Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters
Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
Coinage metal clusters: From superatom chemistry to genetic materials
B Yin, Z Luo - Coordination Chemistry Reviews, 2021 - Elsevier
Building metal materials with well-defined components and the monomer-genetic property is
one of the foremost challenges in chemistry and materials science. In recent years, metal …
one of the foremost challenges in chemistry and materials science. In recent years, metal …
Ligand‐Protected Au55 with a Novel Structure and Remarkable CO2 Electroreduction Performance
XK Wan, JQ Wang, QM Wang - … Chemie International Edition, 2021 - Wiley Online Library
A Au55 nanocluster with the composition of [Au55 (p‐MBT) 24 (Ph3P) 6](SbF6) 3 (p‐MBT= 4‐
methylbenzenethiolate) is synthesized via direct reduction of gold‐phosphine and gold …
methylbenzenethiolate) is synthesized via direct reduction of gold‐phosphine and gold …
On the application potential of gold nanoparticles in nanoelectronics and biomedicine
M Homberger, U Simon - Philosophical Transactions of …, 2010 - royalsocietypublishing.org
Ligand-stabilized gold nanoparticles (AuNPs) are of high interest to research dedicated to
future technologies such as nanoelectronics or biomedical applications. This research …
future technologies such as nanoelectronics or biomedical applications. This research …
Phosphine-Stabilized Hidden Ground States in Gold Clusters Investigated via a Aun(PH3)m Database
Nanoclusters are promising materials for catalysis and sensing due to their large surface
areas and unique electronic structures which can be tailored through composition …
areas and unique electronic structures which can be tailored through composition …
Isolation of Ubiquitous Au40(SR)24 Clusters from the 8 kDa Gold Clusters
We report chromatographic isolation of a new thiolate-protected gold cluster species from
the∼ 8 kDa Au n (SR) m clusters. This new cluster is separated by size-exclusion …
the∼ 8 kDa Au n (SR) m clusters. This new cluster is separated by size-exclusion …
Icosahedral Crown Gold Nanocluster Au43Cu12 with High Catalytic Activity
Structural and catalytic properties of the gold alloy nanocluster Au43Cu12 are investigated
using a density-functional method. In contrast to the pure Au55 nanocluster, which exhibits a …
using a density-functional method. In contrast to the pure Au55 nanocluster, which exhibits a …
Investigating Active Site of Gold Nanoparticle Au55(PPh3)12Cl6 in Selective Oxidation
We present an ab initio investigation of structural, electronic, catalytic, and selective
properties of the ligand-covered gold nanoparticle Au55 (PPh3) 12Cl6 and associated …
properties of the ligand-covered gold nanoparticle Au55 (PPh3) 12Cl6 and associated …
Ligand-protected gold clusters: the structure, synthesis and applications
DA Pichugina, NE Kuz'menko… - Russian Chemical …, 2015 - iopscience.iop.org
Modern concepts of the structure and properties of atomic gold clusters protected by thiolate,
selenolate, phosphine and phenylacetylene ligands are analyzed. Within the framework of …
selenolate, phosphine and phenylacetylene ligands are analyzed. Within the framework of …
DFT study of ligand binding to small gold clusters
The influence of ligands on electronic structure of small gold clusters (Au2, Au4) has been
investigated by density functional theory (DFT). Specifically, we study the effect of bonding of …
investigated by density functional theory (DFT). Specifically, we study the effect of bonding of …