France)

    2014-04-21

    Structural and electronic phase transitions behavior of two polycrystalline VO{sub 2} films, one with pure M1 phase and the other with pure M2 phase at room temperature, were investigated by temperature-controlled Raman spectroscopy and ultraviolet photoelectron spectroscopy (UPS). We observed characteristic transient dynamics in which the Raman modes at 195 cm{sup −1} (V-V vibration) and 616 cm{sup −1} (V-O vibration) showed remarkable hardening along the temperature in M1 phase film, indicating the rearrangements of V-V pairs and VO{sub 6} octahedra. It was also shown that the M1 Raman mode frequency approached those of invariant M2 peaks before entering rutile phase. In UPS spectra with high energy resolution of 0.03 eV for the M2 phase film, narrower V{sub 3d} band was observed together with smaller gap compared to those of M1 phase film, supporting the nature of Mott insulator of M2 phase even in the polycrystalline film. Cooperative behavior of lattice rearrangements and electronic phase transition was suggested for M1 phase film.

  13. Oxidation and surface segregation of chromium in Fe–Cr alloys studied by Mössbauer and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Idczak, R.; Idczak, K.; Konieczny, R.

    2014-01-01

    The room temperature 57 Fe Mössbauer and XPS spectra were measured for polycrystalline iron-based Fe–Cr alloys. The spectra were collected using three techniques: the transmission Mössbauer spectroscopy (TMS), the conversion electron Mössbauer spectroscopy (CEMS) and the X-ray photoelectron spectroscopy (XPS). The combination of these experimental techniques allows to determine changes in Cr concentration and the presence of oxygen in bulk, in the 300 nm pre-surface layer and on the surface of the studied alloys

  14. In Situ Ambient Pressure X-ray Photoelectron Spectroscopy of Cobalt Perovskite Surfaces under Cathodic Polarization at High Temperatures

    KAUST Repository

    Crumlin, Ethan J.; Mutoro, Eva; Hong, Wesley T.; Biegalski, Michael D.; Christen, Hans M.; Liu, Zhi; Bluhm, Hendrik; Shao-Horn, Yang

    2013-01-01

    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.

  15. X-ray photoelectron spectroscopy and secondary electron yield analysis of Al and Cu samples exposed to an accelerator environment

    Science.gov (United States)

    Rosenberg, R. A.; McDowell, M. W.; Ma, Q.; Harkay, K. C.

    2003-09-01

    It is well known that exposure to an accelerator environment can cause ``conditioning'' of the vacuum chamber surfaces. In order to understand the manner in which the surface structure might influence the production of gases and electrons in the accelerator, such surfaces should be studied both before and after exposure to accelerator conditions. Numerous studies have been performed on representative materials prior to being inserted into an accelerator, but very little has been done on materials that have ``lived'' in the accelerator for extended periods. In the present work, we mounted Al and Cu coupons at different positions in a section of the Advanced Photon Source storage ring and removed them following exposures ranging from 6 to 18 months. X-ray photoelectron spectroscopy (XPS) of the surface was performed before and after exposure. Changes were observed that depended on the location and whether the coupon was facing the chamber interior or chamber wall. These results will be presented and compared to XPS and secondary electron yield data obtained from laboratory measurements meant to simulate the accelerator conditions.

  16. X-ray photoelectron spectroscopy study of the passive films formed on thermally sprayed and wrought Inconel 625

    Energy Technology Data Exchange (ETDEWEB)

    Bakare, M.S. [Materials, Mechanics and Structures Research Division, Faculty of Engineering, University of Nottingham, University Park, Nottingham, NG7 2RD (United Kingdom); Voisey, K.T., E-mail: Katy.voisey@nottingham.ac.uk [Materials, Mechanics and Structures Research Division, Faculty of Engineering, University of Nottingham, University Park, Nottingham, NG7 2RD (United Kingdom); Roe, M.J.; McCartney, D.G. [Materials, Mechanics and Structures Research Division, Faculty of Engineering, University of Nottingham, University Park, Nottingham, NG7 2RD (United Kingdom)

    2010-11-15

    There is a well known performance gap in corrosion resistance between thermally sprayed corrosion resistant coatings and the equivalent bulk materials. Interconnected porosity has an important and well known effect, however there are additional relevant microstructural effects. Previous work has shown that a compositional difference exists between the regions of resolidified and non-melted material that exist in the as-sprayed coatings. The resolidified regions are depleted in oxide forming elements due to formation of oxides during coating deposition. Formation of galvanic cells between these different regions is believed to decrease the corrosion resistance of the coating. In order to increase understanding of the details of this effect, this work uses X-ray photoelectron spectroscopy (XPS) to study the passive films formed on thermally sprayed coatings (HVOF) and bulk Inconel 625, a commercially available corrosion resistant Ni-Cr-Mo-Nb alloy. Passive films produced by potentiodynamic scanning to 400 mV in 0.5 M sulphuric acid were compared with air-formed films. The poorer corrosion performance of the thermally sprayed coatings was attributed to Ni(OH){sub 2}, which forms a loose, non-adherent and therefore non-protective film. The good corrosion resistance of wrought Inconel 625 is due to formation of Cr, Mo and Nb oxides.

  17. Ion bombardment and adsorption studies on ilmenite (FeTiO3) by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Schulze, P.D.

    1983-01-01

    The effects of 5 KeV argon and oxygen ion bombardment on FeTiO3 (ilmenite) at low temperatures have been studied using x-ray photoelectron spectroscopy (XPS). Also, using this same technique, the adsorption of O 2 , NO, N 2 O, and CO at 300 K and the adsorption of O 2 and D 2 O at 150K have been studied. Argon and oxygen ion bombardment of ilmenite have confirmed earlier studies on metal oxides that argon ions generally reduce the anion species while oxygen ions generally oxidize the anion species. The two iron states involved were Fe sup +2 and Fe sup O. The reduction of Ti sup +4 was not verified although a significant shift in the Ti(2p1,3) binding energies toward the metallic state was observed after oxygen ion bombardment at low temperatures. At temperatures above 150K, O 2 adsorbs dissociatively on ilmenite while D 2 O adsorbs molecularly below 170K. Above 300 K NO, N 2 O, and CO do not appear to adsorb dissociatively. Low temperature adsorption of D 2 O was found to be inhibited by predosing the ilmenite with O 2

  18. Ion bombardment and adsorption studies on ilmenite (FeTiO3) by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Schulze, P. D.

    1983-01-01

    The effects of 5 KeV argon and oxygen ion bombardment on FeTiO3 (ilmenite) at low temperatures have been studied using X-ray photoelectron spectroscopy (XPS). Also, using this same technique, the adsorption of O2, NO, N2O, and CO at 300 K and the adsorption of O2 and D2O at 150K have been studied. Argon and oxygen ion bombardment of ilmenite have confirmed earlier studies on metal oxides that argon ions generally reduce the anion species while oxygen ions generally oxidize the anion species. The two iron states involved were Fe sup +2 and Fe sup O. The reduction of Ti sup +4 was not verified although a significant shift in the Ti(2p1,3) binding energies toward the metallic state was observed after oxygen ion bombardment at low temperatures. At temperatures above 150K, O2 adsorbs dissociatively on ilmenite while D2O adsorbs molecularly below 170K. Above 300 K No, N2O, and CO do not appear to adsorb dissociatively. Low temperature adsorption of D2O was found to be inhibited by predosing the ilmenite with O2.

  19. Resonant photoelectron spectroscopy of γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Schuetz, Philipp; Pfaff, Florian; Zapf, Michael; Gabel, Judith; Dudy, Lenart; Berner, Goetz; Sing, Michael; Claessen, Ralph [Wuerzburg Univ. (Germany). Physikalisches Inst. and Roentgen Center for Complex Material Systems (RCCM); Chen, Yunzhong; Pryds, Nini [Technical Univ. of Denmark, Risoe (Denmark). Dept. of Energy Conversion and Storage; Rogalev, Victor; Strocov, Vladimir [Paul Scherrer Institut, Villigen (Switzerland). Swiss Light Source; Schlueter, Christoph; Lee, Tien-Lin [Diamond Light Source Ltd., Didcot (United Kingdom)

    2015-07-01

    The spinel/perovskite heterointerface between the band insulators γ-Al{sub 2}O{sub 3} and SrTiO{sub 3} hosts a two-dimensional electron system (2DES) with exceptionally high electron mobility. Soft X-ray resonant photoelectron spectroscopy at the Ti L absorption edge is used to probe the Ti 3d derived interface states. Marked differences in the resonance behavior are found for the SrTiO{sub 3} valence band and the different interface states, which are observed in the band gap of SrTiO{sub 3}. A comparison to X-ray absorption spectra of Ti 3d{sup 0} and Ti 3d{sup 1} systems reveals the presence of different types of electronic states with Ti 3d character, i.e., oxygen vacancy induced, trapped in-gap states and itinerant states contributing to the 2DES. Furthermore, exposure to low doses of oxygen during irradiation allows for the controlled and reversible manipulation of the interfacial electronic structure, i.e., the in-gap state intensity and the valence band offset between SrTiO{sub 3} and γ-Al{sub 2}O{sub 3}.

  20. 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.

  1. Quantitative analysis of povidone-iodine thin films by X-ray photoelectron spectroscopy and their physicochemical properties

    Directory of Open Access Journals (Sweden)

    Sa Anongtip

    2017-06-01

    Full Text Available In this study, povidone-iodine (PVP-I has been formulated as a topical spray to produce a thin film for the controlled release of I2. By means of experimental design, 27 formulations containing glycerol, ethanol, PEG 400, copovidone and HFA 134a as a propellant were prepared. The pH values of all formulations were in the range of 6-7. The viscosity was within the range of 11.9-85.9 mPa s. The surface tensions were 20.3 to 24.6 mN m-1 and the contact angles were between 19.3 and 38.7°. The assays for the iodine contents were within acceptable range (80-120 %. X-ray photoelectron spectroscopy analysis revealed the ionized form of iodine was much higher than the unionized form. The MIC and MBC values of the PVP-I sprays against Staphylococcus aureus, S. epidermidis and Pseudomonas aeruginosa were higher than that of commercial PVP-I solution. The cytotoxicity study confirmed that the PVP-I spray had lower toxic effects on keratinocytes and fibroblasts compared to the commercial PVP-I solution. The formulation containing 59 % ethanol, 18 % copovidone and 12 % PEG 400 showed good antibacterial activity.

  2. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    International Nuclear Information System (INIS)

    Wu, Guorong; Neville, Simon P.; Schalk, Oliver; Sekikawa, Taro; Ashfold, Michael N. R.; Worth, Graham A.; Stolow, Albert

    2016-01-01

    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 2 (πσ ∗ ) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B 1 (π3p y ) Rydberg state, followed by prompt internal conversion to the A 2 (πσ ∗ ) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A 2 (πσ ∗ ) 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 2 (πσ ∗ ) state, facilitating wavepacket motion around the potential barrier in the N–CH 3 dissociation coordinate

  3. Band offsets in HfTiO/InGaZnO4 heterojunction determined by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    He, G.; Chen, X.F.; Lv, J.G.; Fang, Z.B.; Liu, Y.M.; Zhu, K.R.; Sun, Z.Q.; Liu, M.

    2015-01-01

    Highlights: • Band offsets in HfTiO/InGaZnO 4 heterojunction were determined by XPS. • Valence band offset of HfTiO/IGZO heterojunction is determined to be 0.35 eV. • Conduction band offset of 1.61 eV is deduced for HfTiO/IGZO heterojunction. - Abstract: In current report, X-ray photoelectron spectroscopy has been pursued to obtain the valence band discontinuity (ΔE v ) of sputter deposited HfTiO/InZnGaO 4 (IGZO) heterostructures. A ΔE v value of 0.32 ± 0.1 eV was obtained by using the Ga 2p3/2, Zn 2p3/2, and In 3d5/2 energy levels as references. Taking into consideration the experimental band gaps of 5.35 eV and 3.39 eV for HfTiO and IGZO thin films measured by absorption method, respectively, this would result in a conduction band offset of 1.64 eV in this heterostructure

  4. Analysis of arsenic and some other elements in coal fly ash by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ohki, Akira; Nakajima, Tsunenori; Sakaguchi, Yuka; Iwashita, Akira; Takanashi, Hirokazu

    2005-01-01

    Surface characterization of coal fly ash (CFA) was carried out by use of X-ray photoelectron spectroscopy (XPS), especially focusing on the occurrence of As. A peak in the XPS spectrum of CFA was assigned to oxide forms of As(3d). The molar ratios of Al, As, Ca, Fe, and S normalized to Si were obtained from XPS analysis (MR-X). Also, the molar ratios of those elements were calculated from bulk analysis (total element concentration in CFA) (MR-B). The MR-X/MR-B ratio of As was much higher than those of other elements, suggesting that As is highly enriched on the surface of CFA. When eight CFA samples were analyzed, there was an approximate relationship between the MR-X values and MR-B values for As. The leaching of elements from CFA was examined by XPS analysis and by bulk analysis. The leaching tests using EDTA and HNO 3 resulted in a great decrease in the As(3d) peak area; the %leaching of As obtained by XPS analysis was almost equal to that by bulk analysis

  5. X-ray photoelectron spectroscopy study and thermoelectric properties of Al-doped ZnO thin films

    International Nuclear Information System (INIS)

    Li Li; Fang Liang; Zhou Xianju; Liu Ziyi; Zhao Liang; Jiang Sha

    2009-01-01

    In this paper, high quality Al-doped ZnO (AZO) thin films were prepared by direct current (DC) reactive magnetron sputtering using a Zn target (99.99%) containing Al of 1.5 wt.%. The films obtained were characterized by X-ray photoelectron spectroscopy (XPS) and thermoelectric measurements. The XPS results reveal that Zn and Al exist only in oxidized state, while there are dominant crystal lattice and rare adsorbed oxygen for O in the annealed AZO thin films. The studies of thermoelectric property show a striking thermoelectric effect in the AZO thin films. On the one hand, the thermoelectromotive and magnetothermoelectromotive forces increase linearly with increasing temperature difference (ΔT). On the other hand, the thermoelectric power (TEP) decreases with the electrical resistance of the sample. But the TEP increases with the increase of temperature below 300 K, and it nearly does not change around room temperature. The experimental results also demonstrate that the annealing treatment increases TEP, while the external magnetic field degrades TEP.

  6. Thickness measurement of SiO2 films thinner than 1 nm by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Joong Kim, Kyung; Park, Ki Tae; Lee, Jong Wan

    2006-01-01

    The thickness measurement of ultra-thin SiO 2 films thinner than 1 nm was studied by X-ray photoelectron spectroscopy (XPS). Amorphous SiO 2 thin films were grown on amorphous Si films to avoid the thickness difference due to the crystalline structure of a substrate. SiO 2 thin films were grown by ion beam sputter deposition under oxygen gas flow and the thickness was measured by in situ XPS. The attenuation length was determined experimentally by a SiO 2 film with a known thickness. The straight line fit between the measured thickness using XPS and the nominal thickness showed a good linear relation with a gradient of 0.969 and a small offset of 0.126 nm. The gradient measured at the range of 3.4-0.28 nm was very close to that measured at sub-nanometer range of 1.13-0.28 nm. This result means that the reliable measurement of SiO 2 film thickness below 1 nm is possible by XPS

  7. 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.

