Atomically precise pieces of matter of nanometer dimensions composed of noble metals are
new categories of materials with many unusual properties. Over 100 molecules of this kind …

Fluorescent metal nanoclusters (FMNCs), one of the promising functional nanomaterials,
have aroused great interest in diverse areas due to their unique characteristics, such as …

We analyze and compare the UV–visible absorption profiles, computed at the TD-DFT level,
of several thiolate, chloride, and phosphine ligand protected gold clusters with Au13, Au25 …

Smoothness/defectiveness of the carbon material surface is a key issue for many
applications, spanning from electronics to reinforced materials, adsorbents and catalysis …

Material stability is the focus on both experiments and calculations, which includes the
energetic stability at the static state and the thermodynamic stability at the kinetic state. To …

The NO adsorption and dissociation on neutral, charged and Ni-doped Pd 13 clusters were
studied by using density functional calculations. Our results revealed that NO always prefers …

Delocalization of excitons promoted by electronic coupling between clusters or quantum
dots (QD) changes the dynamical processes in nanostructured aggregates enhancing …

Tuning the properties of palladium nanoparticles using different protecting ligand shells is
an important step toward the application-orientated design of nanoparticles for …

The visible light‐driven transformation of chemical compounds in combination with the
liberation of H2 is highly attractive. Herein, we report on a photocatalyst that allows the …

In order to combine the advantages of both 0D and 1D nanostructured materials into a
single catalyst, density functional theory (DFT) calculations have been used to study the …