2010 DXC Program:

Program

The first North American Core Shell Spectroscopy Conference will be held jointly with the 59th Denver X-Ray Conference, 2-6 August 2010, at the Denver Marriott Tech Center Hotel, Denver, CO, U.S.A. 

Abstracts are no longer being accepted for the North American Core Shell Spectroscopy Program.

North American Core Shell Spectroscopy Program
All workshops and sessions will be held in Evergreen E & F
Attendees are welcome to attend any Denver X-ray Conference workshops or sessions, at no extra charge.

Tuesday Morning Workshop
9:00 am – 12:00 Noon

Using FEFF to Model Real-World Systems
Organizers & Instructors:
C. Segre, Illinois Institute of Technology, Chicago, IL, segre@iit.edu
J. Kas, University of Washington, Seattle, WA
A. Frenkel, Yeshiva University, New York, NY
G. Bunker, Illinois Institute of Technology, Chicago, IL
FEFF 9 is the most recent release of the FEFF ab initio self-consistent multiple-scattering code for simultaneous calculations of excitation spectra and electronic structure. This program is able to calculate extended X-ray-absorption fine structure (EXAFS), full multiple scattering calculations of various X-ray absorption spectra (XAS) and projected local densities of states (LDOS). The spectra include X-ray absorption near edge structure (XANES), X-ray natural and magnetic circular dichroism (XNCD and XMCD), spin polarized X-ray absorption spectra (SPXAS and SPEXAFS), non-resonant X-ray emission spectra (XES), the X-ray scattering amplitude (Thomson and anomalous parts), and electron energy loss spectroscopy (EELS). The workshop will provide attendees with an overview of the newest features of the program, examples of using FEFF 8 to model real-world systems and some hands-on examples.

     
Tuesday Afternoon Stern Symposium
Chair: D. Haskel, APS - Argonne National Lab, Argonne, IL
The following talks are all invited:
1:00 S10 Studies of Li-Ion Battery Materials Using Synchrotron Methods
M. Balasubramanian, Argonne National Laboratory, Argonne, IL
1:35 S19 XAS Studies of Phase Change Memory Materials in the GE-SB-TE System
M. Paesler, J. Washington, G. Lucovsky, North Carolina State University, Raleigh, NC
2:10 S21 Perfecting the EXAFS Equation
J.J. Rehr, University of Washington, Seattle, WA
2:45   Break
3:15 S17 Standardizing Novel Core-Shell Spectroscopies
G. Seidler, University of Washington, Seattle, WA
3:50 S11 Electronic, Structural and Thermal Properties of Nanocatalysts: Non-Metal, Non-Bulk and Non-Debye
A.I. Frenkel, Yeshiva University, New York, NY
4:25 S23 The Use of XAS Processes for Environmental Science
K. Kemner, M. Boyanov, E. O'Loughlin, K. Skinner, D. Sholto-Douglas, B. Lai, F. DeCarlo, D. Mancini, Argonne National Laboratory, Argonne, IL
E. Carpenter, Virginia Commonwealth University, Richmond, VA
W. Walsh, Naperville, IL
K. Nealson, University of Southern California, Los Angeles, CA
5:00   Closing Remarks
Edward A. Stern, University of Washington, Seattle, WA
     
Tuesday Evening, August 3rd - Stern Symposium Dinner
Details to follow by separate announcement.
     
Wednesday Morning Session 1
Chair: C. Segre, Illinois Institute of Technology, Chicago, IL
8:30 S12 Invited - Recent Developments in the Application of In Situ XAFS Studies to Catalyst Characterization at UOP
S.R. Bare, G.E. Mickelson, N. Greenlay, UOP LLC, Des Plaines, IL
S.D. Kelly, EXAFS Analysis, Bolingbrook, IL
B. Ravel, NIST, Gaithersburg, MD
9:00 S15 Invited - Understanding Film Evolution: XAFS of FE/GAAS(001)
E.D. Crozier, R.A. Gordon, Q.F. Xiao, Simon Fraser University, Burnaby, BC, Canada
9:30 S38 Fast X-ray Fluorescence Mapping at GSECARS Hard X-ray Microprobe
M. Newville, M. Rivers, The University of Chicago, Chicago, IL
9:50 S30 Study of Irradiated MOD.9Cr-1Mo Steel by Synchrotron XAS
M. Li, Argonne National Laboratory, IL
Y. Trenikhina, D. Olive, H. Ganegoda, J. Terry, Illinois Institute of Technology, Chicago, IL
S.A. Maloy, Los Alamos National Laboratory, Los Alamos, NM
10:10   Break - Continue with the Denver X-ray Conference Plenary Session.
     