  8. Study of the electrodeposition of rhenium thin films by electrochemical quartz microbalance and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Schrebler, R.; Cury, P.; Suarez, C.; Munoz, E.; Vera, F.; Cordova, R.; Gomez, H.; Ramos-Barrado, J.R.; Leinen, D.; Dalchiele, E.A.

    2005-01-01

    Rhenium thin films were prepared by electrodeposition from an aqueous solution containing 0.1 M Na 2 SO 4 +H 2 SO 4 , pH 2 in presence of y mM HReO 4 . As substrates polycrystalline gold (y=0.75 mM HReO 4 ) and monocrystalline n-Si(100) (y=40 mM HReO 4 ) were used. The electrochemical growth of rhenium was studied by cyclic voltammetry and electrochemical quartz microbalance on gold electrodes. The results found in the potential region before the hydrogen evolution reaction (her) showed that ReO 3 , ReO 2 and Re 2 O 3 with different hydration grades can be formed. In the potential region where the her is occurring, either on gold or n-Si(100) the electrodeposition of metallic rhenium takes place. On both substrates, rhenium films were formed by electrolysis at constant potential and X-ray photoelectron spectroscopy technique was used to characterise these deposits. It was concluded that the electrodeposited films were of metallic rhenium and only the uppermost atomic layer contained rhenium oxide species

  9. 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.

  10. Study of the initial oxidation of the U4Zr2Nb alloy by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Mendonca, Renato de; Ferraz, Wilmar B.; Braga, Daniel M.; Macedo, Waldemar A.A.

    2009-01-01

    In this work, the initial stages of oxidation of the U4Zr2Nb alloy in O 2 atmosphere were studied in-situ, in ultrahigh vacuum, by X-ray photoelectron spectroscopy (XPS), an advanced surface-sensitive technique. After several hours of Ar + ion-sputtering to surface cleanness, the O 2 exposures was realized on the sample at room temperature. The evolution of oxide film formed on the sample surface was followed by XPS measures, by using Mg K α radiation of 1253.6 eV and a CLAM-2 (Vacuum Generator) electron energy analyzer. The changes of U 4f, Nb 3d, Zr 3d and O 1s photoemission peaks with O 2 exposure indicate that the adsorption of oxygen on the U4Zr2Nb alloy surface leads to fast formation of UO 2 . The alloying elements show slower oxidation and different compounds are observed in Nb 3d spectra analysis. This work shows an expressive enlargement of Nb 3d peak at 100 Langmuir exposure, indicating the formation of Nb 2 O 5 and NbO in the oxide. On the other hand, the binding energy of Zr 3d suggests that the ZrO 2 formation is stable as well as uranium dioxide. (author)

  11. Band alignment of ZnO/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn; He, Jiazhu; Chen, Le; Li, Kuilong; Jia, Fang; Zeng, Yuxiang; Lu, Youming; Zhu, Deliang; Liu, Wenjun, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn [College of Materials Science and Engineering, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Zhang, Yuan [School of Physics and Electronic Information, Hua Bei Normal University, 100 Dongshan Road, Huai Bei 235000 (China); Liu, Qiang; Yu, Wenjie [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai 200050 (China); Wu, Jing [Institute of Materials research and Engineering (IMRE), 2 Fusionopolis Way, Innovis, #08-03, 138634 Singapore (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117583 Singapore (Singapore)

    2016-08-15

    The energy band alignment between ZnO and multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The ZnO film was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 3.32 eV and a conduction band offset (CBO) of 1.12 eV were obtained for the ZnO/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the ZnO/ML-MoS{sub 2} interface were found to be 3.54 eV and 1.34 eV, respectively. With the CHF{sub 3} plasma treatment, the band alignment of the ZnO/ML-MoS{sub 2} interface has been changed from type II or staggered band alignment to type III or misaligned one, which favors the electron-hole pair separation. The band alignment difference is believed to be dominated by the down-shift in the core level of Zn 2p or the interface dipoles, which is caused by the interfacial layer rich in F.

  12. Quantitative x-ray photoelectron spectroscopy: Simple algorithm to determine the amount of atoms in the outermost few nanometers

    International Nuclear Information System (INIS)

    Tougaard, Sven

    2003-01-01

    It is well known that due to inelastic electron scattering, the measured x-ray photoelectron spectroscopy peak intensity depends strongly on the in-depth atom distribution. Quantification based only on the peak intensity can therefore give large errors. The problem was basically solved by developing algorithms for the detailed analysis of the energy distribution of emitted electrons. These algorithms have been extensively tested experimentally and found to be able to determine the depth distribution of atoms with nanometer resolution. Practical application of these algorithms has increased after ready-to-use software packages were made available and they are now being used in laboratories worldwide. These software packages are easy to use but they need operator interaction. They are not well suited for automatic data processing and there is an additional need for simplified quantification strategies that can be automated. In this article we report on a very simple algorithm. It is a slightly more accurate version of our previous algorithm. The algorithm gives the amount of atoms within the outermost three inelastic mean free paths and it also gives a rough estimate for the in-depth distribution. An experimental example of its application is also presented

  13. Comments on 'A study of amorphous Ti-Ni alloys by X-ray photoelectron spectroscopy'

    International Nuclear Information System (INIS)

    Vegh, Janos

    2006-01-01

    Recently, Seabolt et al. have published a paper [M.A. Seabolt, W.R. Ogden, A.R. Chourasia, A. Ishida, J. Electron Spectrosc. Relat. Phenom. 135 (2004) 135] in which - among others - they determine the density of states (DOS) in some materials by electron spectroscopic means. The experimental work they do is impressive and they do a pioneering work with trying to make a quantitative analysis of the density of states. However, the oversimplified data evaluation method strongly degrades the value of their work. The authors state (but do not show) that the results of a complementary analysis support their conclusions, but the principle and some technical mistakes during the data evaluation make some results of the work unreliable. Below, their data analysis method is scrutinized and it is shown that the quantitative information they derive is more likely a data evaluation artifact, stemming from the inherent features of the Shirley-type background removal, rather than a quantitative measure of the DOS. In electron spectroscopy of solids one of the most challenging problems is to separate the contributions of intrinsic and extrinsic inelastic energy loss processes. Although theoretically the task can be solved, the practical methods (derived on the basis of some simplified theoretical models) involve a lot of approximations and because of this they have a range of validity that should be respected. The Shirley background procedure is very popular because of its simplicity and because it produces a closed peak area in a relatively short energy range. On the other side, the Shirley method has no model based background, although it is frequently stated (without proof) that it removes both the extrinsic and intrinsic contributions from the measured spectrum. Because of this, it is at least questionable if this simple method could be used to extract quantitative density of states at the Fermi level from experimental spectra, as was done in [M.A. Seabolt, W.R. Ogden, A

  14. Molecular spectroscopy

    International Nuclear Information System (INIS)

    Kokh, Eh.; Zonntag, B.

    1981-01-01

    The latest investigation results on molecular spectroscopy with application of synchrotron radiation in the region of vacuum ultraviolet are generalized. Some results on investigation of excited, superexcited and ionized molecule states with the use of adsorption spectroscopy, photoelectron spectroscopy, by fluorescent and mass-spectrometric methods are considered [ru

  15. X-ray photoelectron spectroscopy and Auger electron spectroscopy studies on the passivation behavior of plasma-nitrided low alloy steel in nitric acid

    Energy Technology Data Exchange (ETDEWEB)

    Chyou, S.D.; Shih, H.C. (Dept. of Materials Science and Engineering, National Tsing Hua Univ., Hsinchu (Taiwan))

    1991-12-14

    Nitrided SAE 4140 steel has been passivated by concentrated nitric acid. The resulting film was characterized using a combination of surface-analytical techniques, such as X-ray photoelectron spectroscopy (XPS) to evaluate the chemical composition of the passive film. Auger electron spectroscopy (AES) combined with ion etching was used to determine the composition depth profiles of nitrided surface. It was found that preferential dissolution of iron leads to enhanced nitrogen and chromium concentrations within the oxynitrided layer. A dense protective oxynitrided layer was found to be formed on the nitrided surface when the concentration of nitric acid was as high as 8 M. The results of X-ray diffraction, XPS and AES analyses conclude that the protective nitride layer is composed of (Fe,Cr){sub 4}N, (Fe,Cr){sub 2-3}N and CrN in the inner layer, Fe{sub 2}O{sub 3}, Cr{sub 2}O{sub 3} and remnant nitrides in the middle layer and nitrides accompanying Cr(OH){sub 3}.H{sub 2}O and {gamma}'-FeOOH in the outermost layer. (orig.).

  16. Assigning Oxidation States to Organic Compounds via Predictions from X-ray Photoelectron Spectroscopy: A Discussion of Approaches and Recommended Improvements

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Vipul; Ganegoda, Hasitha; Engelhard, Mark H.; Terry, Jeff H.; Linford, Matthew R.

    2014-02-11

    The traditional assignment of oxidation numbers to organic molecules is problematic. Accordingly, in 1999, Calzaferri proposed a simple and elegant solution that is based on the similar electronegativities of carbon and hydrogen: hydrogen would be assigned an oxidation number of zero when bonded to carbon. Here we show that X-ray photoelectron spectroscopy (XPS), a core electron spectroscopy that is sensitive to oxidation states of elements, confirms his suggestion. In particular, in this work we: (i) list the typical rules for assigning oxidation numbers, (ii) discuss the traditional assignment of oxidation numbers to organic molecules, (iii) review Calzaferri’s solution, (iv) introduce X-ray photoelectron spectroscopy (XPS), (v) show the consistency of Calzaferri’s suggestion with XPS results, (vi) provide supporting examples from the literature, (vii) provide examples from our own research, and (viii) further confirm the Calzaferri suggestion/photoelectron spectroscopy results by discussing two organic well-known reactions. We end by reechoing Calzaferri’s suggestion that the traditional rules for assigning oxidation numbers to organic molecules be modified.

  17. Charge transfer effects in electrocatalytic Ni-C revealed by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Haslam, G. E.; Chin, X.-Y.; Burstein, G. T. [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke St., Cambridge CB2 3QZ (United Kingdom); Sato, K.; Mizokawa, T. [Department of Complexity Science and Engineering, University of Tokyo, 5-1-5 Kashiwanoha, Chiba 277-8651 (Japan)

    2012-06-04

    Binary Ni-C thin-film alloys, which have been shown to be passive against corrosion in hot sulphuric acid solution whilst also being electrocatalytically active, were investigated by XPS to determine the oxidation state of the metal and carbon components. The Ni component produces a Ni 2p spectrum similar to that of metallic nickel (i.e., no oxidation occurs) but with a 0.3 eV shift to higher binding energy (BE) due to electron donation to the carbon matrix. The C 1s peak shows a shift to lower BE by accepting electrons from the Ni nanocrystals. A cluster-model analysis of the observed Ni 2p spectrum is consistent with the electron transfer from the nickel to the carbon.

  18. X-ray photoelectron spectroscopy studies of aging effects on the surface of Au - a-Si:H - Sb-Cr Schottky diodes

    International Nuclear Information System (INIS)

    Paquin, L.; Wertheimer, M.R.; Sacher, E.; McIntyre, N.S.

    1989-01-01

    During investigations of Au - a-Si:H - Cr-Sb photovoltaic Schottky diodes, it was observed that photoconversion parameters (I sc ,, V oc , η), improved markedly with time for samples stored for several weeks in ambient air. This was always accompanied by apparent color changes in the area under the top (Au) electrode, from gold to deep purple, and by evolution of its surface conductivity σ from a highly conducting to an insulating state. Profilometry indicated that the colored area rose about 80 nm above the original surface during these changes. These diodes have been examined using depth-profiling surface analytical techniques, namely secondary-ion mass spectroscopy, Auger electron spectroscopy, and X-ray photoelectron spectroscopy (XPS), but primarily the latter. The XPS studies of the entire layer thickness on the gold electrode were carried out using erosion by Ar + ion bombardment. The XPS line positions were used to infer electrical properties of silicon and gold constituents. The results show that Si atoms first diffuse through the gold electrode, where they react with atmospheric constituents to form a thick layer composed mainly of SiO 2 . this layer is responsible for the observed changes in color, σ, and I sc . The latter change, which leads to a maximum rise in η of about 60%, is felt to result from the fact that the SiO 2 layer acts as an antireflection coating. Gold from the electrode layer also diffuses outward, mixed intimately with the silicon oxide. Further aging results in a degradation of the electrical continuity of the Au electrode, which is believed to be responsible for the observed slow drop in σ. (author). 14 refs., 9 figs

  19. Carbon 1s photoelectron spectroscopy of halomethanes. Effects of electronegativity, hardness, charge distribution, and relaxation

    International Nuclear Information System (INIS)

    Saethre, L.J.; Borve, K.J.; Thomas, T.D.; Bozek, J.D.; Huttula, M.; Kukk, E.

    2004-01-01

    Full text: The concept of electronegativity - the ability of an atom (or functional group) to attract electrons to itself - plays an important role in chemistry. A related concept is the hardness, which has been defined to be half the derivative of electronegativity with respect to charge. It is inversely related to polarizibility. A number of quantitative definitions of electronegativity have been given and a number of tables of electronegativity and hardness have been presented. In spite of this extensive activity the quantitative nature of both of these remains elusive. Inner-shell ionization energies reflect both the charge distribution in a molecule (and, hence, the electronegativity of its component atoms) and the polarizibility of the molecule (and, hence, the hardness of the component atoms). It is not surprising, therefore, that the core-ionization energies of a central atom correlate with the electronegativities of the substituents attached to the atom. It has been our goal to use these correlations to obtain a better insight into the nature of electronegativity and to develop a method for assigning group electronegativities on the basis of core-ionization energies. Carbon 1s ionization energies have been measured for 12 halomethanes. These together with earlier measurements provide 27 compounds for investigating the relationship between core-ionization energies and the electronegativity and hardness of the halogens. The ionization energies correlate nearly linearly with the sum of the electronegativities of the halogens attached to the central carbon. Both electronegativity and hardness play important roles in determining the ionization energy, and it is found that the linear relationship between ionization energy and electronegativity arises from an interplay of the electronegativity and hardness of the halogens and the length and ionicity of the carbon-halogen bond

  20. Pulse plating of Pt on n-GaAs (1 0 0) wafer surfaces: Synchrotron induced photoelectron spectroscopy and XPS of wet fabrication processes

    International Nuclear Information System (INIS)

    Ensling, D.; Hunger, R.; Kraft, D.; Mayer, Th.; Jaegermann, W.; Rodriguez-Girones, M.; Ichizli, V.; Hartnagel, H.L.

