XAS
Scientific Applications
XAS provides essential information about the local atomic geometry and the chemical state of the absorbing atom. The method is element specific and is not restricted to the crystalline phase, but may be used with highly disordered amorphous and liquid samples. The power and versatility of the technique has meant that XAS has increasingly become a valued experimental tool for many, including non-specialist, users from different research areas. A cooperative multidisciplinary scientific program involving ISS and other research groups will be established at ANKA to use XAS to solve scientific questions in the fields of:
Nanomaterials & catalytic systems
There is intense interest in the development of materials with nano-sized dimensions with novel catalytic, energy storage, or macroscopic properties. Research groups from the Forschungszentrum Karlsruhe (FZK) and external institutions focus eg. on H-storage materials based on Ti-clusters, on catalytic systems as nanostructured traps for SOx , and on Ni-doped nano carbon tube systems for tunable magnetic properties. An objective of characterization is to determine the structure and interatomic distances, and the mean oxidation state of atoms in the nanoparticle. The efficiency of new catalytic systems will be studied in-situ by tracking the changes of the chemical state of educts or products using XAS in combination with eg. mass spectrometer.
Environmental Sciences
Contamination of the environment is an inevitable consequence of industrial and domestic processes and presents a health hazard and an limitation to the productive use of land. Currently research is focused on Zn release to soils, a problem even from such seemingly harmless objects as electricity pylons, and on sulfuric acidification of surface waters, which leads to mobilization of toxic metals in mining areas. XAS is an extremely important tool in identifying the nature of toxic metals causing the contamination and, thus allowing remedial strategies to be devised.ausing the contamination and, thus allowing remedial strategies to be devised.
Specifications & Instrumentation
Key Parameters
The XAS beamline spans the energy range from 2.4 to 27 keV. This covers the K-edges from S to Cd, and up to the L-edge of U, enabling speciation studies of catalytically and environmentally important elements like sulfur. The double crystal monochromator design allows exchange of the two parallel mounted Si(111) and Si(311) crystal pairs within minutes. The key parameters of the beamline are summarized in the following table.
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Energy range
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2.4 keV - 27 keV (S K edge, U L-edge, Cd K-edge)
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Energy resolution [ΔE/E]
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Si (111): 2x10-4; Si (311): 1x10-4
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Source
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1.5 T Bending magnet (Ec= 6 keV)
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Optics
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Double crystal monochromator with two sets of Si crystals, MOSTAB, Planar Zerodur mirror to supress higher harmonics at low energies
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Flux at sample position
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Si(111): 1.0x10+10 ph/s/mm2 @ 9 keV (measured at average current 140 mA)
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Beam size at sample
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20 mm (hor) x 2 mm (ver) down to 1 mm x 1 mm, typical 8 mm x 1 mm
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Sample environment
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Closed cycle He-cryostat (15 K - 320 K, 0.1 K accuracy)
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Experimental setup / detectors
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3 Ionization chambers (transmission mode)
2 combined Ionization chambers optimized for XAFS at the low energy range Five element Ge-detector (fluorescence mode) with digital electronic, a view setups:
130 eV average resolution at 24 µs peaking time, max. throughput 6000 count/s 300 eV average resolution at 0.5 µs peaking time, max. throughput 300000 count/s 450 eV average resolution at 0.25 µs peaking time, max. throughput 600000 count/s 50 mm2 Vortex detector (135-280 eV energy resolution) |
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Software / Data treatment / Evaluation
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WINXAS, Viper, XANDA, XAFSmass, GiFeffit, iFeffit, Sixpack, home made data reduction for XANES spectra (linear combination, PCA included)
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Sample environment
Various standard holders are available for transmission and fluorescence measurements:
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for 13 mm pellets and for plates (max. 8 mm thickness, 4 cm length, 5 cm high).
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multisample-holder with 12 positions for transmission and fluorescence measurements. The sample wheel can be adjusted in both directions perpendicular to the beam.
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sample positioning system from Huber is used for grazing incident XAS and for aligment of heavy equipment (includes z-drive, 2 cradles, phi-rotation and a x-drive). Additionally, two Huber slits can be used for the grazing incident measurements.
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closed-cycle helium cryostat with motorized sample holder (3 sample / 15 - 300 K).
Available sample gas-environments include He, N2, Ar, atmosphere, andinert gas (He-cryostat).
Publications since 2015
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Effect of Oxidation on Vivianite Dissolution Rates and Mechanism
Metz, R.; Kumar, N.; Schenkeveld, W. D. C.; Obst, M.; Voegelin, A.; Mangold, S.; Kraemer, S. M.
2024. Environmental Science & Technology, 58 (34), 15321–15332. doi:10.1021/acs.est.4c04809 -
On the Atomic Structure of Monolayer V
Mendoza-Sánchez, B.; Ladole, A. H.; Samperio-Niembro, E.; Mangold, S.; Knapp, M.; Tseng, E. N.; Persson, P. O. Å.; Douard, C.; Shuck, C. E.; Brousse, T.
2024. Energy Storage Materials, 71, 103566. doi:10.1016/j.ensm.2024.103566 -
Tailoring superstructure units for improved oxygen redox activity in Li-rich layered oxide battery’s positive electrodes
Liu, H.; Hua, W.; Kunz, S.; Bianchini, M.; Li, H.; Peng, J.; Lin, J.; Dolotko, O.; Bergfeldt, T.; Wang, K.; Kübel, C.; Nagel, P.; Schuppler, S.; Merz, M.; Ying, B.; Kleiner, K.; Mangold, S.; Wong, D.; Baran, V.; Knapp, M.; Ehrenberg, H.; Indris, S.
2024. Nature Communications, 15 (1), Article no: 9981. doi:10.1038/s41467-024-54312-z -
Formation and transformation of Fe(III)- and Ca-precipitates in aqueous solutions and effects on phosphate retention over time
Nenonen, V. V.; Kaegi, R.; Hug, S. J.; Göttlicher, J.; Mangold, S.; Winkel, L. H. E.; Voegelin, A.
