Name: XAFS16
Start: 2015-08-23T08:00:00+00:00
End: 2015-08-28T18:00:00+00:00
Location: No location set

Monday, August 24, 2015

7:30 AM Registration
Registration
7:30 AM - 8:30 AM

8:30 AM

8:30 AM - 9:10 AM

9:10 AM General announcements
General announcements
9:10 AM - 9:30 AM

9:30 AM

9:30 AM - 10:00 AM
9:30 AM - 10:00 AM
Contributions

9:30 AM X-ray emission spectroscopic studies of biological catalysis - Serena de Beer
10:00 AM Coffee Break
Coffee Break
10:00 AM - 10:30 AM
10:30 AM
10:30 AM - 12:00 PM
Room: 1
Contributions

10:30 AM Advances in the theory and calculation of many-body effects in x-ray spectra - J.J. Kas

11:00 AM Dynamic structural disorder and reactivity in supported metal nanocatalysts - F.D. Vila

11:20 AM Efficient Bethe-Salpeter equation calculations of x-ray spectra of large systems - K. Gilmore

11:40 AM FEFF85EXAFS: open source theoretical standards for EXAFS analysis - B. Ravel
10:40 AM III
III
10:40 AM - 12:10 PM
Room: 4
Contributions

10:40 AM State-dependent fluorescence through the Coulomb exchange - Piter S. Miedema (FG-ISRR, Helmholtz-Zentrum Berlin, Germany)

11:00 AM Extracting Electronic Structure Information from 1s2p RIXS and L-edge XAS of Transition Metal Complexes - T. Kroll

11:20 AM Orbital mixing and multiplet effects in the K absorption pre-edges of TiO2 and Mn2O3 - Pieter Glatzel (European Synchrotron Radiation Facility, Grenoble, France)

11:40 AM Non-resonant X-ray Raman scattering spectroscopy - Simo Huotari (Department of Physics, University of Helsinki, Finland)
IV
IV
10:40 AM - 12:00 PM
Contributions

10:40 AM Origin of giant electrostriction in Gd doped ceria revealed by differential QEXAFS - Yuanyuan Li (Department of Physics, Yeshiva University, New York, New York, United States)

11:00 AM Quick XAFS system with millisecond time resolution - Tomoya Uruga (Japan Synchrotron Radiation Research Institute, SPring-8, Japan; The University of Electro-Communications, Innovation Research Center for Fuel Cells, Japan)

11:20 AM ROCK: the Quick-EXAFS beamline at SOLEIL - Laurent Barthe (ynchrotron SOLEIL, Gif-sur-Yvette, France)

11:40 AM Nucleation and Growth Kinetics of Multinary Nanocrystals by Quick Extended X-ray Absorption Fine Structure - Justus Just (Bergische Universität Wuppertal, Wuppertal, Germany; Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany)
10:40 AM - 12:00 PM
Room: 2
Contributions

10:40 AM Coordination environment of Hg(II) bound to E. coli in the presence and absence of organic ligands: influence of metabolic activity - Sara Thomas (Department of Civil and Environmental Engineering, Northwestern University, Evanston, IL US)

11:00 AM An X-ray absorption spectroscopy study of Cd binding onto a halophilic archaeon - A.R. Showalter

11:20 AM Absorption and Mobility of Cr and Zn in Soil in the Vicinity of Jordan River - Messaoud Harfouche (Synchrotron-light for Experimental Science and Applications in the Middle East, Jordan)

11:40 AM Zn K-edge XAFS for the study of river material reactivity towards metals - Mathieu Le Meur (Laboratoire Interdisciplinaire des Environnements Continentaux, CNRS Université de Lorraine, 15 avenue du Charmois, Vandœuvre lès Nancy, France)
12:10 PM Lunch break
Lunch break
12:10 PM - 1:10 PM
1:10 PM Theory and Modelling, Data analysis
Theory and Modelling, Data analysis
1:10 PM - 3:10 PM
Room: 4
Contributions

