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2016 | OriginalPaper | Buchkapitel

5. The Characterization of Atomically Precise Nanoclusters Using X-Ray Absorption Spectroscopy

verfasst von : Lisa Bovenkamp-Langlois, Martha W. Schaefer

Erschienen in: X-ray and Neutron Techniques for Nanomaterials Characterization

Verlag: Springer Berlin Heidelberg

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Abstract

The XAS toolbox (EXAFS, XANES, theoretical calculations, in situ measurements) is used in a variety of applications to determine the structure and electronic properties of atomically precise nanoclusters (APNCs). The analysis using the EXAFS part of the XAS spectrum involves models that are based on atomic packing (e.g., fcc, icosahedra) or surface effects. Theoretical methods based on DFT can improve the understanding of disorder effects on the EXAFS measurements. In comparative experiments, the effect of solvation and of the ligands (density of ligands, different ligands) is discussed. It was found that the strength of the Au–thiol bonding can lead to relaxation effects that reduce the contraction of Au–Au bonds in the core. Changes in structure could be observed for solvation and catalytic reaction with the application of in situ measurements in specifically designed reactors. Even though EXAFS is a powerful method with a number of advantages, such as that no long-range order is necessary, all kinds of materials can be investigated, nondestructively. The analysis of EXAFS data is quite challenging, however, and effects such as structural disorder, if the sample is a mixture of components (not pure) or if the APNCs have several binding ligands, can distort the results. The use of l-DOS based on theoretical XANES calculations that can give information about electronic properties of APNCs is also challenging. In complement with XPS experiments, however, consistent answers can be found.

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Vorheriges Kapitel XAFS for Characterization of Nanomaterials

Nächstes Kapitel X-Ray Absorption Spectroscopic Characterization of Nanomaterial Catalysts in Electrochemistry and Fuel Cells

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Titel: The Characterization of Atomically Precise Nanoclusters Using X-Ray Absorption Spectroscopy
verfasst von: Lisa Bovenkamp-Langlois
Martha W. Schaefer
Verlag: Springer Berlin Heidelberg
Buch: X-ray and Neutron Techniques for Nanomaterials Characterization
Print ISBN: 978-3-662-48604-7

Electronic ISBN: 978-3-662-48606-1

Copyright-Jahr: 2016
DOI: https://doi.org/10.1007/978-3-662-48606-1_5

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