2023. Geochimica et Cosmochimica Acta, 360, 207–230. doi:10.1016/j.gca.2023.09.004 -
Phosphate burial in aquatic sediments: Rates and mechanisms of vivianite formation from mackinawite
Ma, M.; Overvest, P.; Hijlkema, A.; Mangold, S.; McCammon, C.; Voegelin, A.; Behrends, T.
2023. Chemical Engineering Journal Advances, 16, Art.-Nr.: 100565. doi:10.1016/j.ceja.2023.100565 -
Stoichiometry matters: correlation between antisite defects, microstructure and magnetic behavior in the cathode material Li 1− z Ni 1+ z O 2
Goonetilleke, D.; Schwarz, B.; Li, H.; Fauth, F.; Suard, E.; Mangold, S.; Indris, S.; Brezesinski, T.; Bianchini, M.; Weber, D.
2023. Journal of Materials Chemistry A, 11 (25), 13468–13482. doi:10.1039/d3ta01621h -
Phosphorus adsorption on iron‐coated sand under reducing conditions
Barcala, V.; Jansen, S.; Gerritse, J.; Mangold, S.; Voegelin, A.; Behrends, T.
2023. Journal of Environmental Quality, 52 (1), 74–87. doi:10.1002/jeq2.20432 -
Earthworms affect reactive surface area and thereby phosphate solubility in iron-(hydr)oxide dominated soils
Vos, H. M. J.; Hiemstra, T.; Prado Lopez, M.; van Groenigen, J. W.; Voegelin, A.; Mangold, S.; Koopmans, G. F.
2022. Geoderma, 428, Art.-Nr.: 116212. doi:10.1016/j.geoderma.2022.116212 -
Spatiotemporal Mineral Phase Evolution and Arsenic Retention in Microfluidic Models of Zerovalent Iron-Based Water Treatment
Wielinski, J.; Jimenez-Martinez, J.; Göttlicher, J.; Steininger, R.; Mangold, S.; Hug, S. J.; Berg, M.; Voegelin, A.
2022. Environmental Science & Technology, 56 (19), 13696–13708. doi:10.1021/acs.est.2c02189 -
Investigation of Structural and Electronic Changes Induced by Postsynthesis Thermal Treatment of LiNiO
Li, H.; Hua, W.; Schwarz, B.; Etter, M.; Mangold, S.; Melinte, G.; Casati, N. P. M.; Ehrenberg, H.; Indris, S.
2022. Chemistry of Materials, 34 (18), 8163–8177. doi:10.1021/acs.chemmater.2c00995 -
Investigation and Suppression of Oxygen Release by LiNi
Shi, C.-G.; Peng, X.; Dai, P.; Xiao, P.; Zheng, W.-C.; Li, H.-Y.; Li, H.; Indris, S.; Mangold, S.; Hong, Y.-H.; Luo, C.-X.; Shen, C.-H.; Wei, Y.-M.; Huang, L.; Sun, S.-G.
2022. Advanced Energy Materials, 12 (20), Art.-Nr.: 2200569. doi:10.1002/aenm.202200569 -
Multi‐Method Characterization of the High‐Entropy Spinel Oxide Mn
Senkale, S.; Kamp, M.; Mangold, S.; Indris, S.; Kienle, L.; Kremer, R. K.; Bensch, W.
2022. Chemistry–Methods, 3 (2), Art.Nr. e202200043. doi:10.1002/cmtd.202200043 -
Thallium adsorption onto phyllosilicate minerals
Voegelin, A.; Wick, S.; Pfenninger, N.; Mangold, S.; Baeyens, B.; Fernandes, M. M.
2022. Environmental Science: Processes & Impacts, 24 (9), 1343–1359. doi:10.1039/d2em00028h -
Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation
Maurer, F.; Beck, A.; Jelic, J.; Wang, W.; Mangold, S.; Stehle, M.; Wang, D.; Dolcet, P.; Gänzler, A. M.; Kübel, C.; Studt, F.; Casapu, M.; Grunwaldt, J.-D.
2022. ACS catalysis, 12, 2473–2486. doi:10.1021/acscatal.1c04565 -
Retention of Iodide and Chloride by Formation of a Green Rust Solid Solution GR-Cl₁–ₓIₓ: A Multiscale Approach
Platte, T.; Finck, N.; Mangold, S.; Polly, R.; Geckeis, H.
2021. Inorganic chemistry, 60 (14), 10585–10595. doi:10.1021/acs.inorgchem.1c01243 -
X-SPEC: a 70 eV to 15 keV undulator beamline for X-ray and electron spectroscopies
Weinhardt, L.; Steininger, R.; Kreikemeyer-Lorenzo, D.; Mangold, S.; Hauschild, D.; Batchelor, D.; Spangenberg, T.; Heske, C.
2021. Journal of synchrotron radiation, 28 (Part2), 609–617. doi:10.1107/S1600577520016318 -
Phosphoric acid and thermal treatments reveal the peculiar role of surface oxygen anions in lithium and manganese-rich layered oxides
He, J.; Hua, W.; Missiul, A.; Melinte, G.; Das, C.; Tayal, A.; Bergfeldt, T.; Mangold, S.; Liu, X.; Binder, J. R.; Knapp, M.; Ehrenberg, H.; Indris, S.; Schwarz, B.; Maibach, J.
2021. Journal of materials chemistry / A, 9 (1), 264–273. doi:10.1039/D0TA07371G -
Direct Observation of Reductive Coupling Mechanism between Oxygen and Iron/Nickel in Cobalt-Free Li-Rich Cathode Material: An in Operando X-Ray Absorption Spectroscopy Study
Dixon, D.; Mangold, S.; Knapp, M.; Ehrenberg, H.; Bhaskar, A.
2021. Advanced Energy Materials, 11 (24), Art.-Nr. 2100479. doi:10.1002/aenm.202100479 -
Prediction and observation of formation of Ca–Mg arsenates in acidic and alkaline fluids : Thermodynamic properties and mineral assemblages at Jáchymov, Czech Republic and Rotgülden, Austria
Majzlan, J.; Plášil, J.; Dachs, E.; Benisek, A.; Mangold, S.; Škoda, R.; Abrosimova, N.
