Relevant bibliographies by topics / XAS spectrosopy

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Academic literature on the topic 'XAS spectrosopy'

Author: Grafiati
Published: 4 June 2021
Last updated: 18 February 2022

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Journal articles on the topic "XAS spectrosopy"

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Chantler, Christopher T., M. Tauhidul Islam, Stephen P. Best, Lachlan J. Tantau, Chanh Q. Tran, Mun Hon Cheah, and Andrew T. Payne. "High-accuracy X-ray absorption spectra from mMsolutions of nickel (II) complexes with multiple solutions using transmission XAS." Journal of Synchrotron Radiation 22, no. 4 (June 19, 2015): 1008–21. http://dx.doi.org/10.1107/s1600577515006190.

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A new approach is introduced for determining X-ray absorption spectroscopy (XAS) spectra on absolute and relative scales using multiple solutions with different concentrations by the characterization and correction of experimental systematics. This hybrid technique is a development of standard X-ray absorption fine structure (XAFS) along the lines of the high-accuracy X-ray extended range technique (XERT) but with applicability to solutions, dilute systems and cold cell environments. This methodology has been applied to determining absolute XAS of bis(N-n-propyl-salicylaldiminato) nickel(II) and bis(N-i-propyl-salicylaldiminato) nickel(II) complexes with square planar and tetrahedral structures in 15 mMand 1.5 mMdilute solutions. It is demonstrated that transmission XAS from dilute systems can provide excellent X-ray absorption near-edge structure (XANES) and XAFS spectra, and that transmission measurements can provide accurate measurement of subtle differences including coordination geometries. For the first time, (transmission) XAS of the isomers have been determined from low-concentration solutions on an absolute scale with a 1–5% accuracy, and with relative precision of 0.1% to 0.2% in the active XANES and XAFS regions after inclusion of systematic corrections.
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Sarangi, Ritimukta. "A biological perspective towards a standard for information exchange and reporting in XAS." Journal of Synchrotron Radiation 25, no. 4 (June 27, 2018): 944–52. http://dx.doi.org/10.1107/s1600577518008779.

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The complex structural landscape of biological samples and their sensitivity to X-ray exposure leads to specific challenges in biological X-ray absorption spectroscopy (bio-XAS) research, which in turn has necessitated standardization of various aspects of bio-XAS data measurement, analysis and interpretation. The bio-XAS community is therefore well suited for the development of a data-reporting standard with the specific aim of creating a feedback loop for improving/standardizing data analysis protocols and optionally to make published data available to collaborators/researchers in a meaningful and quantitative format. The XIF (XAFS information file) reporting format presented here contains key experimental and analysis parameters, useful in developing a consistent platform for bio-XAS research worldwide. Such a reporting standard, enforced by the user community and publishing groups alike, can be an important step towards the standardization of data measurement and analysis techniques in bio-XAS.
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Seredin, P. V. "Structural and Optical Investigations of Heterostructures Based on AlxGa1-xAsyP1-y:Si Solid Solutions Obtained by MOCVD." Physics Research International 2014 (July 23, 2014): 1–11. http://dx.doi.org/10.1155/2014/782357.

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We investigated MOCVD epitaxial heterostructures based on AlxGa1−xAs ternary solid solutions, obtained in the range of compositions x~0.20–0.50 and doped with high concentrations of phosphorus and silicon atoms. Using the methods of high-resolution X-ray diffraction, scanning electron microscopy, X-ray microanalysis, Raman spectroscopy, and photoluminescence spectroscopy we have shown that grown epitaxial films represent five-component (AlxGa1−xAs1−yPy)1−zSiz solid solutions. The implementation of silicon in solid solution with a concentration of ~ 0.01 at.% leads to the formation of the structure with deep levels, DX centers, the occurrence of which fundamentally affects the energy characteristics of received materials.
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Hsu, Yu-Chia, Chih-Hao Chiu, Ruishen Yap, Yu-Chien Tseng, and Yong-Pei Wu. "Pyramiding Bacterial Blight Resistance Genes in Tainung82 for Broad-Spectrum Resistance Using Marker-Assisted Selection." International Journal of Molecular Sciences 21, no. 4 (February 14, 2020): 1281. http://dx.doi.org/10.3390/ijms21041281.

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Tainung82 (TNG82) is one of the most popular japonica varieties in Taiwan due to its relatively high yield and grain quality, however, TNG82 is susceptible to bacterial blight (BB) disease. The most economical and eco-friendly way to control BB disease in japonica is through the utilization of varieties that are resistant to the disease. In order to improve TNG82’s resistance to BB disease, five bacterial blight resistance genes (Xa4, xa5, Xa7, xa13 and Xa21) were derived from a donor parent, IRBB66 and transferred into TNG82 via marker-assisted backcrossing breeding. Five BB-resistant gene-linked markers were integrated into the backcross breeding program in order to identify individuals possessing the five identified BB-resistant genes (Xa4, xa5, Xa7, xa13 and Xa21). The polymorphic markers between the donor and recurrent parent were used for background selection. Plants having maximum contribution from the recurrent parent genome were selected in each generation and crossed with the recipient parent. Selected BC3F1 plants were selfed in order to generate homozygous BC3F2 plants. Nine pyramided plants, possessing all five BB-resistant genes, were obtained. These individuals displayed a high level of resistance against the BB strain, XF89-b. Different BB gene pyramiding lines were also inoculated against the BB pathogen, resulting in more than three gene pyramided lines that exhibited high levels of resistance. The five identified BB gene pyramided lines exhibited yield levels and other desirable agronomic traits, including grain quality and palatability, consistent with TNG82. Bacterial blight-resistant lines possessing the five identified BB genes exhibited not only higher levels of resistance to the disease, but also greater yield levels and grain quality. Pyramiding multiple genes with potential characteristics into a single genotype through marker-assisted selection can improve the efficiency of generating new crop varieties exhibiting disease resistance, as well as other desirable traits.
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Fracchia, Martina, Paolo Ghigna, Alberto Vertova, Sandra Rondinini, and Alessandro Minguzzi. "Time-Resolved X-ray Absorption Spectroscopy in (Photo)Electrochemistry." Surfaces 1, no. 1 (December 5, 2018): 138–50. http://dx.doi.org/10.3390/surfaces1010011.

