O2 Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts
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 …
materials oxidation. Fundamental studies of well-defined metal surfaces using a variety of …
Real-space studies of plasmon-induced dissociation reactions with an STM
E Kazuma - Bulletin of the Chemical society of Japan, 2020 - academic.oup.com
Molecular bond dissociation and formation reactions induced by localized surface plasmons
of metal nanostructures are promising reactions in terms of the effective utilization of …
of metal nanostructures are promising reactions in terms of the effective utilization of …
Single‐Molecule Study of a Plasmon‐Induced Reaction for a Strongly Chemisorbed Molecule
Chemical reactions induced by plasmons achieve effective solar‐to‐chemical energy
conversion. However, the mechanism of these reactions, which generate a strong electric …
conversion. However, the mechanism of these reactions, which generate a strong electric …
Current-induced dissociation in molecular junctions beyond the paradigm of vibrational heating: The role of antibonding electronic states
The interaction between electronic and nuclear degrees of freedom in single-molecule
junctions is an essential mechanism, which may result in the current-induced rupture of …
junctions is an essential mechanism, which may result in the current-induced rupture of …
Current-induced bond rupture in single-molecule junctions
Electronic-vibrational coupling in single-molecule junctions may result in current-induced
bond rupture and is thus an important mechanism for the stability of molecular junctions. We …
bond rupture and is thus an important mechanism for the stability of molecular junctions. We …
Real-Space Observations of Multiple Reaction Pathways Enabled by Plasmonic Hot Carriers
Plasmonic hot carriers generated by the decay of localized surface plasmons have the
potential to enable chemical reactions at energies lower than those required for …
potential to enable chemical reactions at energies lower than those required for …
Current-induced atomic motion, structural instabilities, and negative temperatures on molecule-electrode interfaces in electronic junctions
RJ Preston, VF Kershaw, DS Kosov - Physical Review B, 2020 - APS
Molecule-electrode interfaces in molecular electronic junctions are prone to chemical
reactions, structural changes, and localized heating effects caused by electric current. These …
reactions, structural changes, and localized heating effects caused by electric current. These …
Silver cluster supported on nitrogen-doped graphene as an electrocatalyst with high activity and stability for oxygen reduction reaction
S Jalili, EM Goliaei, J Schofield - international journal of hydrogen energy, 2017 - Elsevier
An Ag 8 cluster deposited on three different types of nitrogen (N)-doped graphene was
studied using density functional theory calculations with empirical pair potentials (DFT-D) …
studied using density functional theory calculations with empirical pair potentials (DFT-D) …
Adsorption, diffusion, and vibration of oxygen on
We have employed ab initio density functional theory (DFT) to study the adsorption,
dissociation, diffusion, and vibration of oxygen on Ag (110). We find that the fourfold-hollow …
dissociation, diffusion, and vibration of oxygen on Ag (110). We find that the fourfold-hollow …
Dissociative dynamics of O 2 on Ag (110)
I Lončarić, M Alducin, JI Juaristi - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
We study the dissociative dynamics of O2 on Ag (110) by performing classical and
quasiclassical trajectory calculations on an adiabatic six-dimensional potential energy …
quasiclassical trajectory calculations on an adiabatic six-dimensional potential energy …