2021. Chemical geology, 559, Article no: 119922. doi:10.1016/j.chemgeo.2020.119922 -
Thallium and co-genetic trace elements in hydrothermal Fe-Mn deposits of Central Spain
Garrido, F.; Garcia-Guinea, J.; Lopez-Arce, P.; Voegelin, A.; Göttlicher, J.; Mangold, S.; Almendros, G.
2020. The science of the total environment, 717, 137162. doi:10.1016/j.scitotenv.2020.137162 -
In Situ X-ray Diffraction and X-ray Absorption Spectroscopic Studies of a Lithium-Rich Layered Positive Electrode Material: Comparison of Composite and Core-Shell Structures
Ehi-Eromosele, C. O.; Indris, S.; Bramnik, N. N.; Sarapulova, A.; Trouillet, V.; Pfaffman, L.; Melinte, G.; Mangold, S.; Darma, M. S. D.; Knapp, M.; Ehrenberg, H.
2020. ACS applied materials & interfaces, 12 (12), 13852–13868. doi:10.1021/acsami.9b21061 -
The role of soil components in synthetic mixtures during the adsorption and speciation changes of Cr(VI): Conjunction of the modeling approach with spectroscopic and isotopic investigations
Veselská, V.; Šillerová, H.; Göttlicher, J.; Michálková, Z.; Siddique, J. A.; Číhalová, S.; Chrastný, V.; Steininger, R.; Mangold, S.; Komárek, M.
2019. Environment international, 127, 848–857. doi:10.1016/j.envint.2019.03.066 -
In Operando Synchrotron Diffraction and in Operando X-ray Absorption Spectroscopy Investigations of Orthorhombic V 2 O 5 Nanowires as Cathode Materials for Mg-Ion Batteries
Fu, Q.; Sarapulova, A.; Trouillet, V.; Zhu, L.; Fauth, F.; Mangold, S.; Welter, E.; Indris, S.; Knapp, M.; Dsoke, S.; Bramnik, N.; Ehrenberg, H.
2019. Journal of the American Chemical Society, 141 (6), 2305–2315. doi:10.1021/jacs.8b08998 -
Unveiling the Reaction Mechanism during Li Uptake and Release of Nanosized “NiFeMnO4”: Operando X-ray Absorption, X-ray Diffraction, and Pair Distribution Function Investigations
Permien, S.; Hansen, A.-L.; Dinter, J. van; Indris, S.; Neubüser, G.; Kienle, L.; Doyle, S.; Mangold, S.; Bensch, W.
2019. ACS omega, 4 (1), 2398–2409. doi:10.1021/acsomega.8b03276 -
Secondary Fe–As–Tl mineralization in soils near Buus in the Swiss Jura Mountains
Herrmann, J.; Voegelin, A.; Palatinus, L.; Mangold, S.; Majzlan, J.
2018. European journal of mineralogy, 30 (5), 887–898. doi:10.1127/ejm/2018/0030-2766 -
Fully automated beamline control system for XAS beamlines
Mangold, S.
2018. Journal of synchrotron radiation, 25 (4). doi:10.1107/S1600577518007518 -
Observation of Electrochemically Active Fe
Dräger, C.; Sigel, F.; Witte, R.; Kruk, R.; Pfaffmann, L.; Mangold, S.; Mereacre, V.; Knapp, M.; Ehrenberg, H.; Indris, S.
2018. Physical chemistry, chemical physics. doi:10.1039/C8CP06177G -
CAT-ACT—A new highly versatile x-ray spectroscopy beamline for catalysis and radionuclide science at the KIT synchrotron light facility ANKA
Zimina, A.; Dardenne, K.; Denecke, M. A.; Doronkin, D. E.; Huttel, E.; Lichtenberg, H.; Mangold, S.; Pruessmann, T.; Rothe, J.; Spangenberg, T.; Steininger, R.; Vitova, T.; Geckeis, H.; Grunwaldt, J.-D.
2017. Review of scientific instruments, 88 (11), Art. Nr.: 113113. doi:10.1063/1.4999928 -
N-Heterocyclic Carbene Complexes of Iron as Photosensitizers for Light-Induced Water Reduction
Zimmer, P.; Müller, P.; Burkhardt, L.; Schepper, R.; Neuba, A.; Steube, J.; Dietrich, F.; Flörke, U.; Mangold, S.; Gerhards, M.; Bauer, M.
2017. European journal of inorganic chemistry, 2017 (11), 1504–1509. doi:10.1002/ejic.201700064 -
Effect of aging on the structure and phosphate retention of Fe(III)-precipitates formed by Fe(II) oxidation in water
Senn, A.-C.; Kaegi, R.; Hug, S. J.; Hering, J. G.; Mangold, S.; Voegelin, A.
2017. Geochimica et cosmochimica acta, 202, 341–360. doi:10.1016/j.gca.2016.12.033 -
The CAT-ACT Beamline at ANKA : A new high energy X-ray spectroscopy facility for CATalysis and ACTinide research
Zimina, A.; Dardenne, K.; Denecke, M. A.; Grunwaldt, J. D.; Huttel, E.; Lichtenberg, H.; Mangold, S.; Pruessmann, T.; Rothe, J.; Steininger, R.; Vitova, T.
2016. Journal of physics / Conference Series, 712 (1), Art. Nr. 012019. doi:10.1088/1742-6596/712/1/012019 -
New data evaluation procedure including advanced background subtraction for radiography using the example of insect mandibles
Mangold, S.; Kamp, T. van de; Steininger, R.
2016. Journal of physics / Conference Series, 712 (1), 012141. doi:10.1088/1742-6596/712/1/012141 -
Insight into the orientation of LBG polymer films by XANES experiment and calculation
Batchelor, D. R.; Aygül, U.; Dettinger, U.; Ivanovic, M.; Tournebize, A.; Mangold, S.; Forster, M.; Scherf, U.; Peisert, H.; Chassé, T.