    2003-01-01

    Preparation steps of Pt/n-GaAs Schottky contacts as applied in the fabrication process of varactor diode arrays for THz applications are analysed by photoelectron spectroscopy. Pulsed cathodic deposition of Pt onto GaAs (1 0 0) wafer surfaces from acidic solution has been studied by core level photoelectron spectroscopy using different excitation energies. A laboratory AlKα source as well as synchrotron radiation of hν=130 and 645 eV at BESSY was used. Chemical analyses and semiquantitative estimates of layer thickness are given for the natural oxide of an untreated wafer surface, a surface conditioning NH 3 etching step, and stepwise pulse plating of Pt. The structural arrangement of the detected species and interface potentials are considered

  1. Probing long-range structural order in SnPc/Ag(111) by umklapp process assisted low-energy angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Jauernik, Stephan; Hein, Petra; Gurgel, Max; Falke, Julian; Bauer, Michael

    2018-03-01

    Laser-based angle-resolved photoelectron spectroscopy is performed on tin-phthalocyanine (SnPc) adsorbed on silver Ag(111). Upon adsorption of SnPc, strongly dispersing bands are observed which are identified as secondary Mahan cones formed by surface umklapp processes acting on photoelectrons from the silver substrate as they transit through the ordered adsorbate layer. We show that the photoemission data carry quantitative structural information on the adsorbate layer similar to what can be obtained from a conventional low-energy electron diffraction (LEED) study. More specifically, we compare photoemission data and LEED data probing an incommensurate-to-commensurate structural phase transition of the adsorbate layer. Based on our results we propose that Mahan-cone spectroscopy operated in a pump-probe configuration can be used in the future to probe structural dynamics at surfaces with a temporal resolution in the sub-100-fs regime.

  2. Passivity of 316L stainless steel in borate buffer solution studied by Mott-Schottky analysis, atomic absorption spectrometry and X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Feng Zhicao; Cheng Xuequn; Dong Chaofang; Xu Lin; Li Xiaogang

    2010-01-01

    Research highlights: → The polarization curve of 316L SS possesses five turning potentials in passive region. → Films formed at turning potentials perform different electrochemical and semiconductor properties. → Dissolutions and regenerations of passive film at turning potentials are obtained by AAS and XPS. → Turning potentials appearing in passive region are ascribed to the changes of the compositions of the passive films. - Abstract: The passivity of 316L stainless steel in borate buffer solution has been investigated by Mott-Schottky, atomic absorption spectrometry (AAS) and X-ray photoelectron spectroscopy (XPS). The results indicate that the polarization curve in the passive region possesses several turning potentials (0 V SCE , 0.2 V SCE , 0.4 V SCE , 0.6 V SCE and 0.85 V SCE ). The passive films formed at turning potentials perform different electrochemical and semiconductor properties. Further, the compositions of the passive films formed at turning potentials are investigated. The results reasonably explain why these potentials appear in the passive region and why specimens perform different properties at turning potentials.

  3. Determination of Schottky barrier heights and Fermi-level unpinning at the graphene/n-type Si interfaces by X-ray photoelectron spectroscopy and Kelvin probe

    International Nuclear Information System (INIS)

    Lin, Yow-Jon; Zeng, Jian-Jhou

    2014-01-01

    Highlights: • The interface characteristics of graphene/n-type Si devices are measured. • The actual work function of graphene is examined with the Kelvin probe. • An analysis is conducted according to the Schottky–Mott limit. • The Fermi energy level at the graphene/n-type Si interfaces is unpinned. • The Schottky barrier value is dependent on the work function of graphene. - Abstract: The interface characteristics of graphene/n-type Si samples using X-ray photoelectron spectroscopy (XPS) measurements are investigated. XPS makes it possible to extract a reliable Schottky barrier value. For graphene/n-type Si samples with (without) sulfide treatment, the Schottky barrier height is 0.86 (0.78) eV. The Schottky barrier height was increased from 0.78 to 0.86 eV, indicating that sulfide treatment is effective in passivating the surface of Si (owing to the formation of Si–S bonds). To determine the Fermi-level pinning/unpinning at the graphene/n-type Si interfaces with sulfide treatment, an analysis is conducted according to the Schottky–Mott limit and the actual work function of graphene is examined with the Kelvin probe. It is shown that the Fermi energy level is unpinned and the Schottky barrier value is dependent on the work function of graphene. Investigation of graphene/n-type Si interfaces is important, and providing the other technique for surface potential control is possible

  4. Determining the thickness of aliphatic alcohol monolayers covalently attached to silicon oxide surfaces using angle-resolved X-ray photoelectron spectroscopy

    Science.gov (United States)

    Lee, Austin W. H.; Kim, Dongho; Gates, Byron D.

    2018-04-01

    The thickness of alcohol based monolayers on silicon oxide surfaces were investigated using angle-resolved X-ray photoelectron spectroscopy (ARXPS). Advantages of using alcohols as building blocks for the formation of monolayers include their widespread availability, ease of handling, and stability against side reactions. Recent progress in microwave assisted reactions demonstrated the ease of forming uniform monolayers with alcohol based reagents. The studies shown herein provide a detailed investigation of the thickness of monolayers prepared from a series of aliphatic alcohols of different chain lengths. Monolayers of 1-butanol, 1-hexanol, 1-octanol, 1-decanol, and 1-dodecanol were each successfully formed through microwave assisted reactions and characterized by ARXPS techniques. The thickness of these monolayers consistently increased by ∼1.0 Å for every additional methylene (CH2) within the hydrocarbon chain of the reagents. Tilt angles of the molecules covalently attached to silicon oxide surfaces were estimated to be ∼35° for each type of reagent. These results were consistent with the observations reported for thiol based or silane based monolayers on either gold or silicon oxide surfaces, respectively. The results of this study also suggest that the alcohol based monolayers are uniform at a molecular level.

  5. Electronic-structure studies of metal-hydrogen systems using photoelectron spectroscopy (PES) radiation. Final report, 1 March 1980-31 August 1982

    International Nuclear Information System (INIS)

    Weaver, J.H.

    1982-09-01

    Photoelectron spectroscopy studies of hydrogen-bearing metals and alloys have provided fundamental information concerning the electronic interactions of hydrides. Studies of surface oxidation of several hydrogen storage materials (the LaNi 5 -family) evaluated the role of surface oxidation on hydrogen uptake. Collaborative band theory studies were undertaken to support experimental studies of the metal-semiconductor transition in LaH 2 -LaH 3 and of the refractory metal mono- and submonohydrides

  6. Photoelectron Spectroscopy of CdSe Nanocrystals in the Gas Phase: A Direct Measure of the Evanescent Electron Wave Function of Quantum Dots

    Science.gov (United States)

    2013-01-01

    researchers have used ultrafast transient absorption spectros - copy to show that the charge separation rate of Type II core− shell QDs depends on the extent...the first direct measurement of the evanescent electron density of the QD exciton. We use ultrafast two-photon photoelectron spectros - copy (2PPE) to...clusters are well preserved after the aerosol system, as observed using UV − visible spectroscopy (Supporting Information Figure S1). The isolation of the

  7. 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)

    Volpe, M.A.; Castellani, N.J.; Leroy, D.B.

    1987-01-01

    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.) [es

  8. The influence of temperature and X-ray dose on the deprotonation of lyophilized phenylalanine during X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cardenas, Juan F. [Department of Chemistry, P.O. Box 1033, Blindern, N-0315 Oslo (Norway)]. E-mail: juan.cardenas@kjemi.uio.no; Groebner, Gerhard [Biophysical Chemistry, Umea University, 90187 Umea (Sweden)

    2006-06-15

    Lyophilized phenylalanine (LP) samples were prepared from aqueous solutions at pH {approx} 1.3 and subsequently analysed using X-ray photoelectron spectroscopy (XPS) in combination with cryogenics. When samples are measured at temperatures above {approx}0 deg. C deprotonation occurs, which gradually proceeds with X-ray bombardment. In addition, deprotonation scales linearly with the difference between the Cl and the Na concentration, which strongly suggests that HCl sublimates from the sample.

  9. X-ray photoelectron spectroscopy study of the growth kinetics of biomimetically grown hydroxyapatite thin-film coatings

    International Nuclear Information System (INIS)

    McLeod, K.; Kumar, S.; Dutta, N.K.; Smart, R.St.C.; Voelcker, N.H.; Anderson, G.I.

    2010-01-01

    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).

  10. 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).

  11. Uniqueness plots: A simple graphical tool for identifying poor peak fits in X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Singh, Bhupinder; Diwan, Anubhav; Jain, Varun; Herrera-Gomez, Alberto; Terry, Jeff; Linford, Matthew R.

    2016-01-01

    Highlights: • Uniqueness plots are introduced as a new tool for identifying poor XPS peak fits. • Uniqueness plots are demonstrated on real XPS data sets. • A horizontal line in a uniqueness plot indicates a poor fit, i.e., fit parameter correlation. • A parabolic shape in a uniqueness plot indicates that a fit may be appropriate. - Abstract: 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 (χ 2 ) 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.

  12. X-ray photoelectron spectroscopy/Ar+ ion profile study of thin oxide layers on InP

    International Nuclear Information System (INIS)

    Thurgate, S.M.; Erickson, N.E.

    1990-01-01

    The effect of incremental ion bombardment on the surface layers of an aqua regia etched InP sample was studied by monitoring the components of the In 3d 5/2 and O 1s x-ray photoelectron spectroscopy (XPS) lines as the sample was bombarded with low energy (1 keV) Ar + ions. The changes in the stoichiometry of the surface produced large shifts in the position of the In 3d and O 1s lines that were not paralleled by shifts in the P 2p line. Analysis of these shifts indicated that the surface was covered with a mixture of indium hydroxide and indium phosphate, with the phosphate closer to the InP substrate. It is proposed that this layer structure is due to differences in the dissolution rates of the oxidation products in the acid etch and the effect of the distilled water rinse. It may be possible to alter the composition of such oxides by carefully tailoring the etch conditions to optimize the kinetics for the particular oxide phase required. The analysis of the XPS lines also showed that the InP substrate was damaged at very low ion doses, and finally decomposed by the ion beam. When the ion ''cleaned'' sample was exposed to oxygen, a different oxide system was produced which consisted largely of In 2 O 3 and InPO 4 [or In(PO 3 ) x ]. This model of the oxidized surface of InP is consistent with other measurements and we conclude that ion milling together with XPS and careful curve fitting can be used to find the nature of the thin oxides on InP

  13. 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.

  14. X-ray photoelectron spectroscopy study of pyrolytically coated graphite platforms submitted to simulated electrothermal atomic absorption spectrometry conditions

    International Nuclear Information System (INIS)

    Ruiz, Frine; Benzo, Zully; Quintal, Manuelita; Garaboto, Angel; Albornoz, Alberto; Brito, Joaquin L.

    2006-01-01

    The present work is part of an ongoing project aiming to a better understanding of the mechanisms of atomization on graphite furnace platforms used for electrothermal atomic absorption spectrometry (ETAAS). It reports the study of unused pyrolytic graphite coated platforms of commercial origin, as well as platforms thermally or thermo-chemically treated under simulated ETAAS analysis conditions. X-ray photoelectron spectroscopy (XPS) was employed to study the elements present at the surfaces of the platforms. New, unused platforms showed the presence of molybdenum, of unknown origin, in concentrations up to 1 at.%. Species in two different oxidations states (Mo 6+ and Mo 2+ ) were detected by analyzing the Mo 3d spectral region with high resolution XPS. The analysis of the C 1s region demonstrated the presence of several signals, one of these at 283.3 eV related to the presence of Mo carbide. The O 1s region showed also various peaks, including a signal that can be attributed to the presence of MoO 3 . Some carbon and oxygen signals were consistent with the presence of C=O and C-O- (probably C-OH) groups on the platforms surfaces. Upon thermal treatment up to 2900 deg. C, the intensity of the Mo signal decreased, but peaks due to Mo oxides (Mo 6+ and Mo 5+ ) and carbide (Mo 2+ ) were still apparent. Thermo-chemical treatment with 3 vol.% HCl solutions and heating up to 2900 deg. C resulted in further diminution of the Mo signal, with complete disappearance of Mo carbide species. Depth profiling of unused platforms by Ar + ion etching at increasing time periods demonstrated that, upon removal of several layers of carbonaceous material, the Mo signal disappears suggesting that this contamination is present only at the surface of the pyrolytic graphite platform

  15. 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.

  16. Uniqueness plots: A simple graphical tool for identifying poor peak fits in X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Bhupinder; Diwan, Anubhav; Jain, Varun [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84606 (United States); Herrera-Gomez, Alberto [CINVESTAV-Unidad Queretaro, Queretaro, 76230 (Mexico); Terry, Jeff [Department of Physics, Illinois Institute of Technology, Chicago, IL, 60616 (United States); Linford, Matthew R., E-mail: mrlinford@chem.byu.edu [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84606 (United States)

    2016-11-30

    Highlights: • Uniqueness plots are introduced as a new tool for identifying poor XPS peak fits. • Uniqueness plots are demonstrated on real XPS data sets. • A horizontal line in a uniqueness plot indicates a poor fit, i.e., fit parameter correlation. • A parabolic shape in a uniqueness plot indicates that a fit may be appropriate. - Abstract: 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 (χ{sup 2}) 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.

  17. Determination of 4f energy levels for trivalent lanthanide ions in YAlO{sub 3} by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Yuhei; Ueda, Kazushige, E-mail: kueda@che.kyutech.ac.jp

    2016-09-01

    A simple method to analyze 4f energy levels of trivalent lanthanide (Ln) ions was demonstrated by conventional X-ray photoelectron spectroscopy (XPS) measurements using Ln ions doped YAlO{sub 3} sintered polycrystalline samples. Although XPS peaks derived from Ln 4f states overlapped with the host's valence band consisting of O 2p states, the difference XPS spectra between Ln doped and non-doped samples showed only the Ln 4f peaks due to the large difference of photoionization cross sections between Ln 4f and O 2p orbitals. The difference spectra showing Ln 4f states were aligned at the valence band maximum (VBM) making use of the peaks of Al 2p inner shells, and the Ln{sup 3+} 4f energy levels referred to the VBM were determined from the Ln{sup 3+} 4f peak energies. The Ln{sup 3+} 4f energy levels obtained by this simple method were in good agreement with those previously obtained by resonant ultraviolet photoelectron spectroscopy measurements using single crystal samples. - Highlights: • Lanthanide (Ln) 4f energy in YAlO{sub 3} was studied by X-ray photoelectron spectroscopy. • The method used differences in photoionization probability between Ln 4f and O 2p. • Ln 4f states were obtained by difference spectra between Ln- and non-doped samples. • Obtained 4f energy levels agreed with those reported by a sophisticated method.