Wednesday Afternoon Session 2
Chair: M. Newville, University of Chicago, Chicago, IL
1:00 S40 Invited - Alternative Strategies for XAFS Data Analysis Using FEFF and Mathematica
G. Bunker, Illinois Institute of Technology, Chicago, IL
1:30 S16 Invited - Ab Initio Calculation of Core Level Spectroscopies Using FEFF9
J.J. Kas, J.J. Rehr, F.D. Vila, K. Jorissen, University of Washington Seattle, WA
M.P. Prange, Vanderbilt University, Nashville, TN
2:00 S06 Developing a Test Method for Determination of Hexavalent Chromium in Polymers Using XANES
J.R. Sieber, J. Malherbe, B.D. Ravel, National Institute of Standards and Technology, Gaithersburg, MD
2:20 S34 XAFS Studies of Ni, Ta and Nb Chlorides in the Ionic Liquid 1-Ethyl-3-Methyl Imidazolium Chloride / Aluminum Chloride
W.E. O'Grady, D.F. Roeper, NRL, Washington, DC
K.I. Pandya, SAIC, Brookhaven National Laboratory, Upton, NY
G.T. Cheek, US Naval Academy, Annapolis, MD
2:40 S08 The Effect of Chemical Bonding on High-Resolution X-ray Spectroscopy of Nitrogen Compounds
W.T. Elam, F. Vila, University of Washington, Seattle, WA
T. Jach, National Institute of Standards and Technology, Gaithersburg, MD
A. Sandborg, EDAX unit of Ametek Materials Analysis Division, Mahwah, NJ
3:00   Break
     
Wednesday Afternoon Session 3
Chair: G. Bunker, Illinois Institute of Technology, Chicago, IL
3:30 S37 Invited - Low Temperature Spin-Coupled Distortions and an Unusual Ferroelectric State in Multiferroic Hexagonal REMnO3
T.A. Tyson, P. Gao, H. Chen, T. Wu, K.H. Ahn, New Jersey Institute of Technology, Newark, NJ
S-W. Cheong, Rutgers University, Piscataway, NJ
4:00 S35 Structural Studies of the FeTiO3-Fe2O3 Solid Solution Series
H. Ganegoda, D. Olive, Y.N. Trenikhina, J. Terry, C. Segre, Illinois Institute of Technology, Chicago, IL
D. Das Sarma, D. Choudhury, Indian institute of Science, Bengaluru, India
4:20 S32 Local Distortions and Charge Carrier Behavior in Sr Doped Cobaltites; Evidence for Holes on Oxygen Sites and Magnetic Oxygen
F. Bridges, UCSC, Santa Cruz, CA
J. Freeland, APS, Argonne, IL
Y. Jiang, LBL, Berkeley, CA
4:40 S28 Magnetism at High Pressure
D. Haskel, N.M. Souza-Neto, Y.C. Tseng, Advanced Photon Source, Argonne National Laboratory, Argonne, IL
5:00 S39 From the Picture to the Movie: Time-Resolved X-ray Techniques to Image Chemical Reactions
K. Attenkofer, L.X. Chen, G. Jennings, D.M. Tiede, Argonne National Laboratory, Argonne, IL
B. Gilbert, J. Katz, Lawrence Berkeley National Laboratory, Berkeley, CA
5:20 S04 XAFS Studies of Al-Si Hypoeutectic Alloy Modified by Sr Doping
S. Chattopadhyay, T. Shibata, Advanced Photon Source, Argonne, IL &Illinois Institute of Technology, Chicago, IL
V.S. Prakash Srirangam, S. Shankar, McMaster University, Ontario, Canada
S.D. Kelly, EXAFS Analysis, Bolingbrook, IL
J.A. Kaduk, Poly Crystallography Inc., Naperville, IL
C.U. Segre, Illinois Institute of Technology, Chicago, IL
5:40 S42