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This minireview aims at providing a complete survey concerning the use of X-ray absorption spectroscopy (XAS) for time-resolved studies of electrochemical and photoelectrochemical phenomena. We will see that time resolution can range from the femto-picosecond to the second (or more) scale and that this joins the valuable throughput typical of XAS, which allows for determining the oxidation state of the investigated element, together with its local structure. We will analyze four different techniques that use different approaches to exploit the in real time capabilities of XAS. These are quick-XAS, energy dispersive XAS, pump & probe XAS and fixed-energy X-ray absorption voltammetry. In the conclusions, we will analyze possible future perspectives for these techniques.
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Tamenori, Yusuke. "Electron yield soft X-ray photoabsorption spectroscopy under normal ambient-pressure conditions." Journal of Synchrotron Radiation 20, no. 3 (March 16, 2013): 419–25. http://dx.doi.org/10.1107/s0909049513003592.

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Ambient-pressure soft X-ray photoabsorption spectroscopy (XAS) was demonstrated to be applicable to the chemical analysis of hydrated transition-metal compounds. For this purpose, even under ambient-pressure conditions, electron yield detection XAS (EY-XAS), based on a simple drain-current set-up, was used to overcome a weakness in fluorescence yield detection XAS (FY-XAS), which does not give a pure soft XAS. The feasibility of EY-XAS was investigated and it was clarified that the EY-XAS under ambient-pressure conditions corresponds to the mixed data of the total EY and conversion EY spectra. Normal ambient-pressure EY-XAS analysis was applied to anhydrous (CoCl2) and to hydrated (CoCl2·6H2O) cobalt chloride at the CoL23-edge. The present measurements demonstrated the ability to unambiguously distinguish the different chemical states of cobalt ions, relying upon spectral differences that indicate octahedral/quasi-octahedral structural changes as a result of hydration/dehydration reactions.
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Uehara, Akihiro, Toshiyuki Fujii, Hajimu Yamana, and Yoshihiro Okamoto. "An in-situ X-ray absorption spectroelectrochemical study of the electroreduction of uranium ions in HCl, HNO3, and Na2CO3 solutions." Radiochimica Acta 104, no. 1 (January 28, 2016): 1–9. http://dx.doi.org/10.1515/ract-2015-2436.

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Ewels, Philip, Thierry Sikora, Virginie Serin, Chris P. Ewels, and Luc Lajaunie. "A Complete Overhaul of the Electron Energy-Loss Spectroscopy and X-Ray Absorption Spectroscopy Database: eelsdb.eu." Microscopy and Microanalysis 22, no. 3 (February 22, 2016): 717–24. http://dx.doi.org/10.1017/s1431927616000179.

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AbstractThe electron energy-loss spectroscopy (EELS) and X-ray absorption spectroscopy (XAS) database has been completely rewritten, with an improved design, user interface, and a number of new tools. The database is accessible at https://eelsdb.eu/ and can now be used without registration. The submission process has been streamlined to encourage spectrum submissions and the new design gives greater emphasis on contributors’ original work by highlighting their papers. With numerous new filters and a powerful search function, it is now simple to explore the database of several hundred EELS and XAS spectra. Interactive plots allow spectra to be overlaid, facilitating online comparison. An application-programming interface has been created, allowing external tools and software to easily access the information held within the database. In addition to the database itself, users can post and manage job adverts and read the latest news and events regarding the EELS and XAS communities. In accordance with the ongoing drive toward open access data increasingly demanded by funding bodies, the database will facilitate open access data sharing of EELS and XAS spectra.
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MATSUSHITA, TOMOHIRA, MASAICHIRO MIZUMAKI, NAOSHI IKEDA, MAKOTO NAKAZAWA, AKANE AGUI, YUJI SAITOH, TAKESHI NAKATANI, AKITAKA YOSHIGOE, and SHIN NAKAMURA. "X-RAY ABSORPTION SPECTROSCOPY IN NaCo2O4, LaCoO3andSrCoO3." Surface Review and Letters 09, no. 02 (April 2002): 1327–31. http://dx.doi.org/10.1142/s0218625x02003755.

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We have performed Co 2p X-ray absorption spectroscopy (XAS) on a mixed valence hexagonal layered system NaCo 2 O 4, which shows large thermopower and metallic conductivity. We also measured XAS for SrCoO 3 and LaCoO 3 as examples of typical Co ionic states. The Co ions of the last two materials are octahedrally surrounded by oxygen atoms. A Co atom in NaCo 2 O 4 also has octahedral coordination with oxygen atoms but it is distorted slightly. The Co ions in SrCoO 3 and LaCoO 3 are in the d5 and d6 configuration respectively. The spectrum of NaCo 2 O 4 resembles that of LaCoO 3 rather than that of SrCoO 3; the Co ions in NaCo 2 O 4 can be regarded as the d6 configuration. Also, we have tried to calculate the XAS spectra by using the charge-transfer multiplet model (CT-M). Although we could not find out the best-fitting parameters, the results suggested the itinerancy of the Co 3d states.
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Martini, Andrea, and Elisa Borfecchia. "Spectral Decomposition of X-ray Absorption Spectroscopy Datasets: Methods and Applications." Crystals 10, no. 8 (August 1, 2020): 664. http://dx.doi.org/10.3390/cryst10080664.

