Ligand-protected noble metal nanoclusters, commonly termed ‘monolayer-protected metal clusters’ (MPCs), comprise a common set of structures with an inorganic core stabilized by an organic layer of ligand molecules. The choice of the metals in the inorganic core defines the clusters’ physical prop...
Ligand-protected metal nanoclusters (NCs) are ultrasmall particles (<3 nm) that represent the molecular state of metal materials. Owing to their molecule-like structure — particularly their atomic precision and protein-like hierarchy — metal NCs feature numerous useful molecule-like properties, inc...
ligand-capped clusterscharge density distributionsdensity of statessd-hybridizationBased on first principles density functional calculations we have studied the effect of ligand attachment on eight atom gold clusters of two-dimensional (2D) and three-dimensional (3D) geometries. Recent experimental synthesis...
Noguez.  First-principles calculations of circular dichroism of ligand-protected gold nanoparticles[J]. The European Physical Journal D . 2009 (1)First-principles calculations of circular dichroism of ligand-protected gold nanoparticles[J] . F. Hidalgo,A. Sánchez-Castillo,I. L. Garzón,C. ...
Elucidating the active sites for CO2 electroreduction on ligand-protected Au25 nanoclustersUsing density functional theory (DFT) calculations, we investigated the electrochemical reduction of CO2 and the competing H2 evolution reaction on ligand... N Austin,S Zhao,James R. McKone,... - 《Catalysis...
L. On the Origin of the Optical Activity Displayed by Chiral-Ligand-Protected Metallic Nanoclusters. J. Am. Chem. Soc. 2010, 132, 1504-1505.San̈ chez-Castillo, A.; Noguez, C.; Garzoń , I. L. On the Origin of the Optical Activity Displayed by Chiral-Ligand-Protected Metallic ...
The bare M5+13and ligand-protected nanoparticles M25(SR)18and M13(PR)10Cl3+2(M = Au, Ag, Cu) are investigated using the density functional theory. There are strong interactions between the metal core atoms and the ligands. It is found that the electronic structures agree well with the Je...
In ref. 5 it is suggested that the stability of the metal core in ligand-protected AuNP should be related to the closed-shell character and stability of Au3+ and Au42+. However, highly charged metal clusters are generally unstable with respect to fragmentation. This holds, e.g., for the...
Real-space imaging with pattern recognition of a ligand-protected Ag374 nanocluster at sub-molecular resolutionElectronic structureNanoparticlesScanning probe microscopyHigh-resolution real-space imaging of nanoparticle surfaces is desirable for better understanding of surface composition and morphology, molecular...
Through the discovery of ligand protected metal clusters with cores of a precise number of atoms, the exploration of the third dimension of the periodic table for fundamental research and also for applications has become less remote. So far, the exact number of metal atoms in the core has been...