Re: [Ifeffit] correlating number of nearest neighborst to the particle size

Hi Jatin, There are two strategies that have been used to do this that you can find in the literature, both of which are by members who frequent this list (myself and Anatoly Frenkel). I have published articles outlining a strategy where you assume the shape of the particles. Most often in my case that has been spheres, but it could be plates or hemispheres or whatever. Then you derive how the coordination number depends on dimensions for that shape (as I said, I an others have done that for spheres), and make those dimensions free parameters in an Ifeffit (e.g. Artemis) fit. Anatoly has published articles outlining a strategy where you treat the coordination numbers themselves as free parameters, and then check for consistency with various shapes. I think Anatoly's method is better when the nanoparticles are very consistent; i.e. they have a narrow size distribution and consistent shapes, and when data quality is good. I think my method may work better when the nanoparticles are "messier" or when the data is more limited, if only because it requires fewer free parameters. A typical reference for Anatoly's method is A View from the Inside:  Complexity in the Atomic Scale Ordering of Supported Metal Nanoparticles Anatoly I. Frenkel,*,†,‡, Charles W. Hills,§ and, and Ralph G. Nuzzo*,†,§ The Journal of Physical Chemistry B 2001 105 (51), 12689-12703 A typical reference for my method is “Estimating crystallite size in polydispersed samples using EXAFS,” S. Calvin, C. J. Riedel,* E. E. Carpenter, S. A. Morrison, R. M. Stroud, and V. G. Harris, Physica Scripta T115, 744 (2005). although that can be a little hard to find. Another reference which is more widely available is “Comparison of extended X-ray absorption fine structure and Scherrer analysis of x-ray diffraction as methods for determining mean sizes of polydisperse nanoparticles,” S. Calvin, S. X. Luo, C. C. Broadbridge, J. K. McGuinness, E. Anderson, A. Lehman, K. H. Wee, S. A. Morrison, and L. K. Kurihara, Appl. Phys. Lett. 87, 233102 (2005). --Scott Calvin Sarah Lawrence College On Jan 9, 2014, at 12:55 PM, Rana, Jatinkumar Kantilal wrote:

Hi All,

I would like to estimate the size of Cu nanoparticles grown in my sample by EXAFS fitting. I can refine the number of nearest neighbors in these Cu nanoparticles up to 4 shells (say NN1, NN2, NN3 and NN4), by constraining S02 to the value obtained by fitting the data of Cu reference foil. But, how do I correlate the refined values of nearest neighbors to the actual size of Cu nanoparticles ? Any help in this regard would be much appreciated.

Regards, Jatin

-----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of ifeffit-request@millenia.cars.aps.anl.gov Sent: 09 January, 2014 17:51 To: ifeffit@millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 131, Issue 8

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Today's Topics:

1. Query re: Athena and Artemis user guides (Leon Clarke) 2. Re: Query re: Athena and Artemis user guides (Bruce Ravel) 3. Re: Query re: Athena and Artemis user guides (Kathy Dardenne) 4. Re: Demeter 0.9.19 (Schima, Frank)

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Message: 1 Date: Thu, 9 Jan 2014 15:56:29 +0000 From: Leon Clarke To: "ifeffit@millenia.cars.aps.anl.gov" Subject: [Ifeffit] Query re: Athena and Artemis user guides Message-ID: <83CF3E8AA2102C4598B316168B472EFE98BEEECD@drmb1> Content-Type: text/plain; charset="us-ascii"

Dear Dr Ravel and Demeter users,

I recollect that the Athena and Artemis user guides used to be available as PDF files (which I found useful). Am I correct that the latest guides are now only accessible as internet pages, as I can't seem to find a download link?

Best regards, Leon

----- Dr Leon J. Clarke Lecturer in Environmental Analytical Chemistry Division of Chemistry and Environmental Sciences School of Science and the Environment Faculty of Science and Engineering Manchester Metropolitan University John Dalton East Oxford Road Manchester M1 5GD

E-mail: l.clarke@mmu.ac.ukmailto:l.clarke@mmu.ac.uk WWW: http://www.sste.mmu.ac.uk/ Tel: +44 (0)161 247 1412

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