  18. Synthesis, structural, X-ray photoelectron spectroscopy (XPS) studies and IR induced anisotropy of Tl{sub 4}HgI{sub 6} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, Voli Ave. 13, Lutsk, 43025 (Ukraine); Khyzhun, O.Y. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., 03142, Kyiv (Ukraine); Piasecki, M. [Institute of Physics, J. Dlugosz University Częstochowa, Armii Krajowej 13/15, Częstochowa (Poland); Kityk, I.V., E-mail: iwank74@gmail.com [Electrical Engineering Department, Czestochowa University Technology, Armii Krajowej 17, PL-42-217, Czestochowa (Poland); Lakshminarayana, G. [Wireless and Photonic Networks Research Centre, Faculty of Engineering, Universiti Putra Malaysia, 43400, Serdang, Selangor (Malaysia); Luzhnyi, I. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., 03142, Kyiv (Ukraine); Fochuk, P.M. [Yuriy Fed’kovych Chernivtsi National University, 2 Kotziubynskoho Str., 58012, Chernivtsi (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska Street 50, 79010, Lviv (Ukraine); Levkovets, S.I.; Yurchenko, O.M.; Piskach, L.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, Voli Ave. 13, Lutsk, 43025 (Ukraine)

    2017-02-01

    In the present work, we report on the synthesis and structural properties including X-ray protoelectron spectroscopy (XPS) analysis of Tl{sub 4}HgI{sub 6} crystals that were grown by Bridgman-Stockbarger method up to 80 mm in length and 18 mm in diameter. The existence of the ternary compound Tl{sub 4}HgI{sub 6} that melts incongruently at 641 K was confirmed. Phase equilibria and structural properties for the TlI–HgI{sub 2} system were investigated by differential thermal analysis (DTA) and X-ray diffraction (XRD) methods. X-ray photoelectron spectra were measured for both pristine and Ar{sup +} ion-bombarded Tl{sub 4}HgI{sub 6} single crystal surfaces. The data reveal that the Tl{sub 4}HgI{sub 6} single crystal is sensitive with respect to Ar{sup +} ion-bombardment as 3.0 keV Ar{sup +} irradiation over 5 min at an ion current density 14 μA/cm{sup 2} induces changes to the elemental stoichiometry of the Tl{sub 4}HgI{sub 6} surface, leading to a decrease of the mercury content in the topmost surface layers. X-ray photoelectron spectroscopy (XPS) measurements indicate very low hygroscopic nature of the Tl{sub 4}HgI{sub 6} single crystal surface. The IR coherent bicolor laser treatment at wavelengths 10.6/5.3 μm has shown an occurrence of anisotropy at wavelengths 1540 nm of Er:glass laser. This may open the applications of Tl{sub 4}HgI{sub 6} as a material for IR laser triggering. - Highlights: • Phase diagram of the HgI{sub 2}–TlI system was built. • Tl{sub 4}HgI{sub 6} single crystals were grown by Bridgman Stockbarger method. • XRD, XPS analysis was done. • Ir induced anisotropy was established. • The compounds may be proposed as Ir laser operated polarizers.

  19. Photoelectron spectroscopy of self-assembled monolayers of molecular switches on noble metal surfaces; Photoelektronenspektroskopie selbstorganisierter Adsorbatschichten aus molekularen Schaltern auf Edelmetalloberflaechen

    Energy Technology Data Exchange (ETDEWEB)

    Heinemann, Nils

    2012-09-12

    analysis of our data showed that the fraction of molecules within the densely packed monolayer that undergoes a switching process is of the order of 1%. This result indicates the relevance of substrate and film defects required to overcome the steric and electronic hindrance of the isomerization reaction in a densely packed monolayer. Investigations of the tin-phthalocyanin (SnPc) molecule by Wang et al. have demonstrated that after adsorption on Ag(111), the nonplanar shape of the SnPc molecule can be exploited as a basic principle for a molecular switch. The position of the center tin atom can be switched from a tin-up to a tin-down position, using the tip of a scanning tunneling microscope. LEED measurements of UHV deposited adlayers of different coverages of SnPc molecules, found different adsorption geometries, depending on layer thickness and thermal activation. Photoelectron spectroscopy could determine the energy of HOMO and LUMO orbitals in very good agreement with results from scanning tunneling spectroscopy. However, stable photoinduced switching could not be demonstrated.

  20. Many-body effect in the resonant Ti L23-M23V Auger-electron spectroscopy spectra and Auger-photoelectron coincidence spectroscopy spectra of Ti oxides

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2007-01-01

    Recently Danger et al. [J. Danger, H. Magnan, D. Chandesris, P. Le Fevre, S. Bourgeois, J. Jupille, A. Verdini, R. Gotter, A. Morgante, Phys. Rev. B 64 (2001) 045110] and Le Fevre et al. [P. Le Fevre, J. Danger, H. Magnan, D. Chandesris, J. Jupille, S. Bourgeois, M.-A. Arrio, R. Gotter, A. Verdini, A. Morgante, Phys. Rev. B 69 (2004) 155421] showed the absence of resonant Raman scattering feature in the Ti L 23 -M 23 V resonant Auger-electron spectroscopy (RAES) spectra of Ti oxides measured across the Ti 2p edges. They attributed the absence to the covalent character of the Ti-O bond which allows an effective delocalization of 3d electrons. It is shown by a many-body theory that when the time scale of relaxation of the resonantly excited core-hole state to the fully relaxed core-hole state is much shorter than that of core-hole decay, any sizeable Raman scattering is absent in the RAES spectra measured across the Ti 2p edges. The relaxation width depends on the hybridization strength and the charge transfer (CT) energy between the two states. The L 2 -L 3 V Coster-Kronig (CK) decay widths of TiO 2 and TiO 2-x are determined from the L 23 -M 23 V Auger-photoelectron coincidence spectroscopy (APECS) spectra reported in the aforementioned papers. They are about 0.18 and 0.35 eV, respectively. The CK-decay width in the reduced Ti oxide increases compared to that of TiO 2 in rutile because of filling of the 3d states just below the Fermi level in the former

  1. Electronic states of thiophene/phenylene co-oligomers: Extreme-ultra violet excited photoelectron spectroscopy observations and density functional theory calculations

    International Nuclear Information System (INIS)

    Kawaguchi, Yoshizo; Sasaki, Fumio; Mochizuki, Hiroyuki; Ishitsuka, Tomoaki; Tomie, Toshihisa; Ootsuka, Teruhisa; Watanabe, Shuji; Shimoi, Yukihiro; Yamao, Takeshi; Hotta, Shu

    2013-01-01

    We have investigated electronic states in the valence electron bands for the thin films of three thiophene/phenylene co-oligomer (TPCO) compounds, 2,5-bis(4-biphenylyl)thiophene (BP1T), 1,4-bis(5-phenylthiophen-2-yl)benzene (AC5), and 1,4-bis{5-[4-(trifluoromethyl)phenyl]thiophen-2-yl}benzene (AC5-CF 3 ), by using extreme-UV excited photoelectron spectroscopy (EUPS). By comparing both EUPS spectra and secondary electron spectra between AC5 and AC5-CF 3 , we confirm that CF 3 substitution to AC5 deepens valence states by 2 eV, and increases the ionization energy by 3 eV. From the cut-off positions of secondary electron spectra, the work functions of AC5, AC5-CF 3 , and BP1T are evaluated to be 3.8 eV, 4.8 eV, and 4.0 eV, respectively. We calculate molecular orbital (MO) energy levels by the density functional theory and compare results of calculations with those of experiments. Densities of states obtained by broadening MO levels well explain the overall features of experimental EUPS spectra of three TPCOs.

  2. Atomic force microscopy and X-ray photoelectron spectroscopy study of NO2 reactions on CaCO3 (1014) surfaces in humid environments.

    Science.gov (United States)

    Baltrusaitis, Jonas; Grassian, Vicki H

    2012-09-13

    In this study, alternating current (AC) mode atomic force microscopy (AFM) combined with phase imaging and X-ray photoelectron spectroscopy (XPS) were used to investigate the effect of nitrogen dioxide (NO2) adsorption on calcium carbonate (CaCO3) (101̅4) surfaces at 296 K in the presence of relative humidity (RH). At 70% RH, CaCO3 (101̅4) surfaces undergo rapid formation of a metastable amorphous calcium carbonate layer, which in turn serves as a substrate for recrystallization of a nonhydrated calcite phase, presumably vaterite. The adsorption of nitrogen dioxide changes the surface properties of CaCO3 (101̅4) and the mechanism for formation of new phases. In particular, the first calcite nucleation layer serves as a source of material for further island growth; when it is depleted, there is no change in total volume of nitrocalcite, Ca(NO3)2, particles formed whereas the total number of particles decreases. This indicates that these particles are mobile and coalesce. Phase imaging combined with force curve measurements reveals areas of inhomogeneous energy dissipation during the process of water adsorption in relative humidity experiments, as well as during nitrocalcite particle formation. Potential origins of the different energy dissipation modes within the sample are discussed. Finally, XPS analysis confirms that NO2 adsorbs on CaCO3 (101̅4) in the form of nitrate (NO3(-)) regardless of environmental conditions or the pretreatment of the calcite surface at different relative humidity.

  3. Evolution of the SrTiO3/MoO3 interface electronic structure: An in situ photoelectron spectroscopy study

    KAUST Repository

    Du, Yuanmin

    2015-05-12

    Modifying the surface energetics, particularly the work function, of advanced materials is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultrathin MoO3 layers. Thanks to the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3/MoO3 interface leads to a large modulation of work function and an apparent doping in SrTiO3. The measured evolution of electronic structure and upward band bending suggest that the growth of ultrathin MoO3 layers is a powerful tool to modulate the surface energetics of SrTiO3, and this surface-engineering approach could be generalized to other functional oxides.

  4. Evolution of the SrTiO3/MoO3 interface electronic structure: An in situ photoelectron spectroscopy study

    KAUST Repository

    Du, Yuanmin; Peng, Haiyang; Mao, Hongying; Jin, Kexin; Wang, Hong; Li, Feng; Gao, Xingyu; Chen, Wei; Wu, Tao

    2015-01-01

    Modifying the surface energetics, particularly the work function, of advanced materials is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultrathin MoO3 layers. Thanks to the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3/MoO3 interface leads to a large modulation of work function and an apparent doping in SrTiO3. The measured evolution of electronic structure and upward band bending suggest that the growth of ultrathin MoO3 layers is a powerful tool to modulate the surface energetics of SrTiO3, and this surface-engineering approach could be generalized to other functional oxides.

  5. A temperature-programmed X-ray photoelectron spectroscopy (TPXPS) study of chlorine adsorption and diffusion on Ag(1 1 1)

    Science.gov (United States)

    Piao, H.; Adib, K.; Barteau, Mark A.

    2004-05-01

    Synchrotron-based temperature programmed X-ray photoelectron spectroscopy (TPXPS) has been used to investigate the surface chloridation of Ag(1 1 1) to monolayer coverages. At 100 K both atomic and molecular chlorine species are present on the surface; adsorption at 300 K or annealing the adlayer at 100 K to this temperature generates adsorbed Cl atoms. As the surface is heated from 300 to 600 K, chlorine atoms diffuse below the surface, as demonstrated by attenuation of the Cl2p signals in TPXPS experiments. Quantitative analysis of the extent of attenuation is consistent with chlorine diffusion below the topmost silver layer. For coverages in the monolayer and sub-monolayer regime, chlorine diffusion to and from the bulk appears not to be significant, in contrast to previous results obtained at higher chlorine loadings. Chlorine is removed from the surface at 650-780 K by desorption as AgCl. These results demonstrate that chlorine diffusion beneath the surface does occur at coverages and temperatures relevant to olefin epoxidation processes carried out on silver catalysts with chlorine promoters. The surface sensitivity advantages of synchrotron-based XPS experiments were critical to observing Cl diffusion to the sub-surface at low coverages.

  6. Proline adsorption on TiO 2(1 1 0) single crystal surface: A study by high resolution photoelectron spectroscopy

    Science.gov (United States)

    Fleming, G. J.; Adib, K.; Rodriguez, J. A.; Barteau, M. A.; Idriss, H.

    2007-12-01

    The surface chemistry and binding of DL-proline were investigated on the oxidised (stoichiometric) and reduced (sub-stoichiometric) TiO 2(1 1 0) single crystal surfaces. TiO 2 was chosen as the substrate as it best represents the surface of a biomedical implant, which bio-molecules interact with during the healing of bone/teeth fractures (molecular recognition). High resolution X-ray photoelectron spectroscopy (HR-XPS) studies of the C1s and N1s regions revealed that DL-proline is present in two forms (dissociated and zwitterionic) on the oxidised TiO 2 surface. On TiO 2(1 1 0) surfaces reduced by Ar + sputtering, a significant increase in the amount of zwitterionic proline at the surface was detected when compared with the oxidised surface. Study of the temperature effect showed that in both cases the zwitterionic structure was the less stable structure. The reason for its relative instability appears to be thermodynamic.

  7. Study on the chemical stability of catalyst counter electrodes for dye-sensitized solar cells using a simple X-ray photoelectron spectroscopy-based method

    Science.gov (United States)

    Yun, Dong-Jin; Kim, Jungmin; Chung, Jongwon; Park, SungHoon; Baek, WoonJoong; Kim, Yongsu; Kim, Seongheon; Kwon, Young-Nam; Chung, JaeGwan; Kyoung, Yongkoo; Kim, Ki-Hong; Heo, Sung

    2014-12-01

    Since the chemical/electrical stability and catalytic activity are essential conditions for catalyst counter electrodes (CCEs) in dye-sensitized solar cells (DSSCs), a simple dipping method is employed for evaluating the chemical stability of CCE candidates in an iodine-based liquid electrolyte (I-electrolyte). The chemical stabilities and transition mechanisms of the CCEs are successfully analyzed by studying the chemical transitions in X-ray photoelectron spectroscopy (XPS) core levels after dipping in the I-electrolyte. All films including the Pt film undergo degradation depending on the type of material. While dipping in the I-electrolyte, Cu and Au films scarcely dissolves as their respective metal sulfides, and the Al film gradually loss its metallic properties owing to Al2O3 growth. On the other hand, a previously unknown transition mechanism of organic conducting CCEs is determined based on the proposed method. Compared to the other metal films, the poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT:PSS) and multi wall carbon nanotube (MWCNT)/PEDOT:PSS films undergo an entirely unique transition mechanism, which results from the chemical adsorption of organic molecules onto PEDOT:PSS molecules in the I-electrolyte. Consequently, these chemical structure transitions correspond well to the degrees of alternation in the electrical properties of DSSCs with all the investigated CCEs.

  8. Surface analysis using X-ray photoelectron spectroscopy and X-ray diffraction of UO2 fuel pellets oxidised in air at 2300C and 2700C

    International Nuclear Information System (INIS)

    Tempest, P.A.; Tyler, J.W.

