0000000000562436
AUTHOR
Philipp Schäfer
The role of halide ions in the anisotropic growth of gold nanoparticles: a microscopic, atomistic perspective
We provide a microscopic view of the role of halides in controlling the anisotropic growth of gold nanorods through a combined computational and experimental study. Atomistic molecular dynamics simulations unveil that Br− adsorption is not only responsible for surface passivation, but also acts as the driving force for CTAB micelle adsorption and stabilization on the gold surface in a facet-dependent way. The partial replacement of Br− by Cl− decreases the difference between facets and the surfactant density. Finally, in the CTAC solution, no halides or micellar structures protect the gold surface and further gold reduction should be uniformly possible. Experimentally observed nanoparticle'…
The role of halide ions in the anisotropic growth of gold nanoparticles: a microscopic, atomistic perspective† †Electronic supplementary information (ESI) available: Solvation structure of halides, electrostatic potentials at the interface, halide ions on the Au(111) surface in water, density profiles and electrostatic potential profiles for different CTAB/CTAC systems and conversion of the plasmon shift to the layer thickness. See DOI: 10.1039/c6cp01076h Click here for additional data file.
We provide a microscopic view of the role of halides in controlling the anisotropic growth of gold nanorods through a combined computational and experimental study.
Trimesic acid on Cu in ethanol: Potential-dependent transition from 2-D adsorbate to 3-D metal-organic framework
We report the potential-dependent interactions of trimesic acid with Cu surfaces in EtOH. CV experiments and electrochemical surface-enhanced Raman spectroscopy show the presence of an adsorbed trimesic acid layer on Cu at potentials lower than 0 V vs Cu. The BTC coverage increases as the potential increases, reaching a maximum at 0 V. Based on molecular dynamics simulations, we report adsorption geometries and possible structures of the organic adlayer. We find that, depending on the crystal facet, trimesic acid adsorbs either flat or with one or two of the carboxyl groups facing the metal surface. At higher coverages, a multi-layer forms that is composed mostly of flat-lying trimesic acid…