Ab initio investigation of the laser induced desorption of iodine from KI(100)

DC FieldValueLanguage
dc.contributor.authorCarbogno, C.
dc.contributor.authorGross, A.
dc.contributor.authorRohlfing, M.
dc.date.accessioned2021-12-23T16:07:40Z-
dc.date.available2021-12-23T16:07:40Z-
dc.date.issued2007
dc.identifier.issn09478396
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/7997-
dc.description.abstractBased on potential-energy curves that were derived from ab initio calculations within the framework of many-body perturbation theory, mixed quantum-classical simulations have been performed to understand the dynamics of the photodesorption process of iodine from KI(100). Dissipation and recoil processes were included by adding a surface oscillator to the ab initio potentials. Using this approach, we reproduce and explain qualitatively the desorption spectrum and the kinetic energy distribution of the desorbing iodine.
dc.language.isoen
dc.publisherSPRINGER HEIDELBERG
dc.relation.ispartofAPPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