    1987-08-01

    Factors which affect the UO 2 → U 3 O 8 transformation have been investigated by sequentially oxidising UO 2 fuel pellets in air at 230 0 C and 270 0 C and monitoring the growth of U 3 O 7 and U 3 O 8 using X-ray photoelectron spectroscopy, X-ray diffraction and scanning electron microscopy. Initially oxidation proceeded at a linear rate by the inward diffusion of oxygen to form a complete layer of sub-stoichiometric U 3 O 7 . This phase was tetragonal with a c/a ratio of 1.015, significantly less than the value of 1.03 measured on UO 2 powder when oxidised under identical conditions. This difference and the preferred orientation exhibited by surface grains were caused by growth stresses induced in the pellet surface. Both intergranular and transgranular cracking occurred and became nucleation sites for the growth of U 3 O 8 . The linear oxidation period associated with U 3 O 7 growth was much shorter at 270 0 C than 230 0 C and U 3 O 8 nucleated earlier. Spallation and the production of particulate were only observed during the formation of U 3 O 8 when a 30% increase in volume arose from the U 3 O 7 → U 3 O 8 phase change. (author)

  9. Band offsets of novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} heterojunction measured by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wangkawong, Kanlayawat [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Tantraviwat, Doldet [Thai Microelectronics Center (TMEC), National Electronics and Computer Technology Center (NECTEC), Chachoengsao 24000 (Thailand); Phanichphant, Sukon [Materials Science Research Centre, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Inceesungvorn, Burapat, E-mail: binceesungvorn@gmail.com [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2015-01-01

    Highlights: • Band lineup of novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} composite is determined by semidirect XPS method. • The composite forms a type-II staggered heterojunction. • Valence and conduction-band offsets are 0.2 ± 0.3 and −0.6 ± 0.3 eV, respectively. • Band lineup determination is needed for understanding charge transfer at interfaces. - Abstract: The energy band diagram and band offsets of the novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} heterojunction photocatalyst are investigated by X-ray photoelectron spectroscopy for the first time. Excluding the strain effect, the valence-band and conduction-band offsets are determined to be 0.2 ± 0.3 eV and −0.6 ± 0.3 eV, respectively. The CoTiO{sub 3}/Ag{sub 3}VO{sub 4} composite forms a type-II heterojunction, for which the photogenerated charge carriers could be effectively separated. The results suggest that determination of the energy band structure is crucial for understanding the photogenerated charge transfer mechanism at the interfaces, hence the corresponding photocatalytic activity and would also be beneficial to the design of new and efficient heterostructure-based photocatalysts.

  10. 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.

  11. An in situ near-ambient pressure X-ray Photoelectron Spectroscopy study of Mn polarised anodically in a cell with solid oxide electrolyte

    International Nuclear Information System (INIS)

    Bozzini, Benedetto; Amati, Matteo; Bocchetta, Patrizia; Dal Zilio, Simone; Knop-Gericke, Axel; Vesselli, Erik; Kiskinova, Maya

    2015-01-01

    This paper reports an in situ study of the anodic behavior of a model solid oxide electrolysis cell (SOEC) by means of near-ambient pressure X-ray Photoelectron Spectroscopy (XPS) combined with near edge X-ray absorption fine structure (NEXAFS) measurements. The focus is on the anodic surface chemistry of MnO x , a model anodic material already considered in cognate SOFC-related studies, during electrochemical operation in CO 2 , CO 2 /H 2 O and H 2 O ambients. The XPS and NEXAFS results we obtained, complemented by electrochemical measurements and SEM characterisation, reveal the chemical evolution of Mn under electrochemical control. MnO is the stable chemical form at open-circuit potential (OCP), while Mn 3 O 4 forms under anodic polarisation in all the investigated gas ambients. Carbon deposits are present on the Mn electrode at OCP, but they are readily oxidised under anodic conditions. Prolonged operation of the MnO x anode leads to pitting of the Mn films, damaging of the triple-phase boundary region and also to formation of discontinuities in the Mn patch. This is accompanied by chemical transformations of the electrolyte and formation of ZrC without impact on the surface chemistry of the Mn-based anode

  12. X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry characterization of aging effects on the mineral fibers treated with aminopropylsilane and quaternary ammonium compounds

    DEFF Research Database (Denmark)

    Zafar, Ashar; Schjødt-Thomsen, Jan; Sodhi, R.

    2012-01-01

    (PCA) was applied to the time-of-flight secondary ion mass spectrometry spectra, and an increase in the intensities of APS characteristic peaks were observed after aging. The observed increase in the signals of APS originates from underlying silanized fibers after the removal of the surfactant......X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry were used to investigate the aging effects on the aminopropylsilane (APS) and quaternary ammonium surfactant-treated mineral fibers. APS-coated mineral fiber samples were treated with cationic surfactant...

  13. In situ x-ray photoelectron spectroscopy and capacitance voltage characterization of plasma treatments for Al{sub 2}O{sub 3}/AlGaN/GaN stacks

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Xiaoye; Lucero, Antonio; Azcatl, Angelica; Kim, Jiyoung; Wallace, Robert M. [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States)

    2014-07-07

    We investigate the Al{sub 2}O{sub 3}/AlGaN/GaN metal-oxide-semiconductor structure pretreated by O{sub 2} anneals, N{sub 2} remote plasma, and forming gas remote plasma prior to atomic layer deposition of Al{sub 2}O{sub 3} using in situ X-ray photoelectron spectroscopy, low energy electron diffraction, and capacitance- voltage measurements. Plasma pretreatments reduce the Ga-oxide/oxynitride formation and the interface state density, while inducing a threshold voltage instability.

  14. Electronic structure of the dilute magnetic semiconductor G a1 -xM nxP from hard x-ray photoelectron spectroscopy and angle-resolved photoemission

    Science.gov (United States)

    Keqi, A.; Gehlmann, M.; Conti, G.; Nemšák, S.; Rattanachata, A.; Minár, J.; Plucinski, L.; Rault, J. E.; Rueff, J. P.; Scarpulla, M.; Hategan, M.; Pálsson, G. K.; Conlon, C.; Eiteneer, D.; Saw, A. Y.; Gray, A. X.; Kobayashi, K.; Ueda, S.; Dubon, O. D.; Schneider, C. M.; Fadley, C. S.

    2018-04-01

    We have investigated the electronic structure of the dilute magnetic semiconductor (DMS) G a0.98M n0.02P and compared it to that of an undoped GaP reference sample, using hard x-ray photoelectron spectroscopy (HXPS) and hard x-ray angle-resolved photoemission spectroscopy (HARPES) at energies of about 3 keV. We present experimental data, as well as theoretical calculations, to understand the role of the Mn dopant in the emergence of ferromagnetism in this material. Both core-level spectra and angle-resolved or angle-integrated valence spectra are discussed. In particular, the HARPES experimental data are compared to free-electron final-state model calculations and to more accurate one-step photoemission theory. The experimental results show differences between G a0.98M n0.02P and GaP in both angle-resolved and angle-integrated valence spectra. The G a0.98M n0.02P bands are broadened due to the presence of Mn impurities that disturb the long-range translational order of the host GaP crystal. Mn-induced changes of the electronic structure are observed over the entire valence band range, including the presence of a distinct impurity band close to the valence-band maximum of the DMS. These experimental results are in good agreement with the one-step photoemission calculations and a prior HARPES study of G a0.97M n0.03As and GaAs [Gray et al., Nat. Mater. 11, 957 (2012), 10.1038/nmat3450], demonstrating the strong similarity between these two materials. The Mn 2 p and 3 s core-level spectra also reveal an essentially identical state in doping both GaAs and GaP.

  15. Synchrotron radiation photoelectron spectroscopy studies of self-organization in As.sub.40./sub.Se.sub.60./sub. nanolayers stored under ambient conditions and after laser irradiation

    Czech Academy of Sciences Publication Activity Database

    Kondrat, O.; Popovich, N.; Holomb, R.; Mitsa, V.; Lyamayev, V.; Tsud, N.; Cháb, Vladimír; Matolín, V.; Prince, K. C.

    2012-01-01

    Roč. 358, č. 21 (2012), s. 2910-2916 ISSN 0022-3093 Institutional support: RVO:68378271 Keywords : chalcogenide glass * photostructural changes * photoelectron spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.597, year: 2012

  16. 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.

  17. 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

  18. Quantitative in-depth state analysis by means of x-ray photoelectron spectroscopy and its application to surface Layer of SiC coatings

    International Nuclear Information System (INIS)

    Yabe, Katsumasa; Yamashina, Toshiro.

    1980-01-01

    An attempt of quantitative state analysis was made on the surface and the depth profile of inorganic compounds by X-ray photoelectron spectroscopy (XPS) which was combined by the sputter-etching with argon ions. A masking attachment was designed for an area of sample which is exposed to the non-uniform portion of the ion beam. Uniform sputter-etching could be attained, with the advantages on XPS observation of low background level and less impurity spectra from other origins than the sample. The photoelectron yields were examined for the quantitative analysis by XPS. The method established here was applied to analyze the surface and in-depth composition of SiC coatings onto carbon and molybdenum which are promising candidate materials as the first wall in a controlled thermonuclear reactor. (author)

  19. Annealing induced atomic rearrangements on (Ga,In) (N,As) probed by hard X-ray photoelectron spectroscopy and X-ray absorption fine structure.

    Science.gov (United States)

    Ishikawa, Fumitaro; Higashi, Kotaro; Fuyuno, Satoshi; Morifuji, Masato; Kondow, Masahiko; Trampert, Achim

    2018-04-13

    We study the effects of annealing on (Ga 0.64 ,In 0.36 ) (N 0.045 ,As 0.955 ) using hard X-ray photoelectron spectroscopy and X-ray absorption fine structure measurements. We observed surface oxidation and termination of the N-As bond defects caused by the annealing process. Specifically, we observed a characteristic chemical shift towards lower binding energies in the photoelectron spectra related to In. This phenomenon appears to be caused by the atomic arrangement, which produces increased In-N bond configurations within the matrix, as indicated by the X-ray absorption fine structure measurements. The reduction in the binding energies of group-III In, which occurs concomitantly with the atomic rearrangements of the matrix, causes the differences in the electronic properties of the system before and after annealing.

  20. Direct evaluation of electrical dipole moment and oxygen density ratio at high-k dielectrics/SiO2 interface by X-ray photoelectron spectroscopy analysis

    Science.gov (United States)

    Fujimura, Nobuyuki; Ohta, Akio; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

    2018-04-01

    The electrical dipole moment at an ultrathin high-k (HfO2, Al2O3, TiO2, Y2O3, and SrO)/SiO2 interface and its correlation with the oxygen density ratio at the interface have been directly evaluated by X-ray photoelectron spectroscopy (XPS) under monochromatized Al Kα radiation. The electrical dipole moment at the high-k/SiO2 interface has been measured from the change in the cut-off energy of secondary photoelectrons. Moreover, the oxygen density ratio at the interface between high-k and SiO2 has been estimated from cation core-line signals, such as Hf 4f, Al 2p, Y 3d, Ti 2p, Sr 3d, and Si 2p. We have experimentally clarified the relationship between the measured electrical dipole moment and the oxygen density ratio at the high-k/SiO2 interface.

  1. Reduction of Kondo lattice effects in Yb1-xLuxAl3 observed by soft x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Yamaguchi, J; Sekiyama, A; Imada, S; Yamasaki, A; Tsunekawa, M; Muro, T; Ebihara, T; Onuki, Y; Suga, S

    2007-01-01

    We have carried out the bulk-sensitive and high-resolution soft x-ray photoelectron spectroscopy on Lu substituted intermediate-valence compound Yb 1-x Lu x Al 3 (x = 0.4) at temperatures from 200 to 20 K. The temperature dependences of the bulk Yb 4f photoelectron spectra revealed in our preceding works on high purity YbAl 3 have not been observed in this Lu substituted system. The temperature dependences of the bulk Yb 4f peak positions and the Yb valence in this system can be well reproduced by the single impurity Anderson model (SIAM), whereas the spectral behaviors in YbAl 3 were not at all reproduced by the SIAM. These results confirm the importance of the Kondo lattice effects for YbAl 3 , for which the coherent lattice periodicity plays essential roles

  2. Probing the KII 3p54p fine structure by photoelectron spectroscopy of laser-excited potassium

    International Nuclear Information System (INIS)

    Meyer, M; Cubaynes, D; Wuilleumier, F J; Heinecke, E; Richter, T; Zimmermann, P; Strakhova, S I; Grum-Grzhimailo, A N

    2006-01-01

    Photoelectron spectra of atomic potassium excited by laser optical pumping into the 3p 6 4p 2 P 1/2 and 2 P 3/2 states are measured with high-energy resolution. The relative intensities of the 3p 5 4p fine-structure lines depend strongly on the initial excitation to one of the 4p spin-orbit components. Similar to the case of sodium, dynamically and quasiforbidden transitions are observed in the photoelectron spectra of potassium. The theoretical predictions of the generalized geometrical model are in excellent agreement with the experimental data. (letter to the editor)

  3. Effect of iron oxide reductive dissolution on the transformation and immobilization of arsenic in soils: New insights from X-ray photoelectron and X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Jian-Xin [Key Laboratory of Soil Environment and Pollution Remediation, Institute of Soil Science, Chinese Academy of Sciences, Nanjing 210008 (China); School of River and Ocean Engineering, Chongqing Jiaotong University, Chongqing 400074 (China); Wang, Yu-Jun, E-mail: yjwang@issas.ac.cn [Key Laboratory of Soil Environment and Pollution Remediation, Institute of Soil Science, Chinese Academy of Sciences, Nanjing 210008 (China); Liu, Cun [Key Laboratory of Soil Environment and Pollution Remediation, Institute of Soil Science, Chinese Academy of Sciences, Nanjing 210008 (China); Wang, Li-Hua; Yang, Ke [Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of sciences, Shanghai 201204 (China); Zhou, Dong-Mei, E-mail: dmzhou@issas.ac.cn [Key Laboratory of Soil Environment and Pollution Remediation, Institute of Soil Science, Chinese Academy of Sciences, Nanjing 210008 (China); Li, Wei; Sparks, Donald L. [Environmental Soil Chemistry Group, Delaware Environmental Institute and Department of Plant and Soil Sciences, University of Delaware, Newark, DE 19717-1303 United States (United States)

    2014-08-30

    Graphical abstract: - Highlights: • Immobility and transformation of As on different Eh soils were investigated. • μ-XRF, XANES, and XPS were used to gain As distribution and speciation in soil. • Sorption capacity of As on anaerobic soil was much higher than that on oxic soil. • Fe oxides reductive dissolution is a key factor for As sorption and transformation. - Abstract: The geochemical behavior and speciation of arsenic (As) in paddy soils is strongly controlled by soil redox conditions and the sequestration by soil iron oxyhydroxides. Hence, the effects of iron oxide reductive dissolution on the adsorption, transformation and precipitation of As(III) and As(V) in soils were investigated using batch experiments and synchrotron based techniques to gain a deeper understanding at both macroscopic and microscopic scales. The results of batch sorption experiments revealed that the sorption capacity of As(V) on anoxic soil was much higher than that on control soil. Synchrotron based X-ray fluorescence (μ-XRF) mapping studies indicated that As was heterogeneously distributed and was mainly associated with iron in the soil. X-ray absorption near edge structure (XANES), micro-X-ray absorption near edge structure (μ-XANES) and X-ray photoelectron spectroscopy (XPS) analyses revealed that the primary speciation of As in the soil is As(V). These results further suggested that, when As(V) was introduced into the anoxic soil, the rapid coprecipitation of As(V) with ferric/ferrous ion prevented its reduction to As(III), and was the main mechanism controlling the immobilization of As. This research could improve the current understanding of soil As chemistry in paddy and wetland soils.

  4. Effect of iron oxide reductive dissolution on the transformation and immobilization of arsenic in soils: New insights from X-ray photoelectron and X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Fan, Jian-Xin; Wang, Yu-Jun; Liu, Cun; Wang, Li-Hua; Yang, Ke; Zhou, Dong-Mei; Li, Wei; Sparks, Donald L.

