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Issue 14, 2012
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The bonding in thiolate protected gold nanoparticles from Au4f photoemission core level shifts

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Abstract

Density functional theory calculations are used to evaluate Au4f core level shifts of methyl thiolate protected Au25, Au102 and Au144 nanoparticles. The shifts are found to provide sensitive fingerprints of the chemical environment. In particular, Au atoms in protective gold-thiolate complexes have higher binding energies than Au atoms with solely metal neighbors. The core level shifts for the nanoparticles are compared to the corresponding results for methyl thiolates adsorbed on Au(111) and implications for the understanding of the gold–sulfur bond is discussed.

Graphical abstract: The bonding in thiolate protected gold nanoparticles from Au4f photoemission core level shifts

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Publication details

The article was received on 15 Apr 2012, accepted on 28 Apr 2012, published on 02 May 2012 and first published online on 02 May 2012


Article type: Paper
DOI: 10.1039/C2NR30903C
Citation: Nanoscale, 2012,4, 4178-4182
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    The bonding in thiolate protected gold nanoparticles from Au4f photoemission core level shifts

    H. Grönbeck, Nanoscale, 2012, 4, 4178
    DOI: 10.1039/C2NR30903C

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