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 4178-4182Subject Categories
Materials Engineering
Physical Sciences
Chemical Sciences
DOI
10.1039/c2nr30903c