@inproceedings{53557fef1c254b9996ecf46f20db5cec,
title = "Geometry and charge state of mixed-ligand Au13 nanoclusters",
abstract = "The integration of synthetic, experimental and theoretical tools into a self-consistent data analysis methodology allowed us to develop unique new levels of detail in nanoparticle characterization. We describe our methods using an example of Au13 monolayer-protected clusters (MPCs), synthesized by ligand exchange methods. The combination of atom counting methods of scanning transmission electron microscopy and Au L3-edge EXAFS allowed us to characterize these clusters as icosahedral, with surface strain reduced from 5% (as in ideal, regular icosahedra) to 3%, due to the interaction with ligands. Charge transfer from Au to the thiol and phosphine ligands was evidenced by S and P K-edge XANES. A comparison of total energies of bare clusters of different geometries was performed by equivalent crystal theory calculations.",
keywords = "Electron microscopy, EXAFS, Nanoclusters, Total energy calculations, XANES",
author = "Frenkel, {A. I.} and Menard, {L. D.} and P. Northrup and Rodriguez, {J. A.} and F. Zypman and D. Glasner and Gao, {S. P.} and H. Xu and Yang, {J. C.} and Nuzzo, {R. G.}",
year = "2007",
doi = "10.1063/1.2644652",
language = "English (US)",
isbn = "0735403848",
series = "AIP Conference Proceedings",
pages = "749--751",
booktitle = "X-RAY ABSORPTION FINE STRUCTURE - XAFS13",
note = "X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference ; Conference date: 09-07-2006 Through 14-07-2006",
}