1:30 PM A toolbox for the strong-field representation of charge transfer multiplets of transition metal compounds - M.U. Delgado-Jaime

1:50 PM EXAFS analysis using the new Graphical User Interface of the GNXAS suite of programs - K. Hatada

2:10 PM Disappearance of correlations in the atom motion upon hydrogen intercalation into ReO3 lattice: in-situ EXAFS study, deciphered by a novel reverse Monte Carlo/evolutionary algorithm approach - J. Timoshenko

2:30 PM Efficient multicore parallelization of the finite difference method for x-ray absorption spectroscopy in the FDMNES code - A.A. Guda

2:50 PM X-ray absorption spectra of graphene and graphene oxide by Full Potential Multiple Scattering calculations with self-consistent potential - X. Junquig
1:20 PM Chemistry, catalysis, operando and time-resolved studies
Chemistry, catalysis, operando and time-resolved studies
1:20 PM - 3:10 PM
Contributions

1:20 PM Geometric and electronic structure of Au on Au/CeO2 catalysts during the CO oxidation: Deactivation by reaction induced particle growth - A.M. Abdel-Mageed

1:40 PM Mechanochemical preparation and local structural analysis of Pd-LaFeO3 solid solutions by Pd K- and L3-edge X-ray absorption spectroscopy - T. Uchiyama

2:00 PM Local environment and electronic structure of active sites in Cu-SSZ-13 deNOx catalyst under reaction conditions - C. Lamberti

2:20 PM Confinement effects of carbon nanotubes on catalysis - F. Zhang

2:40 PM Operando structure-activity correlations in applied catalytic systems: Oscillatory CO oxidation in exhaust gas catalysts - A. Gänzler
Radionuclides, actinides, earth and environmental
Radionuclides, actinides, earth and environmental
1:20 PM - 3:10 PM
Contributions

1:20 PM Zn(II)/Cu(II) cross-coordination to Ab peptides can modulate the peptide aggregation propensity. A XAS structural study - E. de Santis

1:40 PM Insights into the electronic structure of iron atoms in FeMo cofactor of nitrogenase and related models - J. Kowalska

2:00 PM Metal-hydride intermediates in FeFe and NiFe hydrogenase enzymes detected and characterized by XAS/XES and DFT - R. Kositzki

2:20 PM Progress in XANES ab initio calculations of complex metalloenzymes with two metal centers - W.S. Chu

2:40 PM Characterization of surface contaminants of medical devices - B. Pollakowski
1:30 PM
1:30 PM - 3:10 PM
Contributions

1:30 PM Tracking of the changes during nucleation and growth of nanoparticles in solution – MCR-ALS analysis of time-resolved XANES data - M. Staniuk

1:50 PM Interfacial water on nanodiamonds in colloidal dispersions probed by transmission X-ray absorption spectroscopy - T. Petit

2:10 PM In situ XAS uncovering the mechanisms of thermal stabilization of polymer-clay nanocomposites - H.W.P. Carvalho

2:30 PM Characterizing the structural properties of the NPs formed by ion implantation in LPCVD and PECVD Si3N4 using XAS - S. Mirzaei

2:50 PM Advanced ultralow-k organosilicate glasses: NEXAFS study - A. Konashuk
3:10 PM Coffee break
Coffee break
3:10 PM - 3:40 PM
3:40 PM
3:40 PM - 5:40 PM
Contributions

3:50 PM Upgraded X-ray Spectroscopy Microprobe Beamline 13-ID-E of the Advanced Photon Source - M. Newville

4:20 PM X-ray Absorption Spectroscopy under Extremes - O. Mathon

4:40 PM Quick XAFS system with millisecond time resolution - T. Uruga

5:00 PM High-Flux EXAFS Beamline P64 at PETRAIII - W. Caliebe

5:20 PM The new QEXAFS monochromator, detection and data acquisition system at the SuperXAS beamline (SLS) for EXAFS spectroscopy with 15 ms time resolution - O. Müller
VI: Material Science
VI: Material Science
3:40 PM - 5:40 PM
Contributions