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X-ray absorption spectroscopy (XAS) today represents a widespread and powerful technique, able to monitor complex systems under in situ and operando conditions, while external variables, such us sampling time, sample temperature or even beam position over the analysed sample, are varied. X-ray absorption spectroscopy is an element-selective but bulk-averaging technique. Each measured XAS spectrum can be seen as an average signal arising from all the absorber-containing species/configurations present in the sample under study. The acquired XAS data are thus represented by a spectroscopic mixture composed of superimposed spectral profiles associated to well-defined components, characterised by concentration values evolving in the course of the experiment. The decomposition of an experimental XAS dataset in a set of pure spectral and concentration values is a typical example of an inverse problem and it goes, usually, under the name of multivariate curve resolution (MCR). In the present work, we present an overview on the major techniques developed to realize the MCR decomposition together with a selection of related results, with an emphasis on applications in catalysis. Therein, we will highlight the great potential of these methods which are imposing as an essential tool for quantitative analysis of large XAS datasets as well as the directions for further development in synergy with the continuous instrumental progresses at synchrotron sources.
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Dissertations / Theses on the topic "XAS spectrosopy"

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Seder, Colomina Marina. "Sphaerotilus natans, a neutrophilic iron-related filamentous bacterium : mechanisms of uranium scavenging." Thesis, Paris Est, 2014. http://www.theses.fr/2014PEST1070/document.

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Les métaux lourds et les radionucléides sont présents dans différents écosystèmes du monde à cause de contaminations naturelles ou des activités anthropiques. L’utilisation de micro-organismes pour restaurer ces écosystèmes pollués, processus connu sous le nom de bioremédiation, suscite beaucoup d’intérêt, spécialement aux pH proches de la neutralité. Les minéraux de fer qui encroûtent les bactéries neutrophiles du fer, notamment les Oxydes de Fer Biogéniques (BIOS en anglais), ont une structure très faiblement cristalline, qui en plus de leur grande surface et réactivité font d’eux d’excellents supports pour le piégeage de polluants inorganiques. Dans cette thèse nous avons étudié les différents mécanismes de piégeage de l’uranium uranium par la bactérie neutrophile Sphaerotilus natans, choisie comme modèle bactérien de micro-organismes du fer capables de filamenter en formant des gaines. S. natans peut croître sous forme de cellules individuelles ou formant des filaments. Ces derniers ont été utilisés pour étudier la biosorption d’U(VI) et sa sorption sur les BIOS. De plus, la sorption d’U(VI) sur les analogues abiotiques de ces minéraux de fer a été testée. Afin d’utiliser les filaments de S. natans pour piéger l’U(VI), il était nécessaire d’identifier les facteurs induisant la filamentation de S. natans. L’influence de l’oxygène a été établie en utilisant des techniques de biologie moléculaire et nos résultats ont démontré que tandis qu’en condition d’oxygène saturé elle croît sous forme de cellules individuelles, une diminution modérée d’oxygène à ~ 3 mg O2.L-1 la fait croître sous la forme désirée, des filaments de S. natans.Les BIOS attachés aux filaments de S. natans ainsi que ses analogues abiotiques ont été analysés pas XAS au seuil K du Fe. Les deux matériaux identifiés sont des phosphates de fer(III) amorphes avec une faible proportion de fer(II), qui présentent une réactivité élevée pour le piégeage de polluants inorganiques. L’EXAFS au seuil LIII de l’U a montré la même structure pour les couches O, tandis que celles P, Fe et C étaient différentes en fonction des sorbants. Une étude intégrée qui combine des techniques expérimentales avec des calculs de spéciation a permis de décrire les isothermes d’adsorption de l’U(VI) en utilisant un modèle de complexation de surface. Ces résultats suggèrent que les groupes phosphoryles et carboxyles sont les groupes fonctionnels principaux pour la biosorption d’U(VI) par des filaments de S. natans. Les résultats de cette thèse vont aider à comprendre les processus contrôlant l’immobilisation de l’U(VI), soit par la biosorption sur S. natans, la sorption sur les BIOS ou la sorption sur les phosphates de fer, et en conséquence le devenir de l’U en conditions neutres
Heavy metals and radionuclides are present in some ecosystems worldwide due to natural contaminations or anthropogenic activities. The use of microorganisms to restore those polluted ecosystems, a process known as bioremediation, is of increasing interest, especially under near-neutral pH conditions. Iron minerals encrusting neutrophilic iron-related bacteria, especially Bacteriogenic Iron Oxides (BIOS), have a poorly crystalline structure, which in addition to their large surface area and reactivity make them excellent scavengers for inorganic pollutants. In this PhD work we studied the different mechanisms of uranium scavenging by the neutrophilic bacterium Sphaerotilus natans, chosen as a model bacterium for iron-related sheath-forming filamentous microorganisms. S. natans can grow as single cells and filaments. The latter were used to investigate U(VI) biosorption and U(VI) sorption onto BIOS. In addition, uranium sorption onto the abiotic analogues of such iron minerals was assessed. In order to use S. natans filaments for U(VI) scavenging, it was necessary to identify factors inducing S. natans filamentation. The influence of oxygen was ascertained by using molecular biology techniques and our results revealed that while saturated oxygen conditions resulted in single cell growth, a moderate oxygen depletion to ~ 3 mg O2.L-1 led to the desired filamentous growth of S. natans. BIOS attached to S. natans filaments as well as the abiotic analogues were analysed by XAS at Fe K-edge. Both materials were identified as amorphous iron(III) phosphates with a small component of Fe(II), with a high reactivity towards scavenging of inorganic pollutants. In addition, EXAFS at the U LIII-edge revealed a common structure for the O shells, while those for P, Fe and C were different for each sorbent. An integrated approach combining experimental techniques and speciation calculations made it possible to describe U(VI) adsorption isotherms by using a surface complexation model. These results suggested the role of phosphoryl and carboxyl groups as the main functional groups involved in the U(VI) biosorption by S. natans. The results of this PhD work will help to better understand the processes governing U(VI) immobilization, either by S. natans biosorption, sorption onto BIOS or sorption onto iron phosphates, an thus the fate of uranium in near-neutral pH environments
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Chalker, Paul R. "The oxidation of nickel and titanium studied by XPS and XAES." Thesis, University of Liverpool, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371219.

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Adams, Stephen J. A. "Optical spectroscopy of InxGa1-xAs/GaAs quantum wells." Thesis, Heriot-Watt University, 1992. http://hdl.handle.net/10399/816.

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Vegelius, Johan. "X-ray Spectroscopic Studies of Materials for Nuclear Technology." Doctoral thesis, Uppsala universitet, Mjukröntgenfysik, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-160362.