2016. European polymer journal, 81 (Okt), 686–693. doi:10.1016/j.eurpolymj.2016.04.005 -
Electronic structure and self-organization properties of low band gap polymers: The effect of the introduction of additional thiophene moieties
Ivanović, M.; Aygül, U.; Dettinger, U.; Tournebize, A.; Polek, M.; Batchelor, D. R.; Mangold, S.; Förster, M. D.; Scherf, U.; Peisert, H.; Chassé, T.
2016. Solar energy materials & solar cells, 157, 286–294. doi:10.1016/j.solmat.2016.05.055 -
Identifying the redox activity of cation-disordered Li-Fe-V-Ti oxide cathodes for Li-ion batteries
Chen, R.; Witte, R.; Heinzmann, R.; Ren, S.; Mangold, S.; Hahn, H.; Hempelmann, R.; Ehrenberg, H.; Indris, S.
2016. Physical chemistry, chemical physics, 18 (11), 7695–7701. doi:10.1039/c6cp00131a -
Composition and structure of Fe(III)-precipitates formed by Fe(II) oxidation in water at near-neutral pH: Interdependent effects of phosphate, silicate and Ca
Senn, A. C.; Kaegi, R.; Hug, S. J.; Hering, J. G.; Mangold, S.; Voegelin, A.
2015. Geochimica et cosmochimica acta, 162, 220–246. doi:10.1016/j.gca.2015.04.032
Publications, pre-2015
| Title | Authors | Journal | Year | Link |
| Improving the rate capability of high voltage Lithium-ion battery cathode material LiNi0.5Mn1.5O4 by ruthenium doping |
N. Kiziltas-Yavuz, A. Bhaskar, D. Dixon, M. Yavuz, K. Nikolowski, L. Lu, R-A. Eichel, H. Ehrenberg |
J. Power Sources 276, 533-541 |
2014 | |
| Stability and resistance of nickel catalysts for hydrodeoxygenation: carbon deposition and effects of sulfur, potassium, and chlorine in the feed |
P.M. Mortensen, D. Gardini, H.W.P. de Carvalho, C.D. Damsgaard, J.-D. Grunwaldt, P.A.Jensen, J.B. Wagner, A.D. Jensen |
Catal. Sci. Technol. 4, 3672-3686 |
2014 | |
| Ageing Effects on Exhaust Gas Catalysts: Microscopic Changes Captured by X-Ray Tomography |
G. Hofmann, A. Rochet, S. Baier, M. Casapu, S. Ritter, F. Wilde, M. Ogurreck, F. Beckmann, J.-D. Grunwaldt |
J. Phys.: Conf. Ser. 499, 012017- |
2014 | |
| Fe and Mn-Based Catalysts Supported on gamma-Al2O3 for CO Oxidation under O2-Rich Conditions*ARTIKEL* |
M. Tepluchin, M. Casapu, A. Boubnov, H. Lichtenberg, D. Wang, S. Kureti, J.-D. Grunwaldt |
ChemCatChem 6 6, 1763-1773 |
2014 | |
| One step flame-made fluorinated Pt/TiO2 photocatalysts for hydrogen production |
G.L.Chiarello, M.V. Dozzi, M. Scavini, J.-D. Grunwaldt, E. Selli |
Appl. Catal. B 160-161,144-151 |
2014 | |
| Molecular orientation in polymer/fullerene blend films and the influence of annealing |
U. Aygül, H. Peisert, D. Batchelor, U. Dettinger, M. Ivanovic, A. Tournebize, S. Mangold, M. Förster, I. Dumsch, S. Kowalski, S. Allard, U. Scherf, T. Chassé |
Solar Energy Materials & Solar Cells, 128, 119–125 |
2014 | |
| Arsenic-rich acid mine water with extreme arsenic concentration: Mineralogy, geochemistry, microbiology, and environmental implications. |
J. Majzlan, J.Plášil, R. Škoda, J. Gescher, F. Kögler, A. Rusznyak, K. Küsel, T.R. Neu, S. Mangold, J. Rothe |
Environ. Sci. Technol. 48, 13685-13693 |
2014 | |
| Competitive Fe(II)−Zn(II) Uptake on a Synthetic Montmorillonite |
D. Soltermann, M. Marques Fernandes, B. Baeyens, J. Miehé-Brendlé, R. Dähn |
Environ. Sci. Technol. 48, 190-198 |
2014 | |
| Bacterial communities in grassland turfs respond to sulphonate addition while fungal communities remain largely unchanged |
A. Schmalenberger, M. Noll |
Eur. J. Soil Biology, http://dx.doi.org/10.1016/j.ejsobi.2013.12.005 |
2014 | |
| Speciation of arsenic in Greek travertines: Co-precipitation of arsenate with calcite |
L. H. E. Winkel, B. Casentini, F. Bardelli, A. Voegelin, N. P. Nikolaidis, L. Charlet |
Geochimica et Cosmochimica Acta 106, 99-110 |
2013 | |
| Dynamic Fe-precipitate formation induced by Fe(II) oxidation in aerated phosphate-containing water |
A. Voegelin, A.-C. Senn, R. Kaegi, S. J. Hug, S. Mangold |
Geochimica et Cosmochimica Acta 117, 216-231 |
2013 | |
| Fe(II) Sorption on a Synthetic Montmorillonite. A Combined Macroscopic and Spectroscopic Study |
D. Soltermann, M. Marques Fernandes, B. Baeyens, R. Dähn, J. Miehé-Brendlé, B. Wehrli, M. H. Bradbury |
Environ. Sci. Technol. 47, 6978-6986 |
2013 | |
| X-ray Spectroscopic Verification of the Active Species in Iron-Catalyzed Cross-Coupling Reactions |
R. Schoch, W. Desens, T. Werner, M. Bauer |
Chemistry - A European Journal 19, 15816-15821 |
2013 | |
| Formation, Operation and Deactivation of Cr Catalysts in Ethylene Tetramerization Directly Assessed by Operando EPR and XAS |
J. Rabeah, M. Bauer, W. Baumann, A. E. C. McConnell, W. F. Gabrielli, P. B. Webb, D. Selent, A. Bruckner |
ACS Catal. 3, 95-102 |
2013 | |