    2014-01-01

    Graphical abstract: - Highlights: • Immobility and transformation of As on different Eh soils were investigated. • μ-XRF, XANES, and XPS were used to gain As distribution and speciation in soil. • Sorption capacity of As on anaerobic soil was much higher than that on oxic soil. • Fe oxides reductive dissolution is a key factor for As sorption and transformation. - Abstract: The geochemical behavior and speciation of arsenic (As) in paddy soils is strongly controlled by soil redox conditions and the sequestration by soil iron oxyhydroxides. Hence, the effects of iron oxide reductive dissolution on the adsorption, transformation and precipitation of As(III) and As(V) in soils were investigated using batch experiments and synchrotron based techniques to gain a deeper understanding at both macroscopic and microscopic scales. The results of batch sorption experiments revealed that the sorption capacity of As(V) on anoxic soil was much higher than that on control soil. Synchrotron based X-ray fluorescence (μ-XRF) mapping studies indicated that As was heterogeneously distributed and was mainly associated with iron in the soil. X-ray absorption near edge structure (XANES), micro-X-ray absorption near edge structure (μ-XANES) and X-ray photoelectron spectroscopy (XPS) analyses revealed that the primary speciation of As in the soil is As(V). These results further suggested that, when As(V) was introduced into the anoxic soil, the rapid coprecipitation of As(V) with ferric/ferrous ion prevented its reduction to As(III), and was the main mechanism controlling the immobilization of As. This research could improve the current understanding of soil As chemistry in paddy and wetland soils

  5. Utilization of the statistics techniques for the analysis of the XPS (X-ray photoelectron spectroscopy) and Auger electronic spectra's deconvolutions

    International Nuclear Information System (INIS)

    Puentes, M.B.

    1987-01-01

    For the analysis of the XPS (X-ray photoelectron spectroscopy) and Auger spectra, it is important to performe the peaks' separation and estimate its intensity. For this purpose, a methodology was implemented, including: a spectrum's filter; b) substraction of the base line (or inelastic background); c) deconvolution (separation of the distribution that integrates the spectrum) and d) error of calculation of the mean estimation, comprising adjustment quality tests. A software (FORTRAN IV plus) that permits to use the methodology proposed from the experimental spectra was implemented. The quality of the methodology was tested with simulated spectra. (Author) [es

  6. Photoelectron spectroscopy in a wide hν region from 6 eV to 8 keV with full momentum and spin resolution

    International Nuclear Information System (INIS)

    Suga, Shigemasa; Tusche, Christian

    2015-01-01

    Highlights: • Full two-dimensional angle resolved photoelectron spectroscopy (2D-ARPES). • Spin-resolved ARPES (SP-ARPES) with very high spin detection efficiency. • Aberration corrected double hemispherical deflection analyzers (HDAs). • Momentum microscopy (M.M.) with high energy and momentum resolutions. • Spin resolved momentum microscopy with capability of micro-nano region detection. - Abstract: High resolution photoelectron spectroscopy is recognized to be a very powerful approach to study surface and bulk electronic structures of various solids by employing different photon energies (hν). In particular, angle resolved photoelectron spectroscopy (ARPES) has progressed dramatically in the last few decades providing useful information on Fermi surface (FS) topology and band dispersions. The information of the electron spin is often decisive to fully understand the electronic properties of many material classes. However, spin-resolved studies by photoelectron spectroscopy were strongly hindered by the low detection efficiency of spin detectors. In the case of surface electronic structures, possible surface degradation with time is a serious problem to discuss intrinsic electronic effects. Therefore rather fast and high efficiency detection is required in the case of surface sensitive spin-resolved ARPES. Two-dimensional (2D) detection is nowadays widely employed in ARPES. In the use of a conventional hemispherical deflection analyzer (HDA), one direction on the 2D detector corresponds to the binding energy E_B and the other direction to the emission angle. The novel concept of momentum microscopy, however, directly provides 2D (k_x,k_y) maps of the photoemission intensities. The reciprocal space image directly represents the cross section through the valence band structure of the sample at a selected energy. By scanning E_B, very high resolution three-dimensional E_B(k_x,k_y) maps of the band-dispersion can be obtained with high efficiency. If

  7. Photoelectron spectroscopy in a wide hν region from 6 eV to 8 keV with full momentum and spin resolution

    Energy Technology Data Exchange (ETDEWEB)

    Suga, Shigemasa, E-mail: ssmsuga@gmail.com [Institute of Scientific and Industrial Research, Osaka University, Osaka (Japan); Max-Planck-Institute für Mikrostrukturphysik, Weinberg 2, 06120 Halle (Germany); Tusche, Christian [Max-Planck-Institute für Mikrostrukturphysik, Weinberg 2, 06120 Halle (Germany)

    2015-04-15

    Highlights: • Full two-dimensional angle resolved photoelectron spectroscopy (2D-ARPES). • Spin-resolved ARPES (SP-ARPES) with very high spin detection efficiency. • Aberration corrected double hemispherical deflection analyzers (HDAs). • Momentum microscopy (M.M.) with high energy and momentum resolutions. • Spin resolved momentum microscopy with capability of micro-nano region detection. - Abstract: High resolution photoelectron spectroscopy is recognized to be a very powerful approach to study surface and bulk electronic structures of various solids by employing different photon energies (hν). In particular, angle resolved photoelectron spectroscopy (ARPES) has progressed dramatically in the last few decades providing useful information on Fermi surface (FS) topology and band dispersions. The information of the electron spin is often decisive to fully understand the electronic properties of many material classes. However, spin-resolved studies by photoelectron spectroscopy were strongly hindered by the low detection efficiency of spin detectors. In the case of surface electronic structures, possible surface degradation with time is a serious problem to discuss intrinsic electronic effects. Therefore rather fast and high efficiency detection is required in the case of surface sensitive spin-resolved ARPES. Two-dimensional (2D) detection is nowadays widely employed in ARPES. In the use of a conventional hemispherical deflection analyzer (HDA), one direction on the 2D detector corresponds to the binding energy E{sub B} and the other direction to the emission angle. The novel concept of momentum microscopy, however, directly provides 2D (k{sub x},k{sub y}) maps of the photoemission intensities. The reciprocal space image directly represents the cross section through the valence band structure of the sample at a selected energy. By scanning E{sub B}, very high resolution three-dimensional E{sub B}(k{sub x},k{sub y}) maps of the band-dispersion can be

  8. Valence band offset of β-Ga2O3/wurtzite GaN heterostructure measured by X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Wei, Wei; Qin, Zhixin; Fan, Shunfei; Li, Zhiwei; Shi, Kai; Zhu, Qinsheng; Zhang, Guoyi

    2012-10-10

    A sample of the β-Ga2O3/wurtzite GaN heterostructure has been grown by dry thermal oxidation of GaN on a sapphire substrate. X-ray diffraction measurements show that the β-Ga2O3 layer was formed epitaxially on GaN. The valence band offset of the β-Ga2O3/wurtzite GaN heterostructure is measured by X-ray photoelectron spectroscopy. It is demonstrated that the valence band of the β-Ga2O3/GaN structure is 1.40 ± 0.08 eV.

  9. 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.

  10. Tuning the Two-Dimensional Electron Gas at Oxide Interfaces with Ti-O Configurations: Evidence from X-ray Photoelectron Spectroscopy

    DEFF Research Database (Denmark)

    Zhang, Yu; Gan, Yulin; Niu, Wei

    2018-01-01

    Chemical redox reaction can lead to a two-dimensional electron gas (2DEG) at the interface between a TiO2-terminated SrTiO3 (STO) substrate and an amorphous LaAlO3 (a-LAO) capping layer. When replacing the STO substrate with rutile and anatase TiO2 substrates, considerable differences...... in interfacial conduction are observed. Based on X-ray photoelectron spectroscopy (XPS) and transport measurements, we conclude that the interfacial conduction comes from redox reactions, and that the differences among the materials systems result mainly from variations in the activation energies...

  11. 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)

    Herbelin, Jean-Marc

    1990-01-01

    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 Cl 36 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 [fr

  12. X-ray photoelectron spectroscopy studies of nitridation on 4H-SiC (0001) surface by direct nitrogen atomic source

    International Nuclear Information System (INIS)

    Chai, J. W.; Pan, J. S.; Zhang, Z.; Wang, S. J.; Chen, Q.; Huan, C. H. A.

    2008-01-01

    A Si 3 N 4 passivation layer has been successfully grown on the 4H-SiC (0001) surface by direct atomic source nitridation at various substrate temperatures. In situ x-ray photoelectron spectroscopy measurements show that higher substrate temperature leads to higher nitridation rate and good crystallinity of the passivation layer. A thin oxynitride layer on the top of the Si 3 N 4 was observed due to the residual O in the vacuum system, but was decomposed during annealing. In the meantime, excess C was found to be effectively removed by the reactive atomic N source

  13. Band offset in zinc oxy-sulfide/cubic-tin sulfide interface from X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sanal, K.C.; Nair, P.K.; Nair, M.T.S., E-mail: mtsn@ier.unam.mx

    2017-02-28

    Highlights: • Zinc oxy-sulfide thin films, 175–240 nm, deposited by rf-sputtering from targets of ZnO + ZnS. • Oxygen content in thin films is enhanced 3–4 times compared with that in ZnO:ZnS targets. • Thin film ZnO{sub x}S{sub 1−x} with x = 0.88–0.27 and optical band gap 2.8–3.2 eV is suitable for solar cells. • The conduction band offset with SnS of cubic structure studied by XPS are +0.41 to −0.28 eV. - Abstract: Zinc oxy-sulfide, ZnO{sub x}S{sub 1−x}, has been found to provide better band alignment in thin film solar cells of tin sulfide of orthorhombic crystalline structure. Here we examine ZnO{sub x}S{sub 1−x}/SnS-CUB interface, in which the ZnO{sub x}S{sub 1−x} thin film was deposited by radio frequency (rf) magnetron sputtering on SnS thin film of cubic (CUB) crystalline structure with a band gap (E{sub g}) of 1.72 eV, obtained via chemical deposition. X-ray photoelectron spectroscopy provides the valence band maxima of the materials and hence places the conduction band offset of 0.41 eV for SnS-CUB/ZnO{sub 0.27}S{sub 0.73} and −0.28 eV for SnS-CUB/ZnO{sub 0.88}S{sub 0.12} interfaces. Thin films of ZnO{sub x}S{sub 1−x} with 175–240 nm in thickness were deposited from targets prepared with different ZnO to ZnS molar ratios. With the target of molar ratio of 1:13.4, the thin films are of composition ZnO{sub 0.27}S{sub 0.73} with hexagonal crystalline structure and with that of 1:1.7 ratio, it is ZnO{sub 0.88}S{sub 0.12}. The optical band gap of the ZnO{sub x}S{sub 1−x} thin films varies from 2.90 eV to 3.21 eV as the sulfur to zinc ratio in the film increases from 0.12:1 to 0.73:1 as determined from X-ray diffraction patterns. Thus, band offsets sought for absorber materials and zinc oxy-sulfide in solar cells may be achieved through a choice of ZnO:ZnS ratio in the sputtering target.

  14. Design and development of a high energy photo-electron spectroscopy beamline on Indus-2 synchrotron radiation source

    International Nuclear Information System (INIS)

    Jagannath; Bhandarkar, V.B.; Pradeep, R.; Sharma, R.K.; Sule, U.S.; Goutam, U.K.; Gadkari, S.C.; Yakhmi, J.V.; Sahni, V.C.

    2007-08-01

    We report on the design and development of a high energy x-ray photo-electron spectroscopy (XPS) beamline for one of the bending magnets (BM-6) at the 2.5 GeV, 3 rd generation Indus-2 synchrotron radiation (SR) source under commissioning at the Raja Ramanna Centre for Advanced Technology, Indore. The beamline (BL) extends up to 40 m in length, and has been designed based on certain criteria such as its working energy range (0.8 - 15.0 keV), the resolution (∼ 10 -4 ), the flux throughput (10 10 -10 11 ), and the requirement of a focused beam at the sample position. Two pairs of identical crystals in the (+1, -1) double crystal monochromator (DCM) geometry, based on beryl (10i0) and Si (111) reflections with their intrinsic resolution of ∼ 10 -4 have been chosen to respectively cover the lower (0.8-2.0 keV) and higher energy (2 - 15.0 keV) ranges of the BL. The DCM has been placed at a distance of 30.0 m from the BM source. The effect of pitch (ΔΘ P ) and roll errors (ΔΘ R ) of the DCM on the vertical and horizontal shifts in the exit beam has been evaluated and minimized to acceptable values (ΔΘ P R < 2 μrad) that correspond to shifts of less than 20 % of the beam width at the sample position. Sagittal focusing has been achieved by bending the 2 nd Si crystal of the DCM in the sagittal direction. A mirror has been placed at 20.0 m from the BM source. The toroidal surface of the mirror substrate (1.2 m long Si crystal) is coated with a thin film of Pt metal (∼ 50 nm), and held at a grazing angle of 9.0 μrad so that it provides high reflectivity in a much wider energy range from 0.8 to 8.0 keV. The effect of mirror surface imperfections, such as the roughness and figure error, on the spot size at its focal position has been evaluated and optimized using a ray-trace program SHADOW. The optimum value for the roughness is found to be 3.0 A, while those for figure errors are found to be 2.0 and 20.0 μrad in the meridional and sagittal directions

  15. Examining the structural evolution of bicarbonate–water clusters: insights from photoelectron spectroscopy, basin-hopping structural search, and comparison with available IR spectral studies

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Hui [Chinese Academy of Sciences (CAS), Hefei (China). Lab. of Atmospheric Physico-Chemistry, Anhui Inst. of Optics & Fine Mechanics; Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division; Hou, Gao-Lei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division; Liu, Yi-Rong [Chinese Academy of Sciences (CAS), Hefei (China). Lab. of Atmospheric Physico-Chemistry, Anhui Inst. of Optics & Fine Mechanics; Wang, Xue-Bin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division; Huang, Wei [Chinese Academy of Sciences (CAS), Hefei (China). Lab. of Atmospheric Physico-Chemistry, Anhui Inst. of Optics & Fine Mechanics; Univ. of Science and Technology of China, Hefei (China). School of Environmental Science & Optoelectronic Technology

    2016-05-31

    Bicarbonate serves a crucial biochemical role in the physiological pH buffering system and also has important atmospheric implications. In the current study, HCO3$-$(H2O)n (n = 0-13) clusters were successfully produced via electrospray ionization of corresponding bulk salt solution, and were characterized by combining negative ion photoelectron spectroscopy and theoretical calculations. The photoelectron spectra reveal that the electron binding energy monotonically increases with the cluster size up to n = 10 and remains largely the same after n > 10. The photo-detaching feature of the solute HCO3$-$itself, which dominates in the small clusters, diminishes with increase of water coverage. Based on the charge distribution and molecular orbital analyses, the universal high electron binding energy tail that dominates in the larger clusters can be attributed to ionization of water. Thus, the transition of ionization from solute to solvent at the size larger than n=10 has been observed. Extensive theoretical structural search based on the Basin-Hopping unbiased method was carried out, and a plethora of low energy isomers have been obtained for each medium and large size. By comparing the simulated photoelectron spectra and calculated electron binding energies with the experiments, as well as by comparing the simulated infrared spectra with previously reported IR spectra, the probable global minima and the structural evolutionary routes are presented. The nature of bicarbonate-water interactions are mainly electrostatic as implied by the electron localization function (ELF) analysis.

