Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Martin Gondre, L. | - |
| dc.creator | Bocan, Gisela Anahí | - |
| dc.creator | Alducin, M. | - |
| dc.creator | Juaristi, J. I. | - |
| dc.creator | Díez Muiño, R. | - |
| dc.date | 2017-01-09T21:20:43Z | - |
| dc.date | 2017-01-09T21:20:43Z | - |
| dc.date | 2012-03 | - |
| dc.date | 2017-01-06T20:01:54Z | - |
| dc.date.accessioned | 2019-04-29T15:43:17Z | - |
| dc.date.available | 2019-04-29T15:43:17Z | - |
| dc.date.issued | 2012-03 | - |
| dc.identifier | Martin Gondre, L.; Bocan, Gisela Anahí; Alducin, M.; Juaristi, J. I.; Díez Muiño, R.; Energy dissipation channels in the adsorption of N on Ag(111); Elsevier Science; Computational and Theoretical Chemistry; 990; 3-2012; 126-131 | - |
| dc.identifier | 2210-271X | - |
| dc.identifier | http://hdl.handle.net/11336/11016 | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/300286 | - |
| dc.description | We theoretically study the competition between different energy dissipation channels in the adsorption of N atoms on Ag(1 1 1) surfaces. The three-dimensional potential energy surface that describes the interaction between the N atoms and the metal surface is built from density functional theory calculations. Classical dynamics simulations are subsequently performed to evaluate the adsorption probabilities. The contribution of electron?hole pairs excited in the surface during the adsorption process is included in the simulation by an electronic friction coefficient. Phonon excitations are also considered through the Generalized Langevin Oscillator model. We show that the role of the two channels during the adsorption dynamics is very different: phonons are responsible for determining the adsorption probability but electronic excitations are relevant at a later stage to fix the N atoms to the adsorption positions. We conclude that a theoretical model that intrinsically combines both energy dissipation channels is necessary to properly describe the full dynamics of the process. | - |
| dc.description | Fil: Martin Gondre, L.. Universidad del País Vasco. Centro de Física de Materiales; España. Donostia International Physics Center; España. Consejo Superior de Investigaciones Científicas; España | - |
| dc.description | Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comision Nacional de Energia Atomica. Gerencia del Area de Investigaciones y Aplicaciones no Nucleares. Gerencia de Fisica (CAB); Argentina | - |
| dc.description | Fil: Alducin, M.. Donostia International Physics Center, España; . Consejo Superior de Investigaciones Científicas; España. Universidad del País Vasco. Centro de Física de Materiales; España | - |
| dc.description | Fil: Juaristi, J. I.. Donostia International Physics Center, España; . Consejo Superior de Investigaciones Científicas; España. Universidad del País Vasco. Centro de Física de Materiales; España. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales ; España | - |
| dc.description | Fil: Díez Muiño, R.. Donostia International Physics Center, España; . Universidad del País Vasco. Centro de Física de Materiales; España. Consejo Superior de Investigaciones Científicas; España | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Elsevier Science | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S2210271X12001466 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.comptc.2012.03.009 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-nd/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | GAS/SURFACE DYNAMICS | - |
| dc.subject | NON-ADIABATIC EFFECTS | - |
| dc.subject | DENSITY FUNCTIONAL THEORY | - |
| dc.subject | Física de los Materiales Condensados | - |
| dc.subject | Ciencias Físicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Energy dissipation channels in the adsorption of N on Ag(111) | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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