| Electrochemical insertion of Li into nanocrystalline MnFe2O4: a study of the reaction mechanism |
S. Permien, H. Hain, M. Scheuermann, S. Mangold, V. Mereacre, A. K. Powell, S. Indris, U. Schürmann, L. Kienle, V. Duppel, S. Harma, W. Bensch |
RSC Adv. 3, 23001-23014 |
2013 | |
| Structure and magnetic response of a residual metal catalyst in highly purified single walled carbon nanotubes |
B. Pacakova Bittova, M. Kalbac, S. Kubickova, A. Mantlikova, S. Mangold, J. Vejpravova |
Phys. Chem. Chem. Phys. 15, 5992-6000 |
2013 | |
| Arsenic Removal with Composite Iron Matrix Filters in Bangladesh: A Field and Laboratory Study |
A. Neumann, R. Kaegi, A. Voegelin, A. Hussam, A. K. M. Munir, S. J. Hug |
Environ. Sci. Technol. 47, 4544-4554 |
2013 | |
| Arsenic in framboidal pyrite from recent sediments of a shallow water lagoon of the Baltic Sea |
T. Neumann, F. Scholz, U. Kramar, M. Ostermaier, N. Rausch, Z. Berner |
Sedimentology 60, 1389-1404 |
2013 | |
| High throughput data acquisition at the XAS and SUL-X beamline at ANKA |
S. Mangold, R. Steininger, T. Spangenberg |
J. Phys.: Conf. Ser. 430, 012022 |
2013 | |
| Full field spectroscopic imaging at the ANKA-XAS- and -SUL-X-Beamlines |
S. Mangold, R. Steininger, T. dos Santos Rolo, J. Göttlicher |
J. Phys.: Conf. Ser. 430, 012130 |
2013 | |
| Composition-dependent structure of polycrystalline magnetron-sputtered V–Al–C–N hard coatings studied by XRD, XPS, XANES and EXAFS |
B. Krause, S. Darma, M. Kaufholz, S. Mangold, S. Doyle, S. Ulrich, H. Leiste, M. Stüber, T. Baumbach |
J. Appl. Cryst. 46, 1064-1075 |
2013 | |
| Analyzing the Influence of H3PO4 as Catalyst Poison in High Temperature PEM Fuel Cells Using in-operando X-ray Absorption Spectroscopy |
S. Kaserer, K. M. Caldwell, D. E. Ramaker, C. Roth |
J. Phys. Chem. C 117, 6210-6217 |
2013 | |
| Structure of alumina supported vanadia catalysts for oxidative dehydrogenation of propane prepared by flame spray pyrolysis |
M. Høj, A. D. Jensen, J.-D. Grunwaldt |
Applied Catalysis A: General 451, 207-215 |
2013 | |
| Temperature-dependent formation of metallic copper and metal sulfide nanoparticles during flooding of a contaminated soil |
A. F. Hofacker, A. Voegelin, R. Kaegi, F.-A. Weber, R. Kretzschmar |
Geochimica et Cosmochimica Acta 103, 316-332 |
2013 | |
| Mercury Mobilization in a Flooded Soil by Incorporation into Metallic Copper and Metal Sulfide Nanoparticles |
A. F. Hofacker, A. Voegelin, R. Kaegi, R. Kretzschmar |
Environ. Sci. Technol. 47, 7739-7746 |
2013 | |
| Time-resolved combined XAS and UV-Vis applied to the study of the cerium catalysed BZ reaction |
M. Hagelstein, T. Liu, S. Mangold, M. Bauer |
J. Phys.: Conf. Ser. 430, 012123 |
2013 | |
| Potential and Limitations of Natural Chabazite for Selective Catalytic Reduction of NOx with NH3 |
T. Günter, M. Casapu, D. Doronkin, S. Mangold, V. Trouillet, T. Augenstein, J.-D. Grunwaldt |
Chemie Ingenieur Technik 85, 632-641 |
2013 | |
| Imaging Catalysts at Work: A Hierarchical Approach from the Macro- to the Meso- and Nano-scale |
J.-D. Grunwaldt, J. B. Wagner, R. E. Dunin-Borkowski |
Chem. Cat. Chem. 5, 62-80 |
2013 | |
| Redox Properties of Structural Fe in Clay Minerals: 3. Relationships between Smectite Redox and Structural Properties |
C. A. Gorski, L. E. Klupfel, A. Voegelin, M. Sander, T. B. Hofstetter |
Environ. Sci. Technol. 47, 13477-13485 |
2013 | |
| Fluid phase equilibria during propylene carbonate synthesis from propylene oxide in carbon dioxide medium |
L. Gharnati, N. E. Musko, A. D. Jensen, G. M. Kontogeorgis, J.-D. Grunwaldt |
J. of Supercritical Fluids 82, 106-115 |
2013 | |
| Redox transformation, solid phase speciation and solution dynamics of copper during soil reduction and reoxidation as affected by sulfate availability |
B. Fulda, A. Voegelin, K. Ehlert, R. Kretzschmar |
Geochimica et Cosmochimica Acta 123, 385-402 |
2013 | |
| Copper Redox Transformation and Complexation by Reduced and Oxidized Soil Humic Acid. 1. X-ray Absorption Spectroscopy Study |
B. Fulda, A. Voegelin, F. Maurer, I. Christl, R. Kretzschmar |
Environ. Sci. Technol. 47, 10903-10911 |
2013 | |
| Abgasnachbehandlung in mobilen Systemen: Stand der Technik, Herausforderungen und Perspektiven |
O. Deutschmann, J.-D. Grunwaldt |
Chemie Ingenieur Technik 85, 595–617 |
2013 | |
| Structural Evolution of Li2Fe1-yMnySiO4 (y = 0, 0.2, 0.5, 1) Cathode Materials for Li-Ion Batteries upon Electrochemical Cycling |
R. Chen, R. Heinzmann, S. Mangold, V.S. K. Chakravadhanula, H. Hahn, S. Indris |
J. Phys. Chem. C 117, 884-893 |
2013 | |
| Experimental Test of Data Analysis Methods from Staggered Pair X-ray Beam Position Monitors at Bending Magnet Beamlines |
