Scattering of fast N-2 from Pd(111): A classical trajectory study

DC FieldValueLanguage
dc.contributor.authorSchlatholter, T
dc.contributor.authorVicanek, M
dc.contributor.authorHeiland, W
dc.date.accessioned2021-12-23T16:09:51Z-
dc.date.available2021-12-23T16:09:51Z-
dc.date.issued1997
dc.identifier.issn00219606
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/9030-
dc.description.abstractMolecular nitrogen is well known for its chemical inactivity. Experimental results for grazing incidence N-2 scattering from Pd(111) surfaces in the keV range also reveal negligible influences of electronical processes on molecular fragmentation. Therefore, we carry out gn appropriate classical treatment of this system. The N-2-Pd(111) interaction is mediated by an analytical six-dimensional potential energy surface, based on ab initio density-functional-theory calculations and-empirical data. The molecule-surface interaction seems to be strongly influenced by the azimuthal direction of incidence as well as the molecular axis orientation. Particularly, the fragmentation is found to be mainly due to vibrational excitation for highly indexed azimuthal directions, whereas for incidence along lowly indexed directions rotational excitation is more important. (C) 1997 American Institute of Physics.
dc.language.isoen
dc.publisherAMER INST PHYSICS
dc.relation.ispartofJOURNAL OF CHEMICAL PHYSICS
dc.subjectADSORPTION
dc.subjectAG(111)
dc.subjectCHEMISORPTION
dc.subjectChemistry
dc.subjectChemistry, Physical
dc.subjectCU(111)
dc.subjectDISSOCIATIVE SCATTERING
dc.subjectDYNAMICS
dc.subjectGLANCING ANGLES
dc.subjectH-2
dc.subjectIONS
dc.subjectPhysics
dc.subjectPhysics, Atomic, Molecular & Chemical
dc.subjectSURFACES
dc.titleScattering of fast N-2 from Pd(111): A classical trajectory study
dc.typejournal article
dc.identifier.doi10.1063/1.473471
dc.identifier.isiISI:A1997WM91000037
dc.description.volume106
dc.description.issue11
dc.description.startpage4723
dc.description.endpage4733
dc.contributor.orcid0000-0001-9923-172X
dc.contributor.researcheridA-3407-2011
dc.publisher.placeCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
dcterms.isPartOf.abbreviationJ. Chem. Phys.
dcterms.oaStatusGreen Published
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