The bonding in thiolate protected gold nanoparticles from Au4f photoemission core level shifts
Journal article, 2012

Density functional theory calculations are used to evaluate Au4f core level shifts of methyl thiolate protected Au-25, Au-102 and Au-144 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.

nanoclusters

density

self-assembled monolayers

complexes

au-25

cluster

interface

crystal-structure

spectroscopy

au(111)

Author

Henrik Grönbeck

Chalmers, Applied Physics, Chemical Physics

Competence Centre for Catalysis (KCK)

Nanoscale

2040-3364 (ISSN)

Vol. 4 14 4178-4182

Subject Categories

Materials Engineering

Physical Sciences

Chemical Sciences

DOI

10.1039/c2nr30903c

More information

Created

10/8/2017