XAFS16

Aug 23, 2015, 8:00 AM → Aug 28, 2015, 6:00 PM UTC

Sunday, August 23

2:30 PM → 7:00 PM Registration

7:00 PM → 9:00 PM Welcome party

Monday, August 24

7:30 AM → 8:30 AM Registration

8:30 AM → 9:10 AM Welcome Session

9:10 AM → 9:30 AM General announcements

9:30 AM → 10:00 AM III: Advanced Methods

9:30 AM X-ray emission spectroscopic studies of biological catalysis

Speaker: Mrs Serena de Beer

9:30 AM → 10:00 AM empty

10:00 AM → 10:30 AM Coffee Break

10:30 AM → 12:00 PM I: Theory and Modelling, Data analysis

Fundamental Theory

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

Speaker: J.J. Kas

11:00 AM Dynamic structural disorder and reactivity in supported metal nanocatalysts

Speaker: F.D. Vila

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

Speaker: K. Gilmore

11:40 AM FEFF85EXAFS: open source theoretical standards for EXAFS analysis

Speaker: B. Ravel

10:40 AM → 12:10 PM III: Advanced Methods: III

10:40 AM State-dependent fluorescence through the Coulomb exchange

Speaker: 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

Speaker: T. Kroll

11:20 AM Orbital mixing and multiplet effects in the K absorption pre-edges of TiO2 and Mn2O3

Speaker: Mr Pieter Glatzel (European Synchrotron Radiation Facility, Grenoble, France)

11:40 AM Non-resonant X-ray Raman scattering spectroscopy

Speaker: Mr Simo Huotari (Department of Physics, University of Helsinki, Finland)

10:40 AM → 12:00 PM IV: Chemistry, catalysis, operando and time-resolved studies: IV

10:40 AM Origin of giant electrostriction in Gd doped ceria revealed by differential QEXAFS

Speaker: Mr Yuanyuan Li (Department of Physics, Yeshiva University, New York, New York, United States)

11:00 AM Quick XAFS system with millisecond time resolution

Speaker: Mr 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

Speaker: Mrs 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

Speaker: Mr Justus Just (Bergische Universität Wuppertal, Wuppertal, Germany; Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany)

10:40 AM → 12:00 PM V: Radionuclides, actinides, earth and environmental

10:40 AM Coordination environment of Hg(II) bound to E. coli in the presence and absence of organic ligands: influence of metabolic activity

Speaker: Mrs 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

Speaker: Mr A.R. Showalter

11:20 AM Absorption and Mobility of Cr and Zn in Soil in the Vicinity of Jordan River

Speaker: Mr 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

Speaker: Mr Mathieu Le Meur (Laboratoire Interdisciplinaire des Environnements Continentaux, CNRS Université de Lorraine, 15 avenue du Charmois, Vandœuvre lès Nancy, France)

12:10 PM → 1:10 PM Lunch break

1:10 PM → 3:10 PM I: Theory and Modelling, Data analysis: Theory and Modelling, Data analysis

Fundamental Theory

1:30 PM A toolbox for the strong-field representation of charge transfer multiplets of transition metal compounds

Speaker: M.U. Delgado-Jaime

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

Speaker: 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

Speaker: J. Timoshenko

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

Speaker: 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

Speaker: X. Junquig

1:20 PM → 3:10 PM IV: Chemistry, catalysis, operando and time-resolved studies: Chemistry, catalysis, operando and time-resolved studies

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

Speaker: 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

Speaker: T. Uchiyama

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

Speaker: C. Lamberti

2:20 PM Confinement effects of carbon nanotubes on catalysis

Speaker: F. Zhang

2:40 PM Operando structure-activity correlations in applied catalytic systems: Oscillatory CO oxidation in exhaust gas catalysts

Speaker: A. Gänzler

1:20 PM → 3:10 PM V: Radionuclides, actinides, earth and environmental: Radionuclides, actinides, earth and environmental

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

Speaker: E. de Santis

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

Speaker: J. Kowalska

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

Speaker: R. Kositzki

2:20 PM Progress in XANES ab initio calculations of complex metalloenzymes with two metal centers

Speaker: W.S. Chu

2:40 PM Characterization of surface contaminants of medical devices

Speaker: B. Pollakowski

1:30 PM → 3:10 PM VI: Material Science

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

Speaker: M. Staniuk

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

Speaker: T. Petit

2:10 PM In situ XAS uncovering the mechanisms of thermal stabilization of polymer-clay nanocomposites

