The support plays an important role for supported metal catalysts by positioning itself as a
macromolecular ligand, which conditions the nature of the active site and contributes …

Graphene, a single atomic layer of graphite, has been the focus of recent intensive studies
due to its novel electronic and structural properties. Metals grown on graphene also have …

Immobilization of transition metal complexes with catalytic, electronic or luminescent
properties onto solid supports is a theme of intense research. The relatively good knowledge …

Transition-metal nanoparticles adsorbed on graphene are of great interest due to the unique
catalytic and magnetic properties resulting from nanoparticles-graphene interactions …

The development of novel catalysts based on metal clusters requires a rational design
principle as well as atomically precise synthetic methods. Toward this goal, we have …

We investigate support effects on the CO oxidation reaction on graphene–supported Pt13
nanoclusters using first-principles density functional theory calculations. As CO adsorption …

The structure of oxide-supported metal nanoclusters plays an essential role in their sharply
enhanced catalytic activity over that of bulk metals. Simulations provide the atomic-scale …

A theoretical study was developed to investigate the stability, magnetic, energetic, and
reactivity properties of icosahedral Pd and M@ Pd 12 (M= Fe, Co, Ni, and Cu) core-shell …

Bimetallic clusters are of particular interest in several applications due to the unique
properties they exhibit as a result of the synergistic effect of their metals. In addition, the …

Density functional theory study of elemental mercury adsorption on boron doped graphene
surface decorated by transition metals - ScienceDirect Skip to main contentSkip to article Elsevier …