3:50 PM Negative thermal expansion of ScF3: an EXAFS study at the Scandium K-edge from 10 K up to 1100 K - S. Ali

4:20 PM Identification of carbon bonds in graphene oxide using soft x-ray reflectometry - H. Wahab

4:40 PM High-resolution x-ray absorption and emission spectroscopy study of Mn incorporation in AlxGa1-xN hetero-structures - M. Rovezzi

5:00 PM Local atomic and electronic structure of ferroelectric materials: X-ray investigation and computer modeling - G. Sukharina

5:20 PM Synthesis, characterization and modeling of i-Al65Cu23Fe12 quasicrystals - O. Polozhentsev
VIII: Soft Matter and biology
VIII: Soft Matter and biology
3:40 PM - 5:40 PM
Contributions

3:50 PM Progress in XANES ab initio calculations of complex metalloenzymes with two metal centers - W.S. Chu

4:20 PM Metal-hydride intermediates in FeFe and NiFe hydrogenase enzymes detected and characterized by XAS/XES and DFT - R. Kositzki

4:40 PM Insights into the electronic structure of iron atoms in FeMo cofactor of nitrogenase and related models - J. Kowalska

5:00 PM Zn(II)/Cu(II) cross-coordination to Ab peptides can modulate the peptide aggregation propensity. A XAS structural study - E. de Santis

5:20 PM Characterization of surface contaminants of medical devices - B. Pollakowski
4:00 PM IV: Chemistry, catalysis, operando and time-resolved studies
IV: Chemistry, catalysis, operando and time-resolved studies
4:00 PM - 5:40 PM
Contributions

4:00 PM Precise observation of structural change of Pd nanoparticles during surface adsorption and catalytic reaction - D. Matsumura

4:20 PM Confinement effects of carbon nanotubes on catalysis - F. Zhang

4:40 PM Mechanochemical preparation and local structural analysis of Pd-LaFeO3 solid solutions by Pd K- and L3-edge X-ray absorption spectroscopy - T. Uchiyama

5:00 PM Geometric and electronic structure of Au on Au/CeO2 catalysts during the CO oxidation: Deactivation by reaction induced particle growth - A.M. Abdel-Mageed

5:20 PM Operando structure-activity correlations in applied catalytic systems: Oscillatory CO oxidation in exhaust gas catalysts - A. Gänzler
5:40 PM Evening break, transition to poster session
Evening break, transition to poster session
5:40 PM - 6:00 PM

6:00 PM

6:00 PM - 7:30 PM
Tuesday, August 25, 2015
8:30 AM II. New sources and new instrumentation
II. New sources and new instrumentation
8:30 AM - 9:00 AM
Contributions

8:30 AM Ultrafast X-ray Spectroscopic Probing of Catalytic Surface Chemical Reactions using LCLS - Anders Nilsson
9:00 AM V: Radionuclides, actinides, earth and environmental
V: Radionuclides, actinides, earth and environmental
9:00 AM - 9:40 AM
Contributions

9:00 AM Emerging applications of high-resolution XANES spectroscopy in environmental science - Alain Manceau
9:40 AM Conference picture and general announcements
Conference picture and general announcements
9:40 AM - 10:00 AM

10:00 AM Coffee Break
Coffee Break
10:00 AM - 10:30 AM
10:30 AM
10:30 AM - 12:10 PM
Room: E
Contributions

10:30 AM XFEL-Spectroscopies at XFELs, Short Introduction - C. Bressler

10:40 AM Implications of adding the dimension of time to science with X-rays - A. Föhlisch

11:10 AM Orbital-specific mapping of chemical dynamics - P. Wernet

11:30 AM Ultrafast generation of magnetic ordering in a first order phase transition in FeRh - A. Scherz

11:50 AM Stimulating soft X-ray emission from condensed matter - M. Beye
Surfaces and Interfaces
Surfaces and Interfaces
10:30 AM - 12:10 PM
Room: Audimax B
Contributions