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X-ray spectroscopic experiments, including X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS), were performed in a large energy range (60-9000 eV) on a variety of systems, probing different elements and orbitals. The systems can preferably be divided into three groups: Actinides, copper systems and amorphous materials. We studied oxidation states of Pu in PuO2 using a closed-source experimental setup, developed by us, to lower the safety restrictions associated with such experiments. The presence of Pu with higher oxidation state than Pu(IV) was found in polycrystalline PuO2. This is an important finding since Pu with higher oxidation states has higher solubility affecting the safety of a proposed undeground repository of spent nuclear fuel which can eventually be infiltrated by groundwater. In the proposed underground repository the molecular oxygen will vanish at some point due to microbial activity and mineral oxidation. At this stage sulfur is the most important candidate for causing copper corrosion. We studied Cu films and foils exposed to sulfide solutions at both Cu L2,3, Cu K and S L2,3 edges and found for example that S L2,3 XES is useful for distinguishing between different copper sulfides and Cu Kβ XES can be used to identify monovalent Cu compounds. Amorphous, zirconium containing alloys are potentially useful materials for future nuclear reactors. The electronic structure of such materials was also investigated.
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Jahel, Ali. "Étude de l'ajout d'un promoteur au système Pt-Sn supporté sur alumine chlorée utilisé en reformage catalytique." Thesis, Montpellier 2, 2010. http://www.theses.fr/2010MON20233.

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L'objectif de ce travail était d'étudier de manière approfondie l'effet de l'indium dans des catalyseurs trimétalliques de reformage catalytique à base de platine, étain et indium. Des catalyseurs ont ainsi été synthétisés selon différents protocoles de préparation et de multiples caractérisations (spectroscopies Mössbauer d'étain, XANES, EXAFS, IR-CO, MEBT, chimisportion du CO, TPR et TPD) ont été mises en oeuvre afin d'élucider l'impact de l'indium sur la nature des phases métalliques présentes au sein du catalyseur. Il a ainsi été montré que la nature des sites métalliques dépend de la méthode d'introduction de l'indium. Quand l'indium est précipité avec la source d'alumine des alliages de type PtxSn sont obtenus alors que lorsque les métaux sont imprégnés sur la surface de l'alumine des espèces subsitutionnelles Pt-Sn sont formées. Il a aussi été montré que l'augmentation de la teneur en indium entraine une augmentation de la concentration atomique d'étain dans les alliage PtxSn et un remplacement de l'étain par l'indium dans les espèces substitutionnelles. Nous avons également réussi à préparer des catalyseurs avec des quantités élevées d'alliage Pt3Sn sur la base des connaissances acquises sur l'impact de l'indium et en déposant l'étain par une réaction organométallique contrôlée de surface. D'un point de vue catalytique, les tests de reformage du n-heptane mettent en évidence l'impact positif de l'indium puisque les catalyseurs à base de Pt-Sn-In sont moins sélectifs pour les réactions parasites d'hydrogénolyse et d'hydrocraquage et plus sélectifs pour l'isomérisation que les catalyseurs à base de Pt-Sn
This work consists of a detailed study on the effect of indium in alumina supported trimetallic PtSnIn-based naphtha reforming catalysts. These catalysts were reproduced using different preparation protocols and the indium effect was investigated using 119Sn Mössbauer spectroscopy, XANES, EXAFS spectroscopies, IR-CO, STEM, CO chemisorption, TPR and TPD. It appears that the nature of the metallic active centres depends on the method with which indium was introduced. When co-precipitating the indium precursor with the Al source, PtxSn alloys were formed, whereas when metals were impregnated on the surface, substitutional Pt-Sn alloys were observed. Increasing the In content in the frst type of catalysts leads to an increase in the Sn concentration in PtxSn alloys, whereas a gradual replacement of Sn by indium in susbstitutinal alloys is observed in the second type of catalysts. These results allowed preparing catalysts with high Pt3Sn alloy contents using the effect of indium in catalysts prepared by Sn organometallic controlled surface reactions (CSR). From a catalytic point of view, n-heptane reforming tests show that trimetallic PtSnIn-based catalysts are less selective to hydrogenolysis and hydrocracking reactions, and highly selective to isomerisation, compared to the bimetallic PtSn-based catalyst
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Wittee, Lopes Christian. "Characterization of metallic species on porous materials by in situ XAS." Doctoral thesis, Universitat Politècnica de València, 2018. http://hdl.handle.net/10251/107953.