  16. Band alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface determined by charge corrected X-ray photoelectron spectroscopy

    Science.gov (United States)

    Yan, Baojun; Liu, Shulin; Yang, Yuzhen; Heng, Yuekun

    2016-05-01

    Pure magnesium (MgO) and zinc oxide doped with aluminum oxide (Zn0.8Al0.2O) were prepared via atomic layer deposition. We have studied the structure and band gap of bulk Zn0.8Al0.2O material by X-ray diffractometer (XRD) and Tauc method, and the band offsets and alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface were investigated systematically using X-ray photoelectron spectroscopy (XPS) in this study. Different methodologies, such as neutralizing electron gun, the use of C 1s peak recalibration and zero charging method, were applied to recover the actual position of the core levels in insulator materials which were easily influenced by differential charging phenomena. Schematic band alignment diagram, valence band offset (ΔEV) and conduction band offset (ΔEC) for the interface of the MgO/Zn0.8Al0.2O heterostructure have been constructed. An accurate value of ΔEV = 0.72 ± 0.11 eV was obtained from various combinations of core levels of heterojunction with varied MgO thickness. Given the experimental band gaps of 7.83 eV for MgO and 5.29 eV for Zn0.8Al0.2O, a type-II heterojunction with a ΔEC of 3.26 ± 0.11 eV was found. Band offsets and alignment studies of these heterojunctions are important for gaining deep consideration to the design of various optoelectronic devices based on such heterointerface.

  17. Localized corrosion evaluation of the ASTM F139 stainless steel marked by laser using scanning vibrating electrode technique, X-ray photoelectron spectroscopy and Mott–Schottky techniques

    International Nuclear Information System (INIS)

    Pieretti, Eurico F.; Manhabosco, Sara M.; Dick, Luís F.P.; Hinder, Steve; Costa, Isolda

    2014-01-01

    Graphical abstract: SEM image of pits found at the centred marked area, where the laser beam focused twice. - Highlights: • The effect of laser engraving on the corrosion resistance of the ASTM F139 was studied. • Scanning vibrating electrode technique was used to identify the anodic zone. • Laser engraving of austenitic stainless steels produces highly defective surfaces. • Laser engraving causes large chemical modification of the surface. • Pitting nucleates at the interface between laser affected and unaffected areas. - Abstract: The effect of laser engraving on the corrosion resistance of ASTM F139 stainless steel (SS) has been investigated by electrochemical techniques. The nucleation of localized corrosion on this biomaterial was evaluated by scanning vibrating electrode technique (SVET) in a phosphate buffered saline solution (PBS) of pH 7.4. The Mott–Schottky approach was used to determine the electronic properties of the passive film, also chemically characterized by X-ray photoelectron spectroscopy (XPS). SVET allowed the identification of the anodic zones on the surface of the SS marked by laser technique that were associated with the heat-affected areas. Metallic drops solidified on the laser marked surface dissolved actively at OCP and favoured the nucleation of crevice corrosion, while at the pitting potential, pits nucleate preferentially on the laser marks. XPS results showed that laser engraving caused large chemical modification of the surface. Mott–Schottky results indicated a more defective oxide layer with a larger number of donors on the laser marked surface comparatively to that without marks

  18. Chemical state analysis of heavily phosphorus-doped epitaxial silicon films grown on Si (1 0 0) by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Lee, Minhyeong; Kim, Sungtae; Ko, Dae-Hong

    2018-06-01

    In this work, we investigated the chemical bonding states in highly P-doped Si thin films epitaxially grown on Si (0 0 1) substrates using high-resolution X-ray photoelectron spectroscopy (HR-XPS). HR-XPS P 2p core-level spectra clearly show spin-orbital splitting between P 2p1/2 and P 2p3/2 peaks in Si films doped with a high concentration of P. Moreover, the intensities of P 2p1/2 and P 2p3/2 peaks for P-doped Si films increase with P concentrations, while their binding energies remained almost identical. These results indicate that more P atoms are incorporated into the substitutional sites of the Si lattice with the increase of P concentrations. In order to identify the chemical states of P-doped Si films shown in XPS Si 2p spectra, the spectra of bulk Si were subtracted from those of Si:P samples, which enables us to clearly identify the new chemical state related to Sisbnd P bonds. We observed that the presence of the two well-resolved new peaks only for the Si:P samples at the binding energy higher than those of a Sisbnd Si bond, which is due to the strong electronegativity of P than that of Si. Experimental findings in this study using XPS open up new doors for evaluating the chemical states of P-doped Si materials in fundamental researches as well as in industrial applications.

  19. Hard X-ray photoelectron spectroscopy study for transport behavior of CsI in heating test simulating a BWR severe accident condition: Chemical effects of boron vapors

    Energy Technology Data Exchange (ETDEWEB)

    Okane, T., E-mail: okanet@spring8.or.jp [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Kobata, M. [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Sato, I. [Oarai Research and Development Center, Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Ibaraki, 311-1393 (Japan); Kobayashi, K. [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Osaka, M. [Nuclear Science and Engineering Center, Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Ibaraki, 311-1393 (Japan); Yamagami, H. [Quantum Beam Science Center, Japan Atomic Energy Agency, 1-1-1 Kouto, Sayo-cho, Hyogo, 679-5148 (Japan); Faculty of Science, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto, 603-8555 (Japan)

    2016-02-15

    Highlights: • We have clarified the temperature-dependent chemical forms of Cs/I products. • We have examined the CsI-decomposing effects of B{sub 2}O{sub 3} vapor. • The possibility of Cs re-evaporation from CsI-deposited surface is suggested. • We have demonstrated the usefulness of HAXPES on FP chemistry. - Abstract: Transport behavior of CsI in the heating test, which simulated a BWR severe accident, was investigated by hard X-ray photoelectron spectroscopy (HAXPES) with an emphasis on the chemical effect of boron vapors. CsI deposited on metal tube at temperatures ranging from 150 °C to 750 °C was reacted with vapor/aerosol B{sub 2}O{sub 3}, and the chemical form of reaction products on the sample surface was examined from the HAXPES spectra of core levels, e.g., Ni 2p, Cs 3d and I 3d levels, and valence band. For the samples at ∼300 °C, while the chemical form of major product on the sample surface without an exposure to B{sub 2}O{sub 3} was suggested to be CsI from the HAXPES spectra, an intensity ratio of Cs/I was dramatically reduced at the sample surface after the reaction with B{sub 2}O{sub 3}. The results suggest the possibility of significant decomposition of deposited CsI induced by the chemical reaction with B{sub 2}O{sub 3} at specific temperatures.

  20. X-ray photoelectron spectroscopy and luminescent properties of Y{sub 2}O{sub 3}:Bi{sup 3+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Jafer, R.M. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, ZA 9300 South Africa (South Africa); Department of Physics, Faculty of Education, University of Khartoum, P.O. Box 321, Postal Code 11115 Omdurman (Sudan); Coetsee, E., E-mail: CoetseeE@ufs.ac.za [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, ZA 9300 South Africa (South Africa); Yousif, A. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, ZA 9300 South Africa (South Africa); Department of Physics, Faculty of Education, University of Khartoum, P.O. Box 321, Postal Code 11115 Omdurman (Sudan); Kroon, R.E.; Ntwaeaborwa, O.M.; Swart, H.C. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, ZA 9300 South Africa (South Africa)

    2015-03-30

    Highlights: • XPS results for high Bi concentration indicated the Bi 4f peaks inside the Y 3d energy range. • XPS also indicated the C{sub 2} and S{sub 6} sites in both Y{sub 2}O{sub 3} and Bi{sub 2}O{sub 3} that results in blue and green luminescence centers. • The false-color CL overlay results also proved the emission of the Bi{sup 3+} ion in the two different sites. - Abstract: X-ray photoelectron spectroscopy (XPS) results provided proof for the blue and green emission of Bi{sup 3+} in the Y{sub 2}O{sub 3}:Bi{sup 3+} phosphor. The Y{sub 2}O{sub 3}:Bi{sup 3+} phosphor was successfully prepared by the combustion process during the investigation of down-conversion materials for Si solar cell application. The X-ray diffraction (XRD) patterns indicated that a single-phase cubic crystal structure with the Ia3 space group was formed. X-ray photoelectron spectroscopy (XPS) showed that the Bi{sup 3+} ion replaces the Y{sup 3+} ion in two different coordination sites in the Y{sub 2}O{sub 3} crystal structure. The O 1s peak shows five peaks, two which correlate with the O{sup 2−} ion in Y{sub 2}O{sub 3} in the two different sites, two which correlate with O{sup 2−} in Bi{sub 2}O{sub 3} in the two different sites and the remaining peak relates to hydroxide. The Y 3d spectrum shows two peaks for the Y{sup 3+} ion in the Y{sub 2}O{sub 3} structure in two different sites and the Bi 4f spectrum shows the Bi{sup 3+} ion in the two different sites in Bi{sub 2}O{sub 3}. The photoluminescence (PL) results showed three broad emission bands in the blue and green regions under ultraviolet excitation, which were also present for panchromatic cathodoluminescence (CL) results. These three peaks have maxima at ∼3.4, 3.0 and 2.5 eV. The PL emission ∼3.0 eV (blue emission) showed two excitation bands centered at ∼3.7 and 3.4 eV while the PL emission at ∼2.5 eV (green emission) showed a broad excitation band from ∼4 to 3.4 eV. The panchromatic CL images were obtained

  1. Analysis of electronic structure of amorphous InGaZnO/SiO2 interface by angle-resolved X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ueoka, Y.; Ishikawa, Y.; Maejima, N.; Matsui, F.; Matsui, H.; Yamazaki, H.; Urakawa, S.; Horita, M.; Daimon, H.; Uraoka, Y.

    2013-01-01

    The electronic structures of amorphous indium gallium zinc oxide (a-IGZO) on a SiO 2 layers before and after annealing were observed by constant final state X-ray photoelectron spectroscopy (CFS-XPS) and X-ray adsorption near-edge structure spectroscopy (XANES). From the results of angle-resolved CFS-XPS, the change in the electronic state was clearly observed in the a-IGZO bulk rather than in the a-IGZO/SiO 2 interface. This suggests that the electronic structures of the a-IGZO bulk strongly affected the thin-film transistor characteristics. The results of XANES indicated an increase in the number of tail states upon atmospheric annealing (AT). We consider that the increase in the number of tail states decreased the channel mobility of AT samples

  2. 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.

  3. Characterization of TiAlN thin film annealed under O2 by in situ time of flight direct recoil spectroscopy/mass spectroscopy of recoiled ions and ex situ x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Tempez, A.; Bensaoula, A.; Schultz, A.

    2002-01-01

    The oxidation of an amorphous TiAlN coating has been studied by in situ direct recoil spectroscopy (DRS) and mass spectroscopy of recoiled ions (MSRI) and ex situ x-ray photoelectron spectroscopy (XPS). DRS and MSRI monitored the changes in surface composition as the sample was heated to 460 deg. C under an 18 O 2 pressure of 10 -6 Torr. Angular resolved XPS data were acquired for thickness-dependence information. The initial surface was partially oxidized from air exposure. Both DRS and XPS showed the Al-rich near surface and the presence of N in the subsurface. As shown by DRS and MSRI, oxidation at elevated temperatures yielded surface nitrogen loss and Ti enrichment. XPS confirmed the preferential formation of TiO 2 on the surface. This study also provides a comparison between the direct recoil (neutrals and ions) and the ionic recoil signals. In our conditions, the negative ionic fraction of all elements except H tracks their true surface content variations given by DRS. The results were compared with early work performed on identical samples. In this case the TiAlN film was oxidized with an O 2 pressure in the mTorr range and the surface changes are followed in situ by positive MSRI and XPS. This experiment also indicates that Al and N are buried under TiO 2 but from 600 deg. C

  4. PHOTOELECTRON-SPECTROSCOPY STUDY OF THE ELECTRONIC-STRUCTURE OF THE INCOMMENSURATE INTERGROWTH COMPOUNDS (SBS)(1.15)(TIS2)(N) WITH N=1, 2

    NARCIS (Netherlands)

    REN, Y; HAAS, C; WIEGERS, GA

    1995-01-01

    The electronic structure of the inorganic misfit-layer compounds (SbS)(1.15)(TiS2)(n) (n = 1,2) has been investigated using x-ray photoemission spectroscopy (XPS), ultraviolet photoemission spectroscopy (UPS) and x-ray absorption spectroscopy (XAS). These compounds are built of alternating modulated

  5. Photoelectron spectroscopy and spectro-microscopy of Pb(Zr,Ti)O{sub 3} (1 1 1) thin layers: Imaging ferroelectric domains with binding energy contrast

    Energy Technology Data Exchange (ETDEWEB)

    Huşanu, Marius A.; Popescu, Dana G.; Tache, Cristian A. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Apostol, Nicoleta G. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Barinov, Alexei; Lizzit, Silvano; Lacovig, Paolo [Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Teodorescu, Cristian M., E-mail: teodorescu@infim.ro [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania)

    2015-10-15

    Graphical abstract: - Highlights: • Achievement of well ordered PZT(1 1 1) surfaces with reasonable low energy electron diffraction patterns and good stoichiometry. • Ability of photoelectron spectromicroscopy to visualize ferroelectric domains with contrast of binding energy. • Model taking into account the influence of photogenerated carriers on the depolarization field and its torque on the polarization vector. • Evidence of domain wall migration induced by photogenerated carriers. • Segregation of metal Pb only on areas with out-of-plane component of the polarization pointing outwards. - Abstract: The ability of photoelectron spectro-microscopy with sub-micrometer lateral resolution to identify ferroelectric domains by analysis of surface band bendings is demonstrated on lead zirco-titanate PZT(1 1 1) thin films grown by pulsed laser deposition. Conventional synchrotron radiation X-ray photoelectron spectroscopy allowed one to derive the surface composition of the sample and evidenced shifts toward higher binding energy when the sample is subject to intense soft X-ray beam. A basic model is developed which supposes that photogenerated carriers reduce the depolarization field, yielding a lower torque applied to the ferroelectric polarization. As a consequence, the out-of-plane component of the polarization increases. Domain migration during irradiation with soft X-ray is inferred from the relative amplitude of the components with different binding energy. When the flux density of soft X-ray is on the order of 10{sup 11} photons/(s μm{sup 2}), metal Pb clusters are formed at the surface on areas with the out-of-plane component of the polarization pointing outwards only.

  6. The hydroxylation of passive oxide films on X-70 steel by dissolved hydrogen studied by nuclear reaction analysis, Auger electron spectroscopy, X-ray photoelectron spectroscopy and secondary ion mass spectroscopy

    International Nuclear Information System (INIS)

    Zhang Chunsi; Luo Jingli; Munoz-Paniagua, David; Norton, Peter R.