10:50 AM Polarization dependent total reflection fluorescence XAFS and the control of metal structures on oxide surfaces - K. Asakura

11:10 AM XAFS study of the local structure of iron on the (0001) surface of the topological insulator Bi2Se3 - H.L. Meyerheim

11:30 AM Atomically precise semiconductor-graphene interfaces by Ge intercalation - N.I. Verbitskiy

11:50 AM The Role Of Ag and Sb Ions In The Resistive Switching Mechanism Of Conductive Bridging Random Access Memories - F. d’Acapito
V: Radionuclides, actinides, earth and environmental
V: Radionuclides, actinides, earth and environmental
10:30 AM - 11:50 AM
Room: Audimax A
Contributions

10:30 AM Exploring the formation and structural diversity of Fe(III)-precipitates in aquatic systems using XAS - A. Voegelin

10:50 AM Probing the 3d states of Fe in goethite using Al K-edge XANES spectroscopy - M. Ducher

11:10 AM Metal (Hydr)oxides for the removal of Cr(VI) from drinking - P. Fani

11:30 AM X-ray microspectroscopic investigations of heavy metal uptake by argillaceous rocks - R. Dähn
Operando and timeresolved
Operando and timeresolved
10:30 AM - 12:10 PM
Room: Chemie, Neuer Hörsaal
Contributions

10:30 AM Thermo-mechanical behaviour of EVA|CNT composites studied through in situ NEXAFS spectroscopy

10:50 AM Time-resolved XAFS in kinetic formation and transition mechanism of nanoclusters and nanocrystals - T. Yao

11:10 AM Operando X-ray absorption spectroscopy: A key technique to understand the structure-function-relationship of noble metal doped gas sensing materials - D. Degler

11:30 AM In situ XANES/EXAFS study of the formation of doped and undoped hollow g-Fe2O3 nanoparticles - S.G. Kwon
10:40 AM Advanced Methods
Advanced Methods
10:40 AM - 12:10 PM
Room: D
Contributions

10:40 AM Probing the magnetization dynamics of spin valve systems using x-detected ferromagnetic resonance - G. van der Laan

11:00 AM The quality of X-ray Absorption Fine Structure measurements by Transmission for dilute systems, using the Hybrid Technique - C.T. Chantler

11:20 AM Time-resolved x-ray absorption and emission spectroscopies to determine the structure of the catalytic active site - M. Nachtegaal

11:40 AM Yoneda-XAFS experiments with X-ray area detectors - J.-C. Gasse
12:10 PM Lunch Break
Lunch Break
12:10 PM - 1:20 PM
1:20 PM
1:20 PM - 3:10 PM
Room: Audimax B
Contributions

1:30 PM Electrochemical operando soft x-ray emission spectroscopy for Li-ion-battery electrodes - D. Asakura

1:50 PM Operando XAS Characterization of LiS Batteries - Y. Gorlin

2:10 PM In situ XAS/XRD Study of Li2FeSiO4 as LIB Cathode Material - Z. Arthur

2:30 PM In-situ techniques for soft X-ray spectroscopy on catalytic and electrochemical systems - C. Schwanke

2:50 PM Operando XAS study of Li-S batteries - G. Aquilanti
1:30 PM XEFL
XEFL
1:30 PM - 3:10 PM
Room: E
Contributions

1:30 PM Probing chemical reaction dynamics with atomic specificity and resolution - K. Gaffney

1:50 PM Tracking light-induced ultrafast transformations of transition metal complexes - G. Vankó

2:10 PM Developments for time-resolved x-ray spectroscopies using X-ray Free Electron Lasers at SACLA - T. Katayama

2:30 PM Femto to Picosecond Transient States of a Photoexcited WO3 Photocatalyst - Y. Uemura

2:50 PM Development in Ultrafast X-ray Spectroscopy at the X-ray Pump Probe Instrument of the LCLS - D. Zhu
III: Advanced Methods
III: Advanced Methods
1:30 PM - 3:20 PM
Room: D
Contributions