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El objetivo de esta tesis es estudiar la agrupación y el crecimiento de especies metálicas confinadas o soportadas en materiales porosos mediante espectroscopia de absorción de rayos X in situ. Para lograrlo, las especies de paladio y plata se han introducido en materiales porosos (¿-alúmina, carbón activo y zeolitas) mediante impregnación vía húmeda y métodos de intercambio iónico, respectivamente. Luego, el agrupamiento de estas especies metálicas se ha controlado mediante tratamientos de activación en diferentes atmósferas (inerte, oxidativa y reductiva) y seguido por XAS de manera detallada. El objetivo principal del trabajo actual es demostrar que tanto XANES como EXAFS pueden proporcionar información valiosa y, en cierto punto, innovadora durante el control de especies metálicas (en términos de tipo y tamaño de las especies). Aprovechando los procedimientos de análisis inusuales, como el análisis de los cumulantes, el ajuste de la parte imaginaria de la transformada de Fourier y otros, es posible obtener información refinada sobre los sistemas investigados. En la sección de introducción, se proporciona una compilación de estudios en los que se ha utilizado XAS como técnica importante para caracterizar especies metálicas en materiales porosos. Conscientes de que las personas pueden usar dicha introducción como base para estudios más complejos en el futuro, la discusión se ha dirigido tentativamente hacia este objetivo. El capítulo 4 se centra en el estudio de la influencia de los precursores de paladio y la naturaleza del soporte en las nanopartículas resultantes. El proceso de activación completo, es decir, la transformación precursor --> nanopartícula, ha sido seguido por XAS in situ. El análisis estuvo compuesto por el punto de partida (material impregnado), calcinación en flujo de O2 y reducción posterior con H2. La consecuencia del uso de diferentes precursores metálicos y soportes se ha discutido en términos del número de coordinación promedio obtenido a partir del análisis de datos de EXAFS, que fue respaldado por técnicas de caracterización de laboratorio. El capítulo 5 está dedicado al estudio de la agrupación de plata durante y después de los tratamientos de activación utilizando zeolitas de poro pequeño intercambiadas con plata como precursores y nanocontenedores. Se ha estudiado la influencia de la estructura y la composición química de los materiales basados en plata sobre las especies metálicas formadas en diferentes condiciones de agrupamiento y redispersión del metal (calcinación usando atmósferas distintas, reducción en H2, redispersión en O2) utilizando métodos de caracterización in situ o ex situ. Después, se discuten las consecuencias catalíticas de las zeolitas que contienen Ag en la reacción de SCO-NH3. En esta sección, la combinación de XAS in situ con varias técnicas de laboratorio ha demostrado ser fundamental para un completo entendimiento del trabajo. Finalmente, una lista de proyectos desarrollados en paralelo a esta tesis se proporciona al final de este documento.
The aim of this thesis is to study the clustering and growth of metallic species either confined or supported in porous materials by in situ X-ray absorption spectroscopy. To accomplish this task, palladium and silver species were introduced into porous materials (¿-alumina, activated carbon and zeolites) by wetness impregnation and ion-exchange methods, respectively. Then, the clustering of these metallic species was controlled by activation treatments in different atmospheres (inert, oxidative and reductive) and followed by XAS in a comprehensive way. The principal goal of current work is to demonstrate that both XANES and EXAFS can provide valuable and, at certain point, innovative information during tuning of metallic species (in terms of type and size). Taking advantage of unusual analysis procedures, such as cumulant approach, fitting of imaginary part of Fourier transform and others, it is possible to obtain refined information about the investigated systems. In the introduction section, a compilation of studies in which XAS was used as important technique to characterize metallic species in porous materials is provided. Conscious that people can use such introduction as a basis for more complex studies in the future, the discussion has been tentatively directed toward this goal. The chapter 4 is focused on the study of the influence of palladium precursors and the nature of support on the resultant nanoparticles. The whole activation process, i.e. the transformation precursor --> nanoparticle, was followed in situ by XAS. The analysis pathway was composed by the starting point (as-impregnated), calcination in O2 flow and posterior reduction with H2. The consequence of using distinct metal precursors and supports were discussed in terms of average coordination number obtained from EXAFS data analysis, which was co-supported by laboratory characterization techniques. The chapter 5 is dedicated to the study of silver clustering during and after activation treatments using Ag-containing small-pore zeolites as precursors and nanocontainers. The influence of framework structure and chemical composition of Ag-based materials on formed Ag species at different clustering and metal redispersion conditions (calcination using distinct atmospheres, reduction in H2, redispersion in O2) were studied using either in situ or ex situ characterization methods. After, the catalytic consequences of tuned Ag-containing zeolites in SCO-NH3 are discussed. In this section, the combination of in situ XAS with several laboratory techniques proved to be pivotal to have a full picture of the investigated system. Finally, a list of projects developed in parallel to this thesis is provided at the end of this document.
L'objectiu d'aquesta tesi és estudiar l'agrupació i el creixement d'espècies metàl·liques confinades o suportades en materials porosos mitjançant espectroscòpia d'absorció de raigs X in situ. Per a això, les espècies de pal·ladi i plata s'han introduït en materials porosos (¿-alúmina, carbó activat i zeolites) per mitjà de la impregnació via humida i mètodes d'intercanvi iònic, respectivament. Una vegada preparats els materials, l'agrupament de les espècies metàl·liques s'ha controlat fent ús de tractaments d'activació en diferents atmosferes (inert, oxidant i reductora) s'ha estudiat exhaustivament per XAS. L'objectiu principal del treball és demostrar que tant el XANES com l'EXAFS proporcionen informació rellevant i, en certa manera, innovadora per al control d'espècies metàl·liques (en termes de tipus i grandària d'aquestes espècies). Fent ús de procediments de tractament de dades no molt habituals com l'anàlisi de cumulants, l'ajust de la part imaginària de la transformada de Fourier i altres, és possible obtenir informació detallada sobre els sistemes estudiats. En l'apartat de la introducció, es proporciona una recopilació d'estudis en els quals s'ha utilitzat XAS com a tècnica principal per a caracteritzar les anomenades espècies metàl·liques en materials porosos. Aquesta introducció ha estat redactada per a que puga servir com a punt de partida per a futurs estudis que requereixen la utilització de XAS per a la caracterització de les espècies metàl·liques presents en els catalitzadors. El capítol 4 es centra en l'estudi de la influència dels precursors de pal·ladi i la naturalesa del suport front a les nanopartícules resultants. El procés d'activació, és a dir, la transformació precursor --> nanopartícula, ha sigut estudiat per XAS in situ. L'anàlisi per XAS va comprendre els següents passos: punt de partida (material impregnat), calcinació en flux d'O2 i reducció posterior amb H2. La utilització de diferents precursors i suports metàl·lics ha permès dur a terme una discussió, referent al nombre de coordinació mitjà obtingut a partir de l'anàlisi de dades de la zona EXAFS, que ha estat recolzat per altres tècniques de caracterització. El capítol 5 s'ha dedicat a l'estudi de l'agrupació de plata intercanviada en els catalitzadors durant i després dels tractaments d'activació. S'han utilitzat zeolites de porus xicotet, com la CHA i RHO, intercanviades amb plata. L'estudi de la influència de l'estructura zeolítica i la composició química dels materials enfront dels diferents tractaments d'activació (calcinació utilitzant diferents atmosferes, reducció en presència d'H2, re-dispersió en atmosfera d'O2) es va realitzar fent ús de mètodes de caracterització in situ o ex situ. A continuació, es discuteix la influència d'aquestes espècies metàl·liques formades, utilitzant els diferents mètodes d'activació, per a la reacció d'SCO-NH3. En aquest sentit, s'ha demostrat que la combinació de XAS in situ amb diverses tècniques habituals de laboratori és fonamental per al desenvolupament d'aquest treball. Finalment, es presenta una llista de projectes, en els quals també s'ha treballat paral·lelament, on s'ha utilitzat XAS com a tècnica de caracterització.
Wittee Lopes, C. (2018). Characterization of metallic species on porous materials by in situ XAS [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/107953
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Zamora, Torres David, and Felix Abeln. "Design of an In-situ cell, for hard X-ray spectroscopy of surfaces used in high-pressure and high-temperature experiments : Design av en In-situ cell för intensiv röntgenspektroskopi i högtryck- högtemperaturexperiment." Thesis, Malmö universitet, Institutionen för materialvetenskap och tillämpad matematik (MTM), 2021. http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-45607.