XANES SIMUALTIONS AND EXPERIMENTS AND RARE ERATH NICKELATES
Jose, Mustre, Cinvestav-Merida, Merida, Yuctan, Mexico

     
Thursday Morning Session 4
Chair: to be confirmed
8:30 S22 Invited - Intermediate Valence In Ce- And Yb-Organometallic Molecules Elucidated by the X-ray Absorption Fine-Structure Technique
C.H. Booth, Lawrence Berkeley National Laboratory, Berkeley, CA
9:00 S25 MiniXS a New Tool for Co XES Measurements of Catalysts
S.D. Kelly, EXAFS Analysis, Bolingbrook, IL
S.R. Bare, UOP LLC a Honeywell Company, Des Plaines, IL
G.T. Seidler, University of Washington, Seattle, WA
9:20 S05 Studying the Interfacial Charge Transfer at Dye/Nanoparticle Interface Using Time-Resolved X-ray Absorption Spectroscopy
X. Zhang, K. Attenkofer, Argonne National Laboratory, Argonne, IL
J. Guo, L. Chen, Argonne National Laboratory, Argonne, IL
9:40 S26 Quantitative Speciation of Zn(II) During The Aqueous Solution Growth of ZnO Nanowires Using In-Situ XANES Spectroscopy
K.M. McPeak, J.B. Baxter, Drexel University, Philadelphia, PA
M.A. Becker, B.A. Bunker, University of Notre Dame, Notre Dame, IN
10:00 S03 Structural and Magnetic Properties of Ligand Passivated Fe Nanoparticles
T.C. Monson, D.L. Huber, T.E. Stevens, J.M. Lavin, Sandia National Labs, Albuquerque, NM
Q. Ma, Advanced Photon Source, Argonne, IL
H. Ohldag, Stanford Synchrotron Radiation Lightsource, Palo Alto, CA
10:20 S09 In Situ XAFS Characterization of Pt/C and PtNi/C as Cathode Catalysts in PEMFCS
Q. Jia, C.U. Segre, Illinois Institute of Technology, Chicago, IL
E.A. Lewis, C. Grice, E.S. Smotkin, NuVant Systems, Inc., Crown Point, IN
10:40 Break  
     
Thursday Morning Session 5
Chair: S. Kelly, EXAFS Analysis, Bolingbrook, IL
11:10 S31 Invited - Redox Activity of Biomimetic Mn Complexes: Results From Time-Resolved X-ray Absorption Spectroscopy
J. Penner-Hahn, C. Fierke, N. Zahler, A. Stoddard, J. Ward, University of Michigan, Ann Arbor, MI
11:40 S33 Pyrophsphorolytic and Pyrovanadolytic Activities of the T7 DNA Polymerase
B. Akabayov, Harvard Medical School, Boston, MA
C.C. Richardson, Harvard Medical School, Boston, MA
12:00 S36 Vanadium and Nickel in Deepwater Horizon Crude Oil
D. Duarte, University of New Orleans, New Orleans, LA
A. Roy, E. Overton, Louisiana State University, Baton Rouge, LA
12:20 S13 Invited - XAFS Studies of Metal-Bacterial Interactions: From Passive Adsorption to Biomineralization
B.A. Bunker, Z. Song, J.P.L. Kenney, S.M. Dunham-Cheatham, J.B. Fein, University of Notre Dame, Notre Dame, IN
12:50 S27 Study the Local Environment of UO2 in Presence of Actinide Surrogates
M. Elbakhshwan, B. Heuser, University of Illinois, Urbana-Champaign, IL
1:10   Closing Remarks