@inproceedings{83b8b44fceee4fcd9a28ede65675b869,
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",
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",
}