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This project analyzes how an in-situ cell can be developed to withstand high amounts of pressure and temperature of at least 100 bar and 500 °C. A theoretical prototype will be created as a product for Malmö University and other researchers to use or improve. To make this possible, the five step method was used to present a symmetric geometrical concept for the cell. That geometric concept was designed in PTC Creo (Version 6.0.2.0 & 7.0) in 3D and drawings in 2D. The programs GRANTA EduPack (Version 2020 \& Version 2019) along with Hephaestus was used to determine a material selection that will be able to tolerate temperature, pressure and be at least ten percent transparent, to be able for the X-ray to pass through the material and into the sample. The Finite Element Method (FEM) was used to ensure that the cell adheres to the set values of pressure and not cause a catastrophic failure. The result turn out to be a elliptical three part in-situ cell of boron carbide outer shell, a beryllium main dome and a stainless steel plate for the material sample to be on top. The Finite Element Method also showed that the designed in-situ cells meet the requirements and fulfills the goal and purpose. Further development of safety features and the equipment will be needed to minimise the risk of and dangers of beryllium dust.
Detta projekt analyserar hur en in-situ cell kan utvecklas för att motstå höga mängder tryck och temperatur på minst 100 bar och 500 °C . En teoretisk prototyp kommer att skapas som en produkt för Malmö universitet och andra forskare att använda eller förbättra. För att göra detta möjligt användes femstegsmetoden för att presentera ett symmetriskt och geometriskt koncept för cellen. Det geometriska konceptet kommer att utformas 3-dimensionellt i PTC Creo (Version 6.0.2.0  7.0) och 2-dimensionella ritningar . GRANTA EduPack-programmen (Version 2020 \& Version 2019) tillsammans med Hephaestus användes för att bestämma ett materialval som kommer att kunna tolerera temperatur, tryck och vara minst tio procent transparent för att röntgenstrålningen ska kunna passera genom materialet och in i provet. Finite Element Method (FEM) kommer att användas för att säkerställa att cellen följer de inställda tryckvärdena och inte orsakar katastrofala fel. Resultatet visar sig vara en elliptisk tredelad in-situ cell av borkarbid som ett yttre skal, beryllium som huvudkupol och en rostfri stålplatta som underlag för materialprovet. Finite Element Method visade också att den designade in-situ-cellen uppfyller kraven och därför uppfyller målet och syftet. Detta innebär att vidareutveckling av säkerhetsfunktioner och utrustning kommer att behövas för att minimera risken för berusning från berylliumdammet.
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Davies, Graeme John. "Optically detected X-ray absorption spectroscopy (OD-XAS) study of InGaN/GaN quantum well and quantum dot nanostructures." Thesis, University of Manchester, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.516410.

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InGaN/GaN single quantum well (SQW) and quantum dot (QD) samples were studied using optically detected X-ray absorption spectroscopy (OD-XAS). This is a powerful technique, capable of linking local structural environment information with the luminescence emission processes present. Ga K-edge OD-EXAFS analysis shows this technique to be site-selective for these samples and, from the emission related to the QW or QD structure, a percentage indium value was determined for each sample. Possible reasons why this siteselectivity is observed are considered, along with the implication of the results with respect to the nature of the mechanism responsible for exciton localisation within these structures. Further investigations were performed on the QD sample, including a depth profiling study based on spectra obtained at several different excitation energies and an analysis of the OD-XANES at the N K-edge. The application of pumpprobe micro-imaging OD-XAS to these types of samples is also examined.
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Kristiansen, Paw. "In situ X-Ray Spectroscopy of Ethylene Epoxidation over Ag and studies of Li-ion batteries and Cu sulfidation." Doctoral thesis, Uppsala universitet, Molekyl- och kondenserade materiens fysik, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-209204.

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This thesis is based on experiments applying synchrotron based X-ray Absorption Spectroscopy(XAS) and Resonant Inelastic X-ray Scattering (RIXS) in the soft X-ray region to energy related systems. The main work of this thesis has been to develop a reaction cell that allowed for in situ XAS and RIXS investigations of the partial epoxidation of ethylene over a Ag catalyst at 1 atm and up to 250C. The developed in situ cell can be used in two sample modes: 1) the Ag catalyst is deposited directly onto the vacuum separating membrane with the reaction gases flowing beneath it or 2) a slightly compressed Ag powder sample is at a distance to the vacuum membrane with the reaction gases flowing between the Ag powder sample and the membrane.Both sample modes offers the total florescence yield, TFY, and the total electron yield, TEY, to be recorded simultaneously. By means of the developed in situ cell a number of oxygen species, residing in/on the Ag surface or in the Ag bulk, have been detected. We claim to detect adsorbed O2 under epoxidation conditions, as well as Ag–O–H groups. We are also able to monitor changes of the absorbed oxygen as we change the composition of the reaction gas feed. The first charging cycle of Li-ion batteries have been investigate by ex situ measurements on the cathode Li2-xMnSiO4 and the anode composite LixNi0:5TiOPO4/C . The initial crystalline material becomes amorphous due to lithiation during the first first charging. We find that the redox behaviors of these two states are significantly different. Sulfidation of natural copper oxides are is found to be strongly promoted when it is grown on the host metal by a disproportionation.
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Hung, Wing Wa. "FTIR and XPS of congruent and stoichiometric LiNbO3." HKBU Institutional Repository, 2003. http://repository.hkbu.edu.hk/etd_ra/442.