G. Buth, E. Huttel, S. Mangold, R. Steininger, D. Batchelor, S. Doyle, R. Simon |
J. Phys.: Conf. Ser. 425, 042004 |
2013 | |
| Structure and reducibility of a Fe/Al2O3 catalyst for selective catalytic reduction studied by Fe K-edge XAFS spectroscopy |
A. Boubnov, H. Lichtenberg, S. Mangold, J.-D. Grunwaldt |
J. Phys.: Conf. Ser. 430, 012054 |
2013 | |
| Oscillatory CO Oxidation Over Pt/Al2O3 Catalysts Studied by In situ XAS and DRIFTS |
A. Boubnov, A. Gänzler, S. Conrad, M. Casapu, J.-D. Grunwaldt |
Top. Catal. 56, 333-338 |
2013 | |
| Structural Incorporation of As5+ into Hematite |
R. M. Bolanz, M. Wierzbicka-Wieczorek, M. Čaplovičová, P. Uhlík, J. Göttlicher, R. Steininger, J. Majzlan |
Environ. Sci. Technol. 47, 9140-9147 |
2013 | |
| Evidence and Consequences of Ce4+ in LYSO:Ce,Ca and LYSO:Ce,Mg Single Crystals for Medical Imaging Applications |
S. Blahuta, A. Bessière, B. Viana, P. Dorenbos, V. Ouspenski |
IEEE Transact. Nucl. Sci. 60, 3134-3141 |
2013 | |
| Cobalt binding in the photosynthetic bacterium R. sphaeroides by X-ray absorption spectroscopy |
B. D. Belviso, F. Italiano, R. Caliandro, B. Carrozzini, A. Costanza, M. Trotta |
BioMetals 26, 693-703 |
2013 | |
| 2,6-Bis(5,6-dipropyl-1,2,4-triazin-3-yl)-pyridine: Structures of An(III) and Ln(III) 1:3 complexes and selectivity |
N. L. Banik, M. A. Denecke, A. Geist, G. Modolo, P. J. Panak, J. Rothe |
Inorg. Chem. Comm. 29, 172-174 |
2013 | |
| Sulphur speciation in lazurite-type minerals (Na,Ca)8[Al6Si6O24](SO4,S)2 and their annealing products: a comparative XPS and XAS study |
V. L. Tauson, J. Göttlicher, A. N. Sapozhnikov, S. Mangold, E. E. Lustenberg |
European Journal of Mineralogy 24 (2012) 133-152 |
2012 | |
| New insights into the formation and burial of Fe/Mn accumulations in Lake Baikal sediments |
L. M. Och, B. Müller, A. Voegelin, A. Ulrich, J. Göttlicher, R. Steininger, S. Mangold, Vologina E.G., M. Sturm |
Chemical Geology 330 (2012) 244-259 |
2012 | |
| Crystal structure of iron-oxide nanoparticles synthesized from ferritin |
M. Krispin, A. Ullrich, S. Horn |
Journal of Nanoparticle Research 14 (2012) 669-1-11 |
2012 | |
| Oxido-pincer complexes of copper(II) - An EXAFS and EPR study of mono- and binuclear [(pydotH2)CuCl2]n (n = 1 or 2) |
A. Klein, K. Butsch, S. Elmas, C. Biewer, D. Heift, S. Nitsche, I. Schlipf, H. Bertagnolli |
Polyhedron 31 (2012) 649-656 |
2012 | |
| Water Oxidation with Molecularly Defined Iridium Complexes: Insights into Homogeneous versus Heterogeneous Catalysis |
H. Junge, N. Marquet, A. Kammer, S. Denurra, M. Bauer, S. Wohlrab, F. Gärtner, M.-M. Pohl, A. Spannenberg, S. Gladiali, M. Beller |
Chemistry - A European Journal 18 (2012) 12749-12758 |
2012 | |
| Benign Catalysis with Iron: Unique Selectivity in Catalytic Isomerization Reactions of Olefins |
R. Jennerjahn, R. Jackstell, I. Piras, R. Franke, H. Jiao, M. Bauer, M. Beller |
ChemSusChem 5 (2012) 734-739 |
2012 | |
| Redox Properties of Structural Fe in Clay Minerals. 2. Electrochemical and Spectroscopic Characterization of Electron Transfer Irreversibility in Ferruginous Smectite, SWa-1 |
C. A. Gorski, L. Klüpfel, A. Voegelin, M. Sander, T. B. Hofstetter |
Environmental Science & Technology 46 (2012) 9369-9377 |
2012 | |
| Manganese Oxidation Induced by Water Table Fluctuations in a Sand Column |
C. E. Farnsworth, A. Voegelin, J. G. Hering |
Environmental Science & Technology 46 (2012) 277-284 |
2012 | |
| Paramagnetic Palladacycles with Pd-III Centers Are Highly Active Catalysts for Asymmetric Aza-Claisen Rearrangements |
S. H. Eitel, M. Bauer, D. Schweinfurth, N. Deibel, B. Sarkar, H. Kelm, H.-J. Krüger, W. Frey, R. Peters |
Journal of the American Chemical Society 134 (2012) 4683-4693 |
2012 | |
| Synthesis of selenium doted pyrite single crystals prepared by chemical vapor transport |
A. Diener, R. Köppe |
Journal of Crystal Growth 349 (2012) 55-60 |
2012 | |
| Structure of selenium incorporated in pyrite and mackinawite as determined by XAFS analyses |
A. Diener, T. Neumann, U. Kramar, D. Schild |
Journal of Contaminant Hydrology 133 (2012) 30-39 |
2012 | |
| New spinel oxide catalysts for visible-light-driven water oxidation |
F. Conrad, M. Bauer, D. Sheptyakov, S. Weyeneth, D. Jaeger, K. Hametner, P.-E. Car, J. Patscheider, D. Günther, G. R. Patzke |
RSC Advances 2 (2012) 3076-3082 |
2012 | |
| Synthesis and Characterization of Vanadium-Doped LiMnPO4-Compounds: LiMn(PO4)x(VO4)1-x (0.8 <= x <= 1.0) |
O. Clemens, M. Bauer, R. Haberkorn, M. Springborg, H. P. Beck |
Chemistry of Materials 24 (2012) 4717-4724 |
2012 | |
