The activation of O2 on metal surfaces is a critical process for heterogeneous catalysis and
materials oxidation. Fundamental studies of well-defined metal surfaces using a variety of …

Molecular bond dissociation and formation reactions induced by localized surface plasmons
of metal nanostructures are promising reactions in terms of the effective utilization of …

Chemical reactions induced by plasmons achieve effective solar‐to‐chemical energy
conversion. However, the mechanism of these reactions, which generate a strong electric …

Oxygen and water are the most reactive gases of the ambient air. The adsorption of both
molecules on transition metal surfaces have been studied extensively, but mostly separately …

Research on small-molecule dissociation on plasmonic silver nanoparticles is on the rise.
Herein, we investigate the effect of various parameters of light, ie, field strength, polarization …

We investigate the process by which a water molecule diffuses on the surface of metal
electrodes under constant bias voltage by first-principles density functional theory. In this …

We present results of ab initio density functional theory (DFT) based calculations of the
geometry, electronic structure, and reactivity of subnanometer-sized (29-atom) transition …

The evolution of the aggregation of condensed matter from single atoms to three-
dimensional structures represents an important topic in nanoscience, since it contains …

We perform density functional theory (DFT) calculations of the energetics for several
pathways associated with methanol partial oxidation (MPO) reaction on singly distributed Pd …

Dissociation of molecular oxygen is an important elementary process in heterogeneous
catalysis. Here, we report on a real-space observation of oxygen photolysis on the Ag (110) …