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Books on the topic "XAS spectrosopy"

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Crist, B. Vincent. Handbook of monochromatic XPS spectra. Chichester: John Wiley, 2000.

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Cultural heritage materials: An XPS approach. New York: Nova Science Publishers, 2012.

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1948-, Briggs D., ed. High resolution XPS of organic polymers: The Scienta ESCA300 database. Chichester [England]: Wiley, 1992.

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An introduction to surface analysis by XPS and AES. Chichester, UK: Wiley, 2004.

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Bunker, Grant. Introduction to XAFS: A practical guide to X-ray absorption fine structure spectroscopy. New York: Cambridge University Press, 2010.

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Surface analysis of polymers by XPS and static SIMS. Cambridge, U.K: Cambridge University Press, 1998.

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Grasserbauer, M. Angewandte Oberflächenanalyse: Mit SIMS Sekundär-Ionen-Massenspektrometrie, AES Auger-Elektronen-Spektrometrie, XPS Röntgen-Photoelektronen-Spektrometrie. Berlin: Springer-Verlag, 1986.

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Moulder, John F. Handbook of x-ray photoelectron spectroscopy: A reference book of standard spectra for identification and interpretation of XPS data. Eden Prairie, Minn: Perkin-Elmer Corporation, Physical Electronics Division, 1992.

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Saffarini, Ghassan. X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), differential scanning calorimetry (DSC) and density study of ternary chalcogenide glasses based on Ge-Se and Ge-S. Uxbridge: Brunel University, 1991.

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High-Resolution XAS/XES: Analyzing Electronic Structures of Catalysts. Taylor & Francis Group, 2014.

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Book chapters on the topic "XAS spectrosopy"

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Filipponi, Adriano, and Paola D’Angelo. "XAS in Liquid Systems." In X-Ray Absorption and X-Ray Emission Spectroscopy, 745–71. Chichester, UK: John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118844243.ch25.

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Smith, Joseph V., and William L. Brown. "Spectroscopy — IR, Raman, NMR, NQR, EPR, NGR (Mössbauer), XAS, EXAFS, ESCA, XPS." In Feldspar Minerals, 244–67. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-72594-4_11.

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Elnaggar, Hebatalla, Pieter Glatzel, Marius Retegan, Christian Brouder, and Amélie Juhin. "X-ray Dichroisms in Spherical Tensor and Green’s Function Formalism." In Springer Proceedings in Physics, 83–130. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-64623-3_4.

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AbstractIn this book chapter, our goal is to provide experimentalists and theoreticians with an accessible approach to the measurement or calculation of X-ray dichroisms in X-ray absorption spectroscopy (XAS). We start by presenting the key ideas of different calculation methods such as density functional theory (DFT) and ligand-field multiplet (LFM) theory and discuss the pros and cons for each approach. The second part of the chapter is dedicated to the expansion of the XAS cross section using spherical tensors for electric dipole and quadrupole transitions. This expansion enables to identify a set of linearly independent spectra that represent the smallest number of measurements (or calculations) to be performed on a sample, in order to extract all spectroscopic information. Examples of the different dichroic effects which can be expected depending on the type of transitions and on the symmetry of the system are then given.
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Lamberti, Carlo, and Jeroen A. van Bokhoven. "Introduction: Historical Perspective on XAS." In X-Ray Absorption and X-Ray Emission Spectroscopy, 1–21. Chichester, UK: John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118844243.ch1.

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Itié, Jean-Paul, François Baudelet, and Jean-Pascal Rueff. "High Pressure XAS, XMCD and IXS." In X-Ray Absorption and X-Ray Emission Spectroscopy, 385–405. Chichester, UK: John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118844243.ch14.

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García, Joaquín, Gloria Subías, and Javier Blasco. "XAS Studies on Mixed Valence Oxides." In X-Ray Absorption and X-Ray Emission Spectroscopy, 459–84. Chichester, UK: John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118844243.ch17.

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Gianolio, Diego. "How to Start an XAS Experiment." In X-Ray Absorption and X-Ray Emission Spectroscopy, 99–124. Chichester, UK: John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118844243.ch5.

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Troć, R. "UTe: X-ray Absorption Spectroscopy (XAS) and Photoelectron Spectroscopy (PES)." In Actinide Monochalcogenides, 891–96. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-47043-4_191.

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Troć, R. "Actinide Monotellurides: X-ray Absorption Spectroscopy (XAS) and Photoelectron Spectroscopy (PES)." In Actinide Monochalcogenides, 866–68. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-47043-4_186.

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Dalba, Giuseppe, and Francesco Rocca. "Xafs Spectroscopy and Glass Structure." In Modern Glass Characterization, 1–44. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2015. http://dx.doi.org/10.1002/9781119051862.ch7.

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Conference papers on the topic "XAS spectrosopy"

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Glatzel, P., M. Sikora, S. G. Eeckhout, O. V. Safonova, G. Smolentsev, G. Pirngruber, J. A. van Bokhoven, J. D. Grunewaldt, and M. Tromp. "Hard X-Ray Photon-In-Photon-Out Spectroscopy with Lifetime Resolution — of XAS, XES, RIXSS and HERFD." In SYNCHROTRON RADIATION INSTRUMENTATION: Ninth International Conference on Synchrotron Radiation Instrumentation. AIP, 2007. http://dx.doi.org/10.1063/1.2436402.

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Glover, C., J. McKinlay, M. Clift, B. Barg, J. Boldeman, M. Ridgway, G. Foran, R. Garret, P. Lay, and A. Broadbent. "Status of the X-Ray Absorption Spectroscopy (XAS) Beamline at the Australian Synchrotron." In X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference. AIP, 2007. http://dx.doi.org/10.1063/1.2644692.

