Search Results - "Muiño, R. Díez"

Electronic friction dominates hydrogen hot-atom relaxation on Pd(100) by Blanco-Rey, M, Juaristi, J I, Díez Muiño, R, Busnengo, H F, Kroes, G J, Alducin, M

“…We study the dynamics of transient hot H atoms on Pd(100) that originated from dissociative adsorption of H2. The methodology developed here, denoted AIMDEF,…”
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Non-adiabatic effects in elementary reaction processes at metal surfaces by Alducin, M., Díez Muiño, R., Juaristi, J.I.

“…Great success has been achieved in the modeling of gas-surface elementary processes by the use of the Born-Oppenheimer approximation. However, in metal…”
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How Adsorbed Oxygen Atoms Inhibit Hydrogen Dissociation on Tungsten Surfaces by Rodríguez-Fernández, A., Bonnet, L., Larrégaray, P., Díez Muiño, R.

“…Hydrogen molecules dissociate on clean W(110) surfaces. This reaction is progressively inhibited as the tungsten surface is precovered with oxygen. We use…”
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When Classical Trajectories Get to Quantum Accuracy: The Scattering of H 2 on Pd(111) by Rodríguez-Fernández, A, Bonnet, L, Crespos, C, Larrégaray, P, Díez Muiño, R

“…When elementary reactive processes occur at such low energies that only a few states of reactants and/or products are available, quantum effects strongly…”
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Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces by Martin-Gondre, L, Alducin, M, Bocan, G A, Díez Muiño, R, Juaristi, J I

“…We investigate the role played by electron-hole pair and phonon excitations in the interaction of reactive gas molecules and atoms with metal surfaces. We…”
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When Classical Trajectories Get to Quantum Accuracy: The Scattering of H2 on Pd(111) by Rodríguez-Fernández, A, Bonnet, L, Crespos, C, Larrégaray, P, Díez Muiño, R

“…When elementary reactive processes occur at such low energies that only a few states of reactants and/or products are available, quantum effects strongly…”
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Time-dependent electron phenomena at surfaces by Muiño, R. Díez, Sánchez-Portal, D., Silkin, V. M., Chulkov, E. V., Echenique, P. M., Yates, John T.

“…Femtosecond and subfemtosecond time scales typically rule electron dynamics at metal surfaces. Recent advance in experimental techniques permits now remarkable…”
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Multiscale Theoretical Modeling of Plasmonic Sensing of Hydrogen Uptake in Palladium Nanodisks by Poyli, M. Ameen, Silkin, V. M, Chernov, I. P, Echenique, P. M, Muiño, R. Díez, Aizpurua, J

“…We study theoretically the optical properties of palladium nanodisks during hydrogen uptake. A combination of an ab initio quantum mechanical description of…”
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Surface strain improves molecular adsorption but hampers dissociation for N2 on the Fe/W(110) surface by Goikoetxea, I, Juaristi, J I, Díez Muiño, R, Alducin, M

“…We compare the adsorption dynamics of N(2) on the unstrained Fe(110) and on a 10% expanded Fe monolayer grown on W(110) by performing classical molecular…”
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Scattering of Nitrogen Atoms off Ag(111) Surfaces: A Theoretical Study by Martin-Gondre, L, Bocan, G. A, Blanco-Rey, M, Alducin, M, Juaristi, J. I, Díez Muiño, R

“…The study of the reflection of N atoms on a Ag(111) surface is performed by means of classical molecular dynamics and using an accurate three-dimensional…”
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Isotope Effects in Eley–Rideal and Hot-Atom Abstraction Dynamics of Hydrogen from Tungsten (100) and (110) Surfaces by Pétuya, R, Nosir, M. A, Crespos, C, Díez Muiño, R, Larrégaray, P

“…The influence of isotopic substitutions on the recombination dynamics of molecular hydrogen under normal incidence scattering of hydrogen isotopes on…”
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Lifetime of electronic excitations in metal nanoparticles by Quijada, M, Díez Muiño, R, Borisov, A G, Alonso, J A, Echenique, P M

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Building up the screening below the femtosecond scale by Borisov, A, Sánchez-Portal, D, Dı́ez Muiño, R, Echenique, P.M

“…We use time dependent density functional theory to study short-time dynamics of the screening of a negative charge suddenly introduced in a free electron gas…”
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Curvature of the total electron density at critical coupling: attractive impurity in an electron gas by Galindo, A, Nagy, I, Díez Muiño, R, Echenique, P M

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The Simplest Double Slit: Interference and Entanglement in Double Photoionization of H 2 by Akoury, D., Kreidi, K., Jahnke, T., Weber, Th, Staudte, A., Schöffler, M., Neumann, N., Titze, J., Schmidt, L. Ph. H., Czasch, A., Jagutzki, O., Fraga, R. A. Costa, Grisenti, R. E., Muiño, R. Díez, Cherepkov, N. A., Semenov, S. K., Ranitovic, P., Cocke, C. L., Osipov, T., Adaniya, H., Thompson, J. C., Prior, M. H., Belkacem, A., Landers, A. L., Schmidt-Böcking, H., Dörner, R.

“…The wave nature of particles is rarely observed, in part because of their very short de Broglie wavelengths in most situations. However, even with wavelengths…”
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Why N2 molecules with thermal energy abundantly dissociate on W(100) and not on W(110) by Alducin, M, Díez Muiño, R, Busnengo, H F, Salin, A

“…Low-energy N2 molecules easily dissociate on W(100) but not on W(110). In this Letter, the six-dimensional potential energy surface for the dissociation of N2…”
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Direct resolution of unoccupied states in solids via two-photon photoemission by Schattke, W., Krasovskii, E. E., Díez Muiño, R., Echenique, P. M.

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Time-dependent density-functional calculation of the stopping power for protons and antiprotons in metals by Quijada, M., Borisov, A. G., Nagy, I., Muiño, R. Díez, Echenique, P. M.

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Multiple scattering theory for non-spherical potentials: application to photoelectron angular distributions from oriented diatomic molecules and the study of shape resonances by Dı́ez Muiño, R., Rolles, D., Garcı́a de Abajo, F.J., Starrost, F., Schattke, W., Fadley, C.S., Van Hove, M.A.

“…We use multiple scattering photoelectron diffraction theory to calculate the angular distribution of electrons photoemitted from core levels of fixed-in-space…”
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Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces by Juaristi, J I, Alducin, M, Muiño, R Díez, Busnengo, H F, Salin, A

“…We quantitatively evaluate the contribution of electron-hole pair excitations to the reactive dynamics of H2 on Cu(110) and N2 on W(110), including the six…”
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