1:30 PM Homogeneous catalysis and high resolution hard X-ray absorption and emission spectroscopy - M. Bauer

2:00 PM Abrupt vs. gradual spin-crossover in classic Fe(II) and Fe(III) compounds analyzed by high-resolution XAS/XES and DFT - S. Mebs

2:20 PM In situ site-selective K-edge XAS: A powerful probe of the transformation of mixed-valence compounds - A. Bordage

2:40 PM Redox sensitivity of cobalt in the CoMoS and CoNiMoS HDS catalyst: a Resonant Inelastic X-ray Scattering study - M. al Samarai

3:00 PM Looking at one proton with XES - A. Mijovilovich
IV: Chemistry, catalysis, operando and time-resolved studies
IV: Chemistry, catalysis, operando and time-resolved studies
1:30 PM - 3:20 PM
Room: Audimax B
Contributions

1:30 PM Ex-situ and in-situ investigations of thermal anti-oxidation treatments of Cr-Ni steels by reflection mode EXAFS - D. Lützenkirchen-Hecht

2:00 PM In situ X-ray absorption spectroscopy characterization of the incipient growth of ZnO thin films by atomic layer deposition - M.-H. Chu

2:20 PM In situ XAFS and XRD observation during a preparation process of an electroluminescent Tb doped alumina film - K.K. Bando

2:40 PM Atomic structure of PtCu nanoparticles in PtCu/C catalysts prepared by simultaneous and sequential deposition of components on carbon support - L.A. Bugaev

3:00 PM EXAFS-A Powerful Tool to Determine the Structure of Active Species in Single-atom Catalysts - L. Zhang
V: Radionuclides, actinides, earth and environmental
V: Radionuclides, actinides, earth and environmental
1:30 PM - 3:20 PM
Room: Audimax A
Contributions

1:30 PM XAFS in high-energy-density matter: solid iron up to 560GPa - Y. Ping

2:00 PM Structural Properties of Sodium-Rich Carbonate-Silicate Melts: An In-situ High-Pressure EXAFS Study on Y and Sr - J. Pohlenz

2:20 PM An XAS study of lead speciation in chloride solutions under hydrothermal conditions - N. Rae

2:40 PM Large area – high spatial resolution iron XANES mapping of impact melt-bearing breccias - M.J. Ward

3:00 PM Discovering effect of radiation interaction on color of freshwater cultured pearls - S. Pongkrapan
3:20 PM Coffee Break
Coffee Break
3:20 PM - 3:50 PM

3:50 PM

3:50 PM - 5:10 PM
Room: D
VII. Energy-related materials
VII. Energy-related materials
3:50 PM - 5:10 PM
Room: Audimax B
Contributions

3:50 PM Asymmetric pathways in the electrochemical conversion reaction of NiO as battery electrode with high storage capacity - M. Marcus

4:10 PM XAS spectroscopic fingerprint of the active site in non-precious metal electrocatalysts for PEM fuel cells - A. Zitolo

4:30 PM A XAS study of the local environment and reactivity of Pt-sites in functionalized UiO-67 MOFs - E. Borfeccia

4:50 PM On the electronic structure and coordination geometry of iron based metallo-supramolecular coordination polyelectrolytes in working electrochromic devices - W. Szczerba
XEFL
XEFL
3:50 PM - 5:20 PM
Room: E
Contributions

3:50 PM X-Ray Spectroscopy at XFELs – Present and Future

4:10 PM Revealing charge carrier trapping in ZnO nanoparticles with femtosecond time-resolved X-ray spectroscopy - T. Penfold

4:30 PM RIXS spectroscopy at hard XFELs using non-monochroma-tized SASE pulses - Y. Kayser

4:50 PM Matter under extreme conditions probed with ultrafast XANES on FEL facilities - M. Harmand

5:10 PM XFEL-close out - C. Bressler
V: Radionuclides, actinides, earth and environmental
V: Radionuclides, actinides, earth and environmental
3:50 PM - 5:10 PM
Room: Audimax A
Contributions

