H
Henrik Grönbeck
Researcher at Chalmers University of Technology
Publications - 230
Citations - 10818
Henrik Grönbeck is an academic researcher from Chalmers University of Technology. The author has contributed to research in topics: Catalysis & Density functional theory. The author has an hindex of 46, co-authored 216 publications receiving 9351 citations. Previous affiliations of Henrik Grönbeck include IBM & University of Gothenburg.
Papers
More filters
Journal ArticleDOI
A unified view of ligand-protected gold clusters as superatom complexes
Michael Walter,Jaakko Akola,Olga Lopez-Acevedo,Pablo D. Jadzinsky,Guillermo Calero,Christopher J. Ackerson,Christopher J. Ackerson,Robert L. Whetten,Henrik Grönbeck,Hannu Häkkinen +9 more
TL;DR: A unified view of principles that underlie the stability of particles protected by thiolate or phosphine and halide ligands is provided and is best described by a “noble-gas superatom” analogy.
Journal ArticleDOI
On the structure of thiolate-protected Au25
TL;DR: Density functional theory is used to explore the structure of Au25(RS)18 and the enhanced stability of the structure as an anion is found to originate from closure of an eight-electron shell for delocalized Au(6s) electrons.
Journal ArticleDOI
Thiols and Disulfides on the Au(111) Surface: The Headgroup−Gold Interaction
TL;DR: In this article, the authors present ab initio calculations of the adsorption configurations (dissociative and not) of methanethiol and dimethyl disulfide on Au(111) at low coverage, which are based on density functional theory using gradient-corrected exchange correlation functionals.
Journal ArticleDOI
Divide and protect : Capping gold nanoclusters with molecular gold-thiolate rings
TL;DR: The calculated optical spectrum of this species features a large optical gap and a prominently peaked structure, correlating with experimental findings of "molecular-like spectra" of thiolate-protected 1.1 nm gold nanoparticles.
Journal ArticleDOI
Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60
TL;DR: Density functional theory computations on a cluster Au144(SR)60 with an icosahedral Au114 core with 30 RS−Au−SR units protecting its surface yield an excellent fit of the structure factor to the experimental X-ray scattering structure factor measured earlier for 29 kDa thiolate-protected gold clusters.