IUCr 2014 XAFS Tutorial

for crystallographers and beginners

Montreal, August 5, 2014

 

 

A oneday, free Tutorial Workshop on XAFS titled "IUCr 2014 XAFS Tutorial for crystallographers and beginners" was held on August 5, 2014, in Montreal as a satellite event for the XXIII International Congress and General Assembly of the International Union of Crystallography (IUCr2014, Montreal, August 6-­14, 2014, http://www.iucr2014.org). This workshop was organized by the IUCr XAFS Commission and the International X‐ray Absorption Society.

The first IUCr XAFS Tutorial was organized by Prof. K. Asakura in Tsukuba (Japan) before the main IUCr Congress in Osaka (IUCr2008). The second was organised by Prof. I. Ascone in Madrid (Spain) before the main IUCr Congress in Madrid  (IUCr2011).

The main purpose of this Tutorial was to create a bridge between XAFS and Crystallographic communities, introducing beginners to XAFS technique and its potential applications, and giving particular emphasis to the local characterization of matter. The organization of the Tutorial in the Main Congress site and its connection with the main Congress' Committees helped to reach the objective. One hundred-sixty-five participants registered to the Tutorial.  

The workshop was organized in two parts. The first part was dedicated to the presentation of physical principles,  experimental aspects and applications in Chemistry, Physics, Material Science and Biology. A second part was devoted to practical lessons on EXAFS data analysis and theoretical simulation of the XANES spectra, with codes commonly used or under development.

The content of presentations, useful links and other teaching material transmitted by speakers are available on this website.

The Organizers

 

Programme and links to documents provided by Tutors


SESSION 1. Chair: Farideh Jalilevand (Canada) 

9:00 - 9:45

X­ ‐ ray absorption spectroscopy for beginners. Welcome and some advanced theory and experimental details

Christopher T. Chantler (Australia)

ChantlerIUCrMontrealXAFSXANESXERT2014b.pdf

9:45 - 10:15

Experimental approaches to XAS, XANES and related techniques: synchrotron radiation, beamlines, detectors, measurement modes, geometry

Bruce Bunker (USA)

BunkerIntroXAFSExperiments2014IUCr.pdf

10:15 - 10:30 Coffee Break

 

SESSION 2. Chair: Bruce Bunker (USA)

10:30 - 11:00

Physics and Materials Science

Federico  Boscherini  (Italy)

Boscherini-IUCr-tutorial-XAFS-matsci-nano.pdf 

11:00 – 11:20        

EXAFS Spectroscopy and Its Applications in Chemical Speciation in Solution

Farideh Jalilehvand (Canada)

2014_IUCrworkshop_Jalilehvand.pdf

11:20 – 11:40  

Applications of XRay Absorption Spectroscopy in Biosciences

Ritimukta Sarangi (Stanford)

RitiBio_EXAFS.pdf

11:40 13:20  Lunch

  

SESSION 3. Chair: Christopher Chantler (Australia)

13:20 – 14:00     

MS approach to data analysis [or FEFF and related codes]

Anatoly Frenkel (US)

frenkel.pdf

Examples: http://www.yu.edu/faculty/afrenkel/page.aspx?id=60002&ekmensel=15074e5e_522_532_
60002_1
 

14:00 14:40      

IFEFFIT  /  Analysis - Applications

Shelly Kelly  (USA)

ShellyKellyXAS-Overview.pdf 

14:40 – 15:00   Coffee Break 

15:00 – 15:30  

Hands - on tutorial on FDMNES and FDMX.

Jay Bourke (Australia)

JDB_IUCr14-CXAFS.pdf

Examples:

downloadand unzip FDMNES package from http://neel.cnrs.fr/spip.php?article3137&lang=en

download and install FitIt -setup.exe from http://nano.sfedu.ru/fitit.html (Installation code: pvhyu35g5j8)…

15:30 - 16:00  

EXCURVE code

Martin Feiters (Radboud University Nijmegen, Netherlands)

MartinFeitersEXCURVEtutorial140805.pdf

16:00 – 16:30  

Hands - on tutorial of GNXAS and applications

Keisuke Hatada (Japan, Italy)

16:30 - 17:00

XANES: MXAN and FPMS codes

Keisuke Hatada (Japan,Italy) 

UCR14_FPMS_Hatada_sub.ppt.pdf