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Reich, Tobias, Tatiana Ye Reich, Samer Amayri, Jakob Drebert, Nidhu L. Banik, Razvan A. Buda, Jens Volker Kratz, and Norbert Trautmann. "Application of XAFS Spectroscopy to Actinide Environmental Science." In X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference. AIP, 2007. http://dx.doi.org/10.1063/1.2644467.

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Geurts, Jean, Jo Finders, O. Kayser, Berhard Opitz, M. Maassen, R. Westphalen, and P. Balk. "Selectively grown InxGa1-xAs and InxGa1-xP structures: locally resolved stoichiometry determination by Raman spectroscopy." In Physical Concepts of Materials for Novel Optoelectronic Device Applications, edited by Manijeh Razeghi. SPIE, 1991. http://dx.doi.org/10.1117/12.24437.

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Younan, Hua, Shen Yue, Chen Yixin, Fu Chao, and Li Xiaomin. "Studies on a Qualification Method (OSSD) for Microchip Al Bondpads." In ISTFA 2015. ASM International, 2015. http://dx.doi.org/10.31399/asm.cp.istfa2015p0295.

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Abstract In authors’ previous paper, an OSAT [Optical, SEM (Scanning Electron Microscopy), Auger (Auger Electron Spectroscopy) and TEM (Transmission Electron Microscopy)] methodology was developed for qualification of microchip aluminum (Al) bondpads. Using the OSAT methodology, one can qualify microchip Al bondpads. In this paper, we will further study the NSOP (Non-Stick On Pad) problem on microchip Al bondpads. A new qualification methodology, OSSD [(Optical, SEM, and Surface and Depth profiling X-ray Photoelectron Spectroscopy (XPS)] will be proposed, in which XPS surface analysis is used to check the contamination level of fluorine and carbon on bondpad surfaces instead of Auger analysis. XPS depth profiling analysis will also be used to measure Al oxide thickness instead of TEM analysis. By using OSSD, Al bondpads can be qualified with both reduced costs and shortened turnaround times versus OSAT.
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Song, J. J., Y. S. Yoon, P. S. Jung, A. Fedotowsky, and Y. B. Kim. "Optical Characterization Of GaAs/AlxGai-xAs Quantum Well Structures And Superlattices By Photoluminescence And Photoexcitation Spectroscopy." In Semiconductor Conferences, edited by Orest J. Glembocki, Fred H. Pollak, and Jin-Joo Song. SPIE, 1987. http://dx.doi.org/10.1117/12.940892.

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Erenburg, Simon. "Determination Of Quantum Dots Structural Parameters By XAFS Spectroscopy." In PHYSICS OF SEMICONDUCTORS: 27th International Conference on the Physics of Semiconductors - ICPS-27. AIP, 2005. http://dx.doi.org/10.1063/1.1994242.

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Wu, LinFeng, Ming Li, J. H. Lee, Jecy Zhou, Chorng Niou, and W. T. Kary Chien. "A Correlation Study between XPS and AES Quantitative Analysis of Nitrogen Concentration in Gate Oxide." In ISTFA 2004. ASM International, 2004. http://dx.doi.org/10.31399/asm.cp.istfa2004p0471.

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Abstract Accurate characterization of the nitrogen concentration and distribution in ultra thin nitrided silicon gate oxide plays the same important role as the fabrication technology itself during the development of 90nm and beyond gate oxide manufacturing process. Based on the measurement results of XPS (X-ray photoelectron spectroscopy) as reference, a correlation study was taken between XPS and AES (Auger electron spectroscopy) data in this paper. The study shows that, by optimizing the experiment conditions of AES such as beam energy, beam current and take off angle, and introducing proper corrective factor, AES can be used as a useful and reliable characterization tool during the monitoring measurement of Nitrogen concentration in ultra thin (<2nm) nitrided silicon gate oxide.
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Chaney, Robert, Robert Cormia, and Ruth Siordia. "X-Ray Photoelectron Spectroscopy (XPS) Applications Using Microfocused X-Rays." In 30th Annual Technical Symposium, edited by Thomas W. Rusch. SPIE, 1986. http://dx.doi.org/10.1117/12.936604.

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Luo, Jian-Shing, Hui-Min Lo, and Jeremy D. Russell. "The Microstructure Evolution of Corrosion Phenomenon on Aluminum Bond Pads." In ISTFA 2005. ASM International, 2005. http://dx.doi.org/10.31399/asm.cp.istfa2005p0266.

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Abstract X-ray photoelectron spectroscopy (XPS) is a very popular tool for identification of the chemical state of fluorine contamination on aluminum (Al) bond pads. To date, as far as the authors are aware the detailed microstructures of fluorine corrosion on bond pads have not been reported. This paper reports the microstructure evolution of fluorine corrosion on bond pads in a plastic box under specific environment conditions by using transmission electron microscopy (TEM), optical microscopy, focused ion beam and scanning electron microscopy (SEM). The elemental distributions and chemical bonding were performed by using Gatan Image Filter/TEM, energy dispersive X-ray/Scanning TEM (STEM), Auger electron spectroscopy and XPS, respectively. On Al pads with 35 atomic %, fluorine residual, corrosion was observed after around 10 days of storage and became more severe with time. The corrosion layers consist of nano-crystalline and amorphous for both single and double-layer structures.
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Reports on the topic "XAS spectrosopy"

1

Wagner, C. D. NIST x-ray photoelectron spectroscopy (XPS) database. Gaithersburg, MD: National Bureau of Standards, 1990. http://dx.doi.org/10.6028/nist.tn.1289.

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2

Huffman, G. P., F. E. Huggins, and N. Shah. Coal liquefaction process streams characterization and evaluation: Investigation of the forms of sulfur in five Wilsonville resid samples by XAFS and moessbauer spectroscopy. Office of Scientific and Technical Information (OSTI), November 1992. http://dx.doi.org/10.2172/6878966.

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3

Huffman, G. P., F. E. Huggins, and N. Shah. Coal liquefaction process streams characterization and evaluation: Investigation of the forms of sulfur in five Wilsonville resid samples by XAFS and moessbauer spectroscopy. Office of Scientific and Technical Information (OSTI), November 1992. http://dx.doi.org/10.2172/10123839.

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