[HTML][HTML] Non-adiabatic effects in elementary reaction processes at metal surfaces

M Alducin, RD Muiño, JI Juaristi - Progress in Surface Science, 2017 - Elsevier
Great success has been achieved in the modeling of gas-surface elementary processes by
the use of the Born-Oppenheimer approximation. However, in metal surfaces low energy …

Dynamics of plasma–surface processes: E–R and L–H atom recombination reactions

M Cacciatore, M Rutigliano - Plasma Sources Science and …, 2009 - iopscience.iop.org
The dynamics and energetics of dissociative chemisorption and atom recombination
reactions relevant to plasma–wall and plasma–surface processes are discussed in the light …

Combination of flame synthesis and high-throughput experimentation: The preparation of alumina-supported noble metal particles and their application in the partial …

S Hannemann, JD Grunwaldt, P Lienemann… - Applied Catalysis A …, 2007 - Elsevier
Mono and multi-noble metal particles on Al2O3 were prepared in one step by flame spray
pyrolysis (FSP) of the corresponding noble metal precursors dissolved in methanol and …

Energy Dissipation to Tungsten Surfaces upon Eley–Rideal Recombination of N2 and H2

O Galparsoro, R Pétuya, JI Juaristi… - The Journal of …, 2015 - ACS Publications
Quasiclassical molecular dynamics simulations are performed to investigate energy
dissipation to the (100) and (110) tungsten surfaces upon Eley–Rideal (ER) recombination …

Scattering of N2 Molecules from Silica Surfaces: Effect of Polymorph and Surface Temperature

M Rutigliano, F Pirani - Molecules, 2022 - mdpi.com
The inelastic scattering of N2 molecules from silica surfaces, taken at 100 K, has been
investigated by adopting a semiclassical collision model in conjunction with the appropriate …

Atomic oxygen recombination on quartz at high temperature: experiments and molecular dynamics simulation

L Bedra, M Rutigliano, M Balat-Pichelin, M Cacciatore - Langmuir, 2006 - ACS Publications
A joint experimental and theoretical approach has been developed to study oxygen atom
recombination on a β-quartz surface. The experimental MESOX setup has been applied for …

Vibrational investigation of catalyst surfaces: Change of the adsorption site of CO molecules upon coadsorption

A Politano, G Chiarello - The Journal of Physical Chemistry C, 2011 - ACS Publications
The understanding of the elementary steps occurring in catalytic reactions in the
heterogeneous phase is one of the foremost goals of surface science. Adsorption on solid …

N atoms recombination on a silica surface: A global theoretical approach

M Rutigliano, A Pieretti, M Cacciatore, N Sanna… - Surface science, 2006 - Elsevier
The paper reports on a semiclassical dynamics study about N2 formation after nitrogen atom
recombination on a silica surface via the Eley–Rideal collisional mechanism at T= 1000K …

Stereodynamics of Diatom Formation through Eley–Rideal Abstraction

O Galparsoro, JI Juaristi, C Crespos… - The Journal of …, 2017 - ACS Publications
Using adiabatic and nonadiabatic quasiclassical molecular dynamics simulations within the
single adsorbate limit, we study the dependence on the incidence angle of the Eley–Rideal …

Multiply excited vibration of carbon monoxide in the primary docking site of hemoglobin following photolysis from the heme

P Nuernberger, KF Lee, A Bonvalet… - The Journal of …, 2010 - ACS Publications
We investigate ultrafast vibrational ligand dynamics in carboxyhemoglobin using chirped
pulse upconversion and demonstrate the formation of vibrationally multiply excited carbon …