| Structure-activity relationships of Pt/Al2O3 catalysts for CO and NO oxidation at diesel exhaust conditions |
A. Boubnov, S. Dahl, E. Johnson, A. P. Molina, S. B. Simonsen, F. M. Cano, S. Helveg, L. J. Lemus-Yegres, J.-D. Grunwaldt |
Applied Catalysis B: Environmental 126 (2012) 315-325 |
2012 | |
| Molecular Orientation in Polymer Films for organic solar cells studied by NEXAFS |
U. Aygül, D. Batchelor, U. Dettinger, S. Yilmaz, S. Allard, U. Scherf, H. Peisert, T. Chassé |
Journal of Physical Chemistry C 116 (2012) 4870-4874 |
2012 | |
| Time-Dependent Changes of Zinc Speciation in Four Soils Contaminated with Zincite or Sphalerite |
A. Voegelin, O. Jacquat, S. Pfister, K. Barmettler, A. C. Scheinost, R. Kretzschmar |
Environmental Science & Technology 45 (2011) 255-261 |
2011 | |
| Characterization of main sulfur source of wood-degrading basidiomycetes by S K-edge X-ray absorption near edge spectroscopy (XANES) |
A. Schmalenberger, W. Pritzkow, J. J. Ojeda, M. Noll |
International Biodeterioration & Biodegradation 65 (2011) 1215-1223 |
2011 | |
| Wet-Chemical Synthesis of Nanoscale Iron Boride, XAFS Analysis and Crystallisation to alpha-FeB |
S. Rades, A. Kornowski, H. Weller, B. Albert |
ChemPhysChem 12 (2011) 1756-1760 |
2011 | |
| Heterogeneously Catalysed Aldol Reactions in Supercritical Carbon Dioxide as Innovative and Non-Flammable Reaction Medium |
N. E. Musko, J.-D. Grunwaldt |
Topics in Catalysis 54 (2011) 1115-1123 |
2011 | |
| Redox properties of supported copper catalysts studied in liquid and gas phase by in situ ATR-IR and XAS |
C. Mondelli, D. Ferri, J.-D. Grunwaldt, N. Ravasio, A. Baiker |
Catalysis Today 178 (2011) 124-131 |
2011 | |
| Assessment of chemical species of lead accumulated in tidemarks of human articular cartilage by X-ray absorption near-edge structure analysis |
F. Meirer, B. Pemmer, G. Pepponi, N. Zoeger, P. Wobrauscheck, S. Sprio, A. Tampieri, J. Goettlicher, R. Steininger, S. Mangold, P. Roschger, A. Berzlanovich, J. G. Hofstaetter, C. Streli |
Journal of Synchrotron Radiation 18 (2011) 238-244 |
2011 | |
| Amine-capped gold nanoparticles: reaction steps during the synthesis and the influence of the ligand on the particle size |
B. Marchetti, Y. Joseph, H. Bertagnolli |
Journal of Nanoparticle Research 13 (2011) 3353-3362 |
2011 | |
| Uptake of Eu(III) by 11 Å tobermorite and xonotlite: A TRLFS and EXAFS study |
P. Mandaliev, Th. Stumpf, J. Tits, R. Dähn, C. Walther, E. Wieland |
Geochimica et Cosmochimica Acta 75 (2011) 2017-2029 |
2011 | |
| Iron speciation and isotope fractionation during silicate weathering and soil formation in an alpine glacier forefield chronosequence |
M. Kiczka, J. G. Wiederhold, J. Frommer, A. Voegelin, S. M. Kraemer, B. Bourdon, R. Kretzschmar |
Geochimica et Cosmochimica Acta 75 (2011) 5559-5573 |
2011 | |
| Speciation of Copper in Enriched Agricultural Lime |
M. Kersten, T. Y. Reich, K. H. Liu, G. T. Schmidt, J. Goettlicher |
Soil Science Society of America Journal 75 (2011) 509-520 |
2011 | |
| Origin of high Zn contents in Jurassic limestone of the Jura mountain range and the Burgundy: evidence from Zn speciation and distribution |
O. Jacquat, C. Rambeau, A. Voegelin, N. Efimenko, A. Villard, K. B. Föllmi, R. Kretzschmar |
Swiss Journal of Geosciences 104 (2011) 409-424 |
2011 | |
| Quasi in situ Mössbauer and XAS studies on FeB nanoalloy for heterogeneous catalytic dehydrogenation of ammonia borane |
T. He, J. Wang, T. Liu, G. Wu, Z. Xiong, J. Yin, H. Chu, T. Zhang, P. Chen |
Catalysis Today 170 (2011) 69-75 |
2011 | |
| Biogeochemical processes and arsenic enrichment around rice roots in paddy soil: results from micro-focused X-ray spectroscopy |
J. Frommer, A. Voegelin, J. Dittmar, M. A. Marcus, R. Kretzschmar |
European Journal of Soil Science 62 (2011) 305-317 |
2011 | |
| Nickel geochemistry of a Philippine laterite examined by bulk and microprobe synchrotron analyses |
R. Fan, A. R. Gerson |
Geochimica et Cosmochimica Acta 75 (2011) 6400-6415 |
2011 | |
| Characterization of zinc in contaminated soils: complementary insights from isotopic exchange, batch extractions and XAFS spectroscopy |
F. Degryse, A. Voegelin, O. Jacquat, R. Kretzschmar, E. Smolders |
European Journal of Soil Science 62 (2011) 318-330 |
2011 | |
| On the Existence of LiFeVO4 - Tales and Imagination |
O. Clemens, M. Bauer, R. Haberkorn, H. Ph. Beck |
Zeitschrift für anorganische und allgemeine Chemie 637 (2011) 1036-1044 |
2011 | |
| Insights into the Induced Ultrafast Electron Delocalization in Fe(CO)5 Using Dark Channel Fluorescence Yield X-Ray Absorption |
M. Bauer, T. Stalinski, E. F. Aziz |