    2006-01-01

    Dissolved hydrogen is known to reduce the corrosion resistance of a passive oxide film on iron and its alloys, especially towards pitting corrosion. Electrochemical techniques have been used to show that the passive films are changed by dissolved hydrogen in an alloy substrate, but direct confirmation of the chemical and compositional profiles and changes has been missing. In this paper we report the direct profiling and compositional analysis of the 4 nm passive film on X-70 steel by Auger electron spectroscopy (AES), secondary ion mass spectrometry (SIMS), X-ray photoelectron spectroscopy (XPS) and nuclear reaction analysis (NRA) while hydrogen (deuterium) is charged into the alloy samples from the reverse, unpassivated side. The only route for D to the passive film is therefore by dissolution and diffusion. We show that the original duplex structure of the passive film is converted to a more continuous film containing hydroxyl groups, by reaction with the dissolved hydrogen. This conversion of the oxide ions to hydroxyl groups can lead to more rapid reaction and replacement with (e.g.) Cl - , which is known to enhance pitting. These results are entirely consistent with previous electrochemical studies and provide the first direct confirmation of models on the formation and role of hydroxyl groups derived from these earlier studies

  7. Core-valence coupling in the Ru 4p photoexcitation/Auger decay process: Auger-photoelectron coincidence spectroscopy study

    International Nuclear Information System (INIS)

    Gotter, R.; Siu, W.-K.; Bartynski, R. A.; Hulbert, S. L.; Wu, Xilin; Zitnik, M.; Nozoye, H.

    2000-01-01

    The N 23 VV Auger spectrum of Ru has been measured in coincidence with 4p 1/2 and with 4p 3/2 photoelectrons. Unlike other metals that exhibit bandlike Auger decays, we find that the two Auger spectra are not shifted by the difference in core level binding energies. A consistent description of these transitions and the core level line shape requires consideration of the relativistic multiplet splitting in the intermediate core hole state and two-valence-hole Auger final state. The results suggest that the large linewidth of the 4p levels is primarily due to multiplet splitting, and that an N 2 (N 3 N 45 )N 45 N 45 super-Coster-Kronig transition is only a minor decay channel. (c) 2000 The American Physical Society

  8. 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.

  9. Electronic structure of 2,5,8-tri-tert-butylphenalenyl radical studied by He(I) photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kubota, Mari [School of Medicine, Keio University, Hiyoshi-4, Kohoku, Yokohama 223-8521 (Japan)], E-mail: marik@hc.cc.keio.ac.jp; Kobayashi, Tsunetoshi [School of Medicine, Keio University, Hiyoshi-4, Kohoku, Yokohama 223-8521 (Japan); Kubo, Takashi; Nakasuji, Kazuhiro [Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan)

    2008-09-15

    Phenalenyl radical is an odd-alternant hydrocarbon radical of high symmetry, D{sub 3h} and is extremely attractive as the constituent of molecular magnets. But it has not been characterized in detail. Recently, 2,5,8-tri-tert-butylphenalenyl radical has successfully been synthesized. In this work the gas phase He(I) photoelectron spectrum of this radical has been measured and analyzed with the aid of UHF MO and RHF MO SECI calculations. The first band has been assigned to the ionization from the SO-{pi}-MO of the neutral radical. The second band group has been ascribed to the ionized states relevant to three triplet ionic states and one singlet ionic state of the monocation, the third band group being ascribed to the two singlet ionic states of the monocation.

  10. Valence change detection in memristive oxide based heterostructure cells by hard X-ray photoelectron emission spectroscopy

    Science.gov (United States)

    Kindsmüller, A.; Schmitz, C.; Wiemann, C.; Skaja, K.; Wouters, D. J.; Waser, R.; Schneider, C. M.; Dittmann, R.

    2018-04-01

    The switching mechanism of valence change resistive memory devices is widely accepted to be an ionic movement of oxygen vacancies resulting in a valence change of the metal cations. However, direct experimental proofs of valence changes in memristive devices are scarce. In this work, we have employed hard X-ray photoelectron emission microscopy (PEEM) to probe local valence changes in Pt/ZrOx/Ta memristive devices. The use of hard X-ray radiation increases the information depth, thus providing chemical information from buried layers. By extracting X-ray photoelectron spectra from different locations in the PEEM images, we show that zirconia in the active device area is reduced compared to a neighbouring region, confirming the valence change in the ZrOx film during electroforming. Furthermore, we succeeded in measuring the Ta 4f spectrum for two different resistance states on the same device. In both states, as well as outside the device region, the Ta electrode is composed of different suboxides without any metallic contribution, hinting to the formation of TaOx during the deposition of the Ta thin film. We observed a reduction of the Ta oxidation state in the low resistance state with respect to the high resistive state. This observation is contradictory to the established model, as the internal redistribution of oxygen between ZrOx and the Ta electrode during switching would lead to an oxidation of the Ta layer in the low resistance state. Instead, we have to conclude that the Ta electrode takes an active part in the switching process in our devices and that oxygen is released and reincorporated in the ZrOx/TaOx bilayer during switching. This is confirmed by the degradation of the high resistance state during endurance measurements under vacuum.

  11. Surface and bulk electronic structures of unintentionally and Mg-doped In0.7Ga0.3N epilayer by hard X-ray photoelectron spectroscopy

    Science.gov (United States)

    Imura, Masataka; Tsuda, Shunsuke; Takeda, Hiroyuki; Nagata, Takahiro; Banal, Ryan G.; Yoshikawa, Hideki; Yang, AnLi; Yamashita, Yoshiyuki; Kobayashi, Keisuke; Koide, Yasuo; Yamaguchi, Tomohiro; Kaneko, Masamitsu; Uematsu, Nao; Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi

    2018-03-01

    The surface and bulk electronic structures of In0.7Ga0.3N epilayers are investigated by angle-resolved hard X-ray photoelectron spectroscopy (HX-PES) combined with soft X-PES. The unintentionally and Mg-doped In0.7Ga0.3N (u-In0.7Ga0.3N and In0.7Ga0.3N:Mg, respectively) epilayers are grown by radio-frequency plasma-assisted molecular beam epitaxy. Here three samples with different Mg concentrations ([Mg] = 0, 7 × 1019, and 4 × 1020 cm-3) are chosen for comparison. It is found that a large downward energy band bending exists in all samples due to the formation of a surface electron accumulation (SEA) layer. For u-In0.7Ga0.3N epilayer, band bending as large as 0.8 ± 0.05 eV occurs from bulk to surface. Judged from the valence band spectral edge and numerical analysis of energy band with a surface quantum well, the valence band maximum (VBM) with respect to Fermi energy (EF) level in the bulk is determined to be 1.22 ± 0.05 eV. In contrast, for In0.7Ga0.3N:Mg epilayers, the band bending increases and the VBM only in the bulk tends to shift toward the EF level owing to the Mg acceptor doping. Hence, the energy band is considered to exhibit a downward bending structure due to the coexistence of the n+ SEA layer and Mg-doped p layer formed in the bulk. When [Mg] changes from 7 × 1019 to 4 × 1020 cm-3, the peak split occurs in HX-PES spectra under the bulk sensitive condition. This result indicates that the energy band forms an anomalous downward bending structure with a singular point due to the generation of a thin depleted region at the n+ p interface. For In0.7Ga0.3N:Mg epilayers, the VBM in the bulk is assumed to be slightly lower than EF level within 0.1 eV.

  12. Photoelectron spectroscopy and density functional theory studies of (FeS)mH- (m = 2-4) cluster anions: effects of the single hydrogen.

    Science.gov (United States)

    Yin, Shi; Bernstein, Elliot R

    2017-12-20

    Single hydrogen containing iron hydrosulfide cluster anions (FeS) m H - (m = 2-4) are studied by photoelectron spectroscopy (PES) at 3.492 eV (355 nm) and 4.661 eV (266 nm) photon energies, and by Density Functional Theory (DFT) calculations. The structural properties, relative energies of different spin states and isomers, and the first calculated vertical detachment energies (VDEs) of different spin states for these (FeS) m H - (m = 2-4) cluster anions are investigated at various reasonable theory levels. Two types of structural isomers are found for these (FeS) m H - (m = 2-4) clusters: (1) the single hydrogen atom bonds to a sulfur site (SH-type); and (2) the single hydrogen atom bonds to an iron site (FeH-type). Experimental and theoretical results suggest such available different SH- and FeH-type structural isomers should be considered when evaluating the properties and behavior of these single hydrogen containing iron sulfide clusters in real chemical and biological systems. Compared to their related, respective pure iron sulfur (FeS) m - clusters, the first VDE trend of the diverse type (FeS) m H 0,1 - (m = 1-4) clusters can be understood through (1) the different electron distribution properties of their highest singly occupied molecular orbital employing natural bond orbital analysis (NBO/HSOMO), and (2) the partial charge distribution on the NBO/HSOMO localized sites of each cluster anion. Generally, the properties of the NBO/HSOMOs play the principal role with regard to the physical and chemical properties of all the anions. The change of cluster VDE from low to high is associated with the change in nature of their NBO/HSOMO from a dipole bound and valence electron mixed character, to a valence p orbital on S, to a valence d orbital on Fe, and to a valence p orbital on Fe or an Fe-Fe delocalized valence bonding orbital. For clusters having the same properties for NBO/HSOMOs, the partial charge distributions at the NBO/HSOMO localized sites additionally

  13. Characterization of gate oxynitrides by means of time of flight secondary ion mass spectrometry and x-ray photoelectron spectroscopy. Quantification of nitrogen

    International Nuclear Information System (INIS)

    Ferrari, S.; Perego, M.; Fanciulli, M.

    2002-01-01

    We present a methodology for the quantitative estimation of nitrogen in ultrathin oxynitrides by means of time of flight secondary ion mass spectrometry (TOF-SIMS) and x-ray photoelectron spectroscopy (XPS). We consider an innovative approach to TOF-SIMS depth profiling, by elemental distribution of single species as sum of peaks containing such species. This approach is very efficient in overcoming matrix effect arising when quantifying elements were distributed in silicon and silicon oxide. We use XPS to calibrate TOF-SIMS and to obtain quantitative information on nitrogen distribution in oxynitride thin layers. In the method we propose we process TOF-SIMS and XPS data simultaneously to obtain a quantitative depth profile

  14. Measurement of the valence band-offset in a PbSe/ZnO heterojunction by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li Lin; Qiu Jijun; Weng Binbin; Yuan Zijian; Shi Zhisheng [School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019 (United States); Li Xiaomin; Gan Xiaoyan [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Sellers, Ian R. [Deparment of Physics, University of Oklahoma, Norman, Oklahoma 73019 (United States)

    2012-12-24

    A heterojunction of PbSe/ZnO has been grown by molecular beam epitaxy. X-ray photoelectron spectroscopy was used to directly measure the valence-band offset (VBO) of the heterojunction. The VBO, {Delta}E{sub V}, was determined as 2.51 {+-} 0.05 eV using the Pb 4p{sup 3/2} and Zn 2p{sup 3/2} core levels as a reference. The conduction-band offset, {Delta}E{sub C}, was, therefore, determined to be 0.59 {+-} 0.05 eV based on the above {Delta}E{sub V} value. This analysis indicates that the PbSe/ZnO heterojunction forms a type I (Straddling Gap) heterostructure.

  15. 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.

  16. Interfacial Chemistry-Induced Modulation of Schottky Barrier Heights: In Situ Measurements of the Pt-Amorphous Indium Gallium Zinc Oxide Interface Using X-ray Photoelectron Spectroscopy.

    Science.gov (United States)

    Flynn, Brendan T; Oleksak, Richard P; Thevuthasan, Suntharampillai; Herman, Gregory S

    2018-01-31

    A method to understand the role of interfacial chemistry on the modulation of Schottky barrier heights for platinum and amorphous indium gallium zinc oxide (a-IGZO) interfaces is demonstrated through thermal processing and background ambient pressure control. In situ X-ray photoelectron spectroscopy was used to characterize the interfacial chemistries that modulate barrier heights in this system. The primary changes were a significant chemical reduction of indium, from In 3+ to In 0 , that occurs during deposition of Pt on to the a-IGZO surface in ultrahigh vacuum. Postannealing and controlling the background ambient O 2 pressure allows further tuning of the reduction of indium and the corresponding Schottky barrier heights from 0.17 to 0.77 eV. Understanding the detailed interfacial chemistries at Pt/a-IGZO interfaces may allow for improved electronic device performance, including Schottky diodes, memristors, and metal-semiconductor field-effect transistors.

  17. A quantitative study of valence electron transfer in the skutterudite compound CoP3 by combining x-ray induced Auger and photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Diplas, S; Prytz, Oe; Karlsen, O B; Watts, J F; Taftoe, J

    2007-01-01

    We use the sum of the ionization and Auger energy, the so-called Auger parameter, measured from the x-ray photoelectron spectrum, to study the valence electron distribution in the skutterudite CoP 3 . The electron transfer between Co and P was estimated using models relating changes in Auger parameter values to charge transfer. It was found that each P atom gains 0.24 e - , and considering the unit formula CoP 3 this is equivalent to a donation of 0.72 e - per Co atom. This is in agreement with a recent electron energy-loss spectroscopy study, which indicates a charge transfer of 0.77 e - /atom from Co to P

  18. Characterization of sintered samples of La/Sr/Cu/O by X-ray diffraction, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS)

    International Nuclear Information System (INIS)

    Gonzalez, C.O. de; Polla, Griselda; Manghi, Estela

    1987-01-01

    Samples of La/Sr/Cu/O were sinterized by solid state reaction starting from a nominal composition of La 1 .8, Sr 0 .2, CuO 4 . They presented superconductive properties with T c = 40.9 K (onset) and δ T c = 17 K. Two phases were observed by X-ray diffraction and the more abundant was the tetragonal phase. The mean grain size was 1-5 μm. The X-ray photoelectron spectroscopy measurements were carried out using Mg kα (1486.6 eV) as incident radiation. Sample temperature was varied between -180 deg C and 420 deg C, approximately. The temperature variation produces a change in the atomic concentration of the surface components. Deconvolutions of the O 1s peaks show three components with binding energies (B.E.). The decomposition of Cu 2p 3 /2 peaks presents two components corresponding to Cu + and Cu 2+ . (Author) [es

  19. Surface Analysis of Marine Sulphate-Reducing Bacteria Exo polymers on Steel During Bio corrosion Using X-ray Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Fathul Karim Sahrani; Madzlan Abd. Aziz; Zaharah Ibrahim; Adibah Yahya

    2008-01-01

    The aim of this study was to determine the surface chemistry during bio corrosion process on growth and on the production of exo polymeric substances (EPS) in batch cultures of mix-strains of marine sulphate-reducing bacteria (SRB) isolated from Malaysian Shipyard and Engineering Harbours, Pasir Gudang. The EPS and precipitates were analyzed by x-ray photoelectron spectroscopy (XPS). The XPS results indicate that Fe(2p 3/2 ) spectrum for iron sulphide can be fitted with Fe(II) and Fe(III) components, both corresponding to Fe-S bond types. The absence of oxide oxygen in the O(1s) spectrum and Fe(III)-O bond types in the Fe(2p 3/2 ) spectrum supports the conclusion that iron sulphides are composed of both ferric and ferrous iron coordinated with mono sulphide and disulphide. (author)

  20. 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.