In this work we introduce a new strategy to investigate the electronic shell structure of ligand-protected metal nanoclusters of polyhedral core shape. The central idea is to identify the symmetry of the Kohn–Sham molecular orbitals of an atomistic structure based on their projection onto the electronic states of a jellium system with a similar shape of the background charge density. Herein, we study the connection between a reduced atomistic model of the recently reported box-like [Ag67(SR)32(PR3)8]3+ nanocluster and a jellium box consisting of 32 free electrons. With this approach, we determine the symmetry of electronic states of the metal core and identify those that are involved in the lowest metal-to-metal electronic transitions. Furt...
This paper reports co-crystallization of two atomically precise, different-size ligand-stabilized na...
Atomic clusters are the bridge between molecules and the bulk matter. Following two key experiments ...
Several Ag–S nanoclusters where the cluster core comprises mixed metal (main component) and sulfur a...
In this work we introduce a new strategy to investigate the electronic shell structure of ligand-pro...
Gold and silver nanoclusters are understood as atomically precise particles that consist of a metal ...
Engineering the surface ligands of metal nanoparticles is critical in designing unique arrangements ...
The electronic structures of a variety of experimentally identified gold and silver nanoclusters fro...
International audienceOver the years, the development of large ligated transition metal clusters has...
Ligand-protected nanoclusters (NCs), such as thiolate-protected gold NCs, have been of great interes...
Atomically-precise gold nanoclusters (AuNCs) in the tens to hundreds of Au atoms size range can exhi...
The electronic structures of a variety of experimentally identified gold and silver nanoclusters fro...
Nanoclusters have gained a huge interest due to their unique properties. They represent an intermedi...
This short review discusses the concept of the electronic shell structure in the context of metal n...
We report the synthesis and crystal structure of a nanocluster composed of 23 silver atoms capped by...
A massively-parallel ab initio computer code, which uses Gaussian bases, pseudopotentials, and the l...
This paper reports co-crystallization of two atomically precise, different-size ligand-stabilized na...
Atomic clusters are the bridge between molecules and the bulk matter. Following two key experiments ...
Several Ag–S nanoclusters where the cluster core comprises mixed metal (main component) and sulfur a...
In this work we introduce a new strategy to investigate the electronic shell structure of ligand-pro...
Gold and silver nanoclusters are understood as atomically precise particles that consist of a metal ...
Engineering the surface ligands of metal nanoparticles is critical in designing unique arrangements ...
The electronic structures of a variety of experimentally identified gold and silver nanoclusters fro...
International audienceOver the years, the development of large ligated transition metal clusters has...
Ligand-protected nanoclusters (NCs), such as thiolate-protected gold NCs, have been of great interes...
Atomically-precise gold nanoclusters (AuNCs) in the tens to hundreds of Au atoms size range can exhi...
The electronic structures of a variety of experimentally identified gold and silver nanoclusters fro...
Nanoclusters have gained a huge interest due to their unique properties. They represent an intermedi...
This short review discusses the concept of the electronic shell structure in the context of metal n...
We report the synthesis and crystal structure of a nanocluster composed of 23 silver atoms capped by...
A massively-parallel ab initio computer code, which uses Gaussian bases, pseudopotentials, and the l...
This paper reports co-crystallization of two atomically precise, different-size ligand-stabilized na...
Atomic clusters are the bridge between molecules and the bulk matter. Following two key experiments ...
Several Ag–S nanoclusters where the cluster core comprises mixed metal (main component) and sulfur a...