ChemPhysChem 12 (2011) 2088-2091 |
2011 | |
| Temperature Dependence and Coupling of Iron and Arsenic Reduction and Release during Flooding of a Contaminated Soil |
F.-A. Weber, A. F. Hofacker, A. Voegelin, R. Kretzschmar |
Environmental Science & Technology 44 (2010) 116-122 |
2010 | |
| Effect of phosphate, silicate, and Ca on Fe(III)-precipitates formed in aerated Fe(II)- and As(III)-containing water studied by X-ray absorption spectroscopy |
A. Voegelin, R. Kaegi, J. Frommer, D. Vantelon, S. J. Hug |
Geochimica et Cosmochimica Acta 74 (2010) 164-186 |
2010 | |
| Solving mercury (Hg) speciation in soil samples by synchrotron X-ray microspectroscopic techniques |
R. Terzano, A. Santoro, M. Spagnuolo, B. Vekemans, L. Medici, K. Janssens, J. Goettlicher, M. A. Denecke, S. Mangold, P. Ruggiero |
Environmental pollution 158 (2010) 2702-2709 |
2010 | |
| Competition between Disordered Iron Sulfide and Natural Organic Matter Associated Thiols for Mercury(II)An EXAFS Study |
U. Skyllberg, A. Drott |
Environmental Science & Technology 44 (2010) 1254-1259 |
2010 | |
| Mercury speciation in the colloidal fraction of a soil polluted by a chlor-alkali plant: a case study in the South of Italy |
A. Santoro, R. Terzano, G. Blo, S. Fiore, S. Mangold, P. Ruggiero |
Journal of Synchrotron Radiation 17 (2010) 187-192 |
2010 | |
| Structure and properties of PVMo11O40 heteropolyoxomolybdate supported on silica SBA-15 as selective oxidation catalyst |
T. Ressler, U. Dorn, A. Walter, S. Schwarz, A. H. P. Hahn |
Journal of Catalysis 275 (2010) 1-10 |
2010 | |
| Role of Bi promotion and solvent in platinum-catalyzed alcohol oxidation probed by in situ X-ray absorption and ATR-IR spectroscopy |
C. Mondelli, J.-D. Grunwaldt, D. Ferri, A. Baiker |
Physical Chemistry Chemical Physics 12 (2010) 5307-5316 |
2010 | |
| Ethanol Oxidation on Carbon-Supported Pt, PtRu, and PtSn Catalysts Studied by Operando X-ray Absorption Spectroscopy |
J. Melke, A. Schoekel, D. Dixon, C. Cremers, D. E. Ramaker, C. Roth |
Journal of Physical Chemistry C 114 (2010) 5914-5925 |
2010 | |
| Mechanisms of Nd(III) uptake by 11 Å tobermorite and xonotlite |
P. Mandaliev, E. Wieland, R. Dähn, J. Tits, S. V. Churakov, O. Zaharko |
Applied Geochemistry 25 (2010) 763-777 |
2010 | |
| EXAFS study of Nd (III) uptake by amorphous calcium silicate hydrates (C-S-H) |
P. Mandaliev, R. Dähn, J. Tits, B. Wehrli, E. Wieland |
Journal of Colloid and Interface Science 342 (2010) 1-7 |
2010 | |
| Effect of phosphate, silicate, and Ca on the morphology, structure and elemental composition of Fe(III)-precipitates formed in aerated Fe(II) and As(III) containing water |
R. Kaegi, A. Voegelin, D. Folini, S. J. Hug |
Geochimica et Cosmochimica Acta 74 (2010) 5798-5816 |
2010 | |
| Hard and soft X-ray microscopy and tomography in catalysis: bridging the different time and length scales |
J.-D. Grunwaldt, C. G. Schroer |
Chemical Society Reviews 39 (2010) 4741-4753 |
2010 | |
| EXAFS as Powerful Analytical Tool for the Investigation of Organic–Inorganic Hybrid Materials |
S. Gross, M. Bauer |
Advanced Functional Materials 20 (2010) 4026-4047 |
2010 | |
| Adsorption of oxygen on copper in Cu/HZSM5 zeolites |
A. B. Ene, M. Bauer, T. Archipov, E. Roduner |
Physical Chemistry Chemical Physics 12 (2010) 6520-6531 |
2010 | |
| Sorption-atomic-absorption determination of platinum, palladium, and rhodium in dead autocatalysts |
O. A. Dal'nova, O. A. Shiryaeva, Yu. A. Karpov, T. Yu. Alekseeva, A. A. Shiryaev, D. G. Filatova |
Inorganic Materials 46 (2010) 1613-1617 |
2010 | |
| Direct atomic-absorption determination of platinum, palladium, and rhodium in dead ceramic-based autocatalysts |
O. A. Dal'nova, O. A. Shiryaeva, Yu. A. Karpov, T. Yu. Alekseeva, A. A. Shiryaev, V. S. Kulikauskas, D. G. Filatova |
Inorganic Materials 46 (2010) 1599-1604 |
2010 | |
| Cluster formation, evolution and size distribution in Fe-Cu alloy: Analysis by XAFS, XRD and TEM |
S. Cammelli, C. Degueldre, A. Cervellino, S. Abolhassani, G. Kuri, J. Bertsch, D. Lützenkirchen-Hecht, R. Frahm |
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 268 (2010) 632-637 |
2010 | |
| X-Ray absorption in homogeneous catalysis research: the iron-catalyzed Michael addition reaction by XAS, RIXS and multi-dimensional spectroscopy |
M. Bauer, C. Gastl |
Physical Chemistry Chemical Physics 12 (2010) 5575-5584 |
2010 | |
| Spectroscopic set-up for simultaneous UV-Vis/(Q)EXAFS in situ and in operando studies of homogeneous reactions under laboratory conditions |
M. Bauer, G. Heusel, S. Mangold, H. Bertagnolli |
Journal of Synchrotron Radiation 17 (2010) 273-279 |
2010 |