Speaker: 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

Speaker: S. Mirzaei

2:50 PM Advanced ultralow-k organosilicate glasses: NEXAFS study

Speaker: A. Konashuk

3:10 PM → 3:40 PM Coffee break

3:40 PM → 5:40 PM II. New sources and new instrumentation

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

Speaker: M. Newville

4:20 PM X-ray Absorption Spectroscopy under Extremes

Speaker: O. Mathon

4:40 PM Quick XAFS system with millisecond time resolution

Speaker: T. Uruga

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

Speaker: 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

Speaker: O. Müller

3:40 PM → 5:40 PM VI: Material Science

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

Speaker: S. Ali

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

Speaker: H. Wahab

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

Speaker: M. Rovezzi

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

Speaker: G. Sukharina

5:20 PM Synthesis, characterization and modeling of i-Al65Cu23Fe12 quasicrystals

Speaker: O. Polozhentsev

3:40 PM → 5:40 PM VIII: Soft Matter and biology

3:50 PM Progress in XANES ab initio calculations of complex metalloenzymes with two metal centers

Speaker: W.S. Chu

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

Speaker: R. Kositzki

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

Speaker: J. Kowalska

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

Speaker: E. de Santis

5:20 PM Characterization of surface contaminants of medical devices

Speaker: B. Pollakowski

4:00 PM → 5:40 PM IV: Chemistry, catalysis, operando and time-resolved studies

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

Speaker: D. Matsumura

4:20 PM Confinement effects of carbon nanotubes on catalysis

Speaker: 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

Speaker: 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

Speaker: A.M. Abdel-Mageed

5:20 PM Operando structure-activity correlations in applied catalytic systems: Oscillatory CO oxidation in exhaust gas catalysts

Speaker: A. Gänzler

5:40 PM → 6:00 PM Evening break, transition to poster session

6:00 PM → 7:30 PM Poster Session I

Tuesday, August 25

8:30 AM → 9:00 AM II. New sources and new instrumentation

8:30 AM Ultrafast X-ray Spectroscopic Probing of Catalytic Surface Chemical Reactions using LCLS

Speaker: Anders Nilsson

9:00 AM → 9:40 AM V: Radionuclides, actinides, earth and environmental

9:00 AM Emerging applications of high-resolution XANES spectroscopy in environmental science

Speaker: Alain Manceau

9:40 AM → 10:00 AM Conference picture and general announcements

10:00 AM → 10:30 AM Coffee Break

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

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

Speaker: K. Asakura

11:10 AM XAFS study of the local structure of iron on the (0001) surface of the topological insulator Bi2Se3

Speaker: H.L. Meyerheim

11:30 AM Atomically precise semiconductor-graphene interfaces by Ge intercalation

Speaker: N.I. Verbitskiy

11:50 AM The Role Of Ag and Sb Ions In The Resistive Switching Mechanism Of Conductive Bridging Random Access Memories

Speaker: F. d’Acapito

10:30 AM → 11:50 AM V: Radionuclides, actinides, earth and environmental

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

Speaker: A. Voegelin

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

Speaker: M. Ducher

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

Speaker: P. Fani

11:30 AM X-ray microspectroscopic investigations of heavy metal uptake by argillaceous rocks

Speaker: R. Dähn

10:30 AM → 12:10 PM VI: Material Science: Operando and timeresolved

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

Speaker: 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

Speaker: D. Degler

11:30 AM In situ XANES/EXAFS study of the formation of doped and undoped hollow g-Fe2O3 nanoparticles

Speaker: S.G. Kwon

10:30 AM → 12:10 PM XEFL

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

Speaker: C. Bressler

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

Speaker: A. Föhlisch

11:10 AM Orbital-specific mapping of chemical dynamics

Speaker: P. Wernet

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

Speaker: A. Scherz

11:50 AM Stimulating soft X-ray emission from condensed matter

Speaker: M. Beye

10:40 AM → 12:10 PM III: Advanced Methods: Advanced Methods

10:40 AM Probing the magnetization dynamics of spin valve systems using x-detected ferromagnetic resonance