3:50 PM Ground state character in high-resolution x-ray absorption at M, N and O edges of actinides - S.M. Butorin

4:10 PM Using X-ray Raman to Study Soil Carbon Biogeochemistry - B. Mishra

4:30 PM XAFS study of copper(II) diethylenetriamine complexes having different coordination geometries - A. Gaur

4:50 PM X-Ray Absorption Spectroscopic analyses of stable Fe-phases in aged cements - M. Vespa
VI: Material Science
VI: Material Science
3:50 PM - 5:10 PM
Room: 30.46
Contributions

3:50 PM Local structure and bonding of magnetic dopants in Bi2Se3 and Bi2Te3 topological insulator thin films - A. Figueroa

4:10 PM Subtle local structural variations in oxygen deficient niobium germanate thin film glasses as revealed by x-ray absorption spectroscopy - M.A. Sahiner

4:30 PM Soft x-ray absorption spectroscopy on Atomic Layer Deposition grown ZnO films - I.A. Kowalik

4:50 PM EXAFS study on the structural properties of In and In + C implanted Ge - R. Feng
5:20 PM Evening break, transition to poster session
Evening break, transition to poster session
5:20 PM - 6:00 PM

6:00 PM

6:00 PM - 7:30 PM
Wednesday, August 26, 2015

8:30 AM IV: Chemistry, catalysis, operando and time-resolved studies
IV: Chemistry, catalysis, operando and time-resolved studies
8:30 AM - 9:10 AM

9:10 AM

9:10 AM - 9:40 AM

9:40 AM

9:40 AM - 9:50 AM

9:50 AM

9:50 AM - 10:00 AM

10:00 AM Coffee break
Coffee break
10:00 AM - 10:30 AM

10:30 AM IX. Microscopy, beamlines, applications, cultural heritage
IX. Microscopy, beamlines, applications, cultural heritage
10:30 AM - 12:20 PM

II. New sources and new instrumentation
II. New sources and new instrumentation
10:30 AM - 12:20 PM

10:40 AM IV: Chemistry, catalysis, operando and time-resolved studies
IV: Chemistry, catalysis, operando and time-resolved studies
10:40 AM - 12:30 PM

VI: Material Science
VI: Material Science
10:40 AM - 12:30 PM

12:30 PM Lunch break
Lunch break
12:30 PM - 2:10 PM

2:10 PM

2:10 PM - 6:30 PM
Thursday, August 27, 2015

8:10 AM V: Radionuclides, actinides, earth and environmental
V: Radionuclides, actinides, earth and environmental
8:10 AM - 9:00 AM

9:00 AM I: Theory and Modelling, Data analysis
I: Theory and Modelling, Data analysis
9:00 AM - 9:40 AM

9:40 AM

9:40 AM - 9:50 AM

9:50 AM Coffee break
Coffee break
9:50 AM - 10:10 AM

10:20 AM XEFL
XEFL
10:20 AM - 12:30 PM

I: Theory and Modelling, Data analysis
I: Theory and Modelling, Data analysis
10:20 AM - 12:10 PM

10:30 AM III: Advanced Methods
III: Advanced Methods
10:30 AM - 12:20 PM

V: Radionuclides, actinides, earth and environmental
V: Radionuclides, actinides, earth and environmental
10:30 AM - 12:10 PM

VI: Material Science
VI: Material Science
10:30 AM - 12:20 PM
Friday, August 28, 2015

8:10 AM Materials Science
Materials Science
8:10 AM - 9:00 AM

9:00 AM

9:00 AM - 9:30 AM

9:30 AM General announcement
General announcement
9:30 AM - 9:40 AM

9:40 AM Coffee break
Coffee break
9:40 AM - 10:20 AM
10:20 AM Nanomagnetism & Multiferroics
Nanomagnetism & Multiferroics
10:20 AM - 12:10 PM
Contributions

10:20 AM XMCD on Fe-based nanoparticles: Two examples of theory and experiment complementing one another - C. Schmitz-Antoniak