Energy loss in gas-surface dynamics: Electron–hole pair and phonon excitation upon adsorbate relaxation.
Saved in:
| Title: | Energy loss in gas-surface dynamics: Electron–hole pair and phonon excitation upon adsorbate relaxation. |
|---|---|
| Authors: | Novko, D.1 dino_novko001@ehu.eus, Blanco-Rey, M.1,2, Juaristi, J.I.1,2,3, Alducin, M.1,3 |
| Source: | Nuclear Instruments & Methods in Physics Research Section B. Sep2016, Vol. 382, p26-31. 6p. |
| Subjects: | Energy dissipation, Surfaces (Technology), Exciton theory, Nuclear excitation, Relaxation phenomena, Degrees of freedom |
| Abstract: | We study the effect of electron and phonon degrees of freedom on the relaxation dynamics of adsorption processes in gas-surface systems by using ab initio molecular dynamics that incorporates an electronic friction force (AIMDEF). As representative cases we have chosen three systems with different adsorption energies and adsorbate-to-surface atom mass ratios: H on Pd(1 0 0), N on Ag(1 1 1), and N 2 on Fe(1 1 0). We show, through inspection of the total energies and trajectories of the hot adsorbates on the surface, that electron–hole (e–h) pair excitations dominate relaxation of the light gas species, while the phonon channel is dominant for the heavy species. In the latter case e–h pairs become more important at the final thermalization stages. [ABSTRACT FROM AUTHOR] |
| Copyright of Nuclear Instruments & Methods in Physics Research Section B is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
|---|---|
| Header | DbId: egs DbLabel: Engineering Source An: 117496265 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Energy loss in gas-surface dynamics: Electron–hole pair and phonon excitation upon adsorbate relaxation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Novko%2C+D%2E%22">Novko, D.</searchLink><relatesTo>1</relatesTo><i> dino_novko001@ehu.eus</i><br /><searchLink fieldCode="AR" term="%22Blanco-Rey%2C+M%2E%22">Blanco-Rey, M.</searchLink><relatesTo>1,2</relatesTo><br /><searchLink fieldCode="AR" term="%22Juaristi%2C+J%2EI%2E%22">Juaristi, J.I.</searchLink><relatesTo>1,2,3</relatesTo><br /><searchLink fieldCode="AR" term="%22Alducin%2C+M%2E%22">Alducin, M.</searchLink><relatesTo>1,3</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Nuclear+Instruments+%26+Methods+in+Physics+Research+Section+B%22">Nuclear Instruments & Methods in Physics Research Section B</searchLink>. Sep2016, Vol. 382, p26-31. 6p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Energy+dissipation%22">Energy dissipation</searchLink><br /><searchLink fieldCode="DE" term="%22Surfaces+%28Technology%29%22">Surfaces (Technology)</searchLink><br /><searchLink fieldCode="DE" term="%22Exciton+theory%22">Exciton theory</searchLink><br /><searchLink fieldCode="DE" term="%22Nuclear+excitation%22">Nuclear excitation</searchLink><br /><searchLink fieldCode="DE" term="%22Relaxation+phenomena%22">Relaxation phenomena</searchLink><br /><searchLink fieldCode="DE" term="%22Degrees+of+freedom%22">Degrees of freedom</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: We study the effect of electron and phonon degrees of freedom on the relaxation dynamics of adsorption processes in gas-surface systems by using ab initio molecular dynamics that incorporates an electronic friction force (AIMDEF). As representative cases we have chosen three systems with different adsorption energies and adsorbate-to-surface atom mass ratios: H on Pd(1 0 0), N on Ag(1 1 1), and N 2 on Fe(1 1 0). We show, through inspection of the total energies and trajectories of the hot adsorbates on the surface, that electron–hole (e–h) pair excitations dominate relaxation of the light gas species, while the phonon channel is dominant for the heavy species. In the latter case e–h pairs become more important at the final thermalization stages. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Nuclear Instruments & Methods in Physics Research Section B is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=117496265 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.nimb.2016.02.031 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 6 StartPage: 26 Subjects: – SubjectFull: Energy dissipation Type: general – SubjectFull: Surfaces (Technology) Type: general – SubjectFull: Exciton theory Type: general – SubjectFull: Nuclear excitation Type: general – SubjectFull: Relaxation phenomena Type: general – SubjectFull: Degrees of freedom Type: general Titles: – TitleFull: Energy loss in gas-surface dynamics: Electron–hole pair and phonon excitation upon adsorbate relaxation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Novko, D. – PersonEntity: Name: NameFull: Blanco-Rey, M. – PersonEntity: Name: NameFull: Juaristi, J.I. – PersonEntity: Name: NameFull: Alducin, M. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 09 Text: Sep2016 Type: published Y: 2016 Identifiers: – Type: issn-print Value: 0168583X Numbering: – Type: volume Value: 382 Titles: – TitleFull: Nuclear Instruments & Methods in Physics Research Section B Type: main |
| ResultId | 1 |