Speaker: 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

Speaker: C.T. Chantler

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

Speaker: M. Nachtegaal

11:40 AM Yoneda-XAFS experiments with X-ray area detectors

Speaker: J.-C. Gasse

12:10 PM → 1:20 PM Lunch Break

1:20 PM → 3:10 PM VII. Energy-related materials

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

Speaker: D. Asakura

1:50 PM Operando XAS Characterization of LiS Batteries

Speaker: Y. Gorlin

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

Speaker: Z. Arthur

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

Speaker: C. Schwanke

2:50 PM Operando XAS study of Li-S batteries

Speaker: G. Aquilanti

1:30 PM → 3:20 PM III: Advanced Methods

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

Speaker: 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

Speaker: S. Mebs

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

Speaker: A. Bordage

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

Speaker: M. al Samarai

3:00 PM Looking at one proton with XES

Speaker: A. Mijovilovich

1:30 PM → 3:20 PM IV: Chemistry, catalysis, operando and time-resolved studies

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

Speaker: 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

Speaker: M.-H. Chu

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

Speaker: 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

Speaker: L.A. Bugaev

3:00 PM EXAFS-A Powerful Tool to Determine the Structure of Active Species in Single-atom Catalysts

Speaker: L. Zhang

1:30 PM → 3:20 PM V: Radionuclides, actinides, earth and environmental

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

Speaker: Y. Ping

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

Speaker: J. Pohlenz

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

Speaker: N. Rae

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

Speaker: M.J. Ward

3:00 PM Discovering effect of radiation interaction on color of freshwater cultured pearls

Speaker: S. Pongkrapan

1:30 PM → 3:10 PM XEFL

1:30 PM Probing chemical reaction dynamics with atomic specificity and resolution

Speaker: K. Gaffney

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

Speaker: G. Vankó

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

Speaker: T. Katayama

2:30 PM Femto to Picosecond Transient States of a Photoexcited WO3 Photocatalyst

Speaker: Y. Uemura

2:50 PM Development in Ultrafast X-ray Spectroscopy at the X-ray Pump Probe Instrument of the LCLS

Speaker: D. Zhu

3:20 PM → 3:50 PM Coffee Break

3:50 PM → 5:10 PM General session

3:50 PM → 5:10 PM V: Radionuclides, actinides, earth and environmental

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

Speaker: S.M. Butorin

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

Speaker: B. Mishra

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

Speaker: A. Gaur

4:50 PM X-Ray Absorption Spectroscopic analyses of stable Fe-phases in aged cements

Speaker: M. Vespa

3:50 PM → 5:10 PM VI: Material Science

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

Speaker: A. Figueroa

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

Speaker: M.A. Sahiner

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

Speaker: I.A. Kowalik

4:50 PM EXAFS study on the structural properties of In and In + C implanted Ge

Speaker: R. Feng

3:50 PM → 5:10 PM VII. Energy-related materials

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

Speaker: M. Marcus

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

Speaker: A. Zitolo

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

Speaker: E. Borfeccia

4:50 PM On the electronic structure and coordination geometry of iron based metallo-supramolecular coordination polyelectrolytes in working electrochromic devices

Speaker: W. Szczerba

3:50 PM → 5:20 PM XEFL

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

Speaker: T. Penfold

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

Speaker: Y. Kayser

4:50 PM Matter under extreme conditions probed with ultrafast XANES on FEL facilities

Speaker: M. Harmand

5:10 PM XFEL-close out

Speaker: C. Bressler

5:20 PM → 6:00 PM Evening break, transition to poster session

6:00 PM → 7:30 PM Poster Session II

Wednesday, August 26

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

9:10 AM → 9:40 AM IX. Microscopy, beamlines, applications, cultural heritage

9:40 AM → 9:50 AM IXAS presentation

9:50 AM → 10:00 AM IUCr presentation

10:00 AM → 10:30 AM Coffee break

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

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

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

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

12:30 PM → 2:10 PM Lunch break

2:10 PM → 6:30 PM Excursion

Thursday, August 27

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

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

Fundamental Theory

9:40 AM → 9:50 AM General announcement

9:50 AM → 10:10 AM Coffee break

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

Fundamental Theory

10:20 AM → 12:30 PM XEFL

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

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

10:30 AM → 12:20 PM VI: Material Science

Friday, August 28

8:10 AM → 9:00 AM VI: Material Science: Materials Science

9:00 AM → 9:30 AM IXAS awards

9:30 AM → 9:40 AM General announcement

9:40 AM → 10:20 AM Coffee break

10:20 AM → 12:10 PM VI: Material Science: Nanomagnetism & Multiferroics

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

Speaker: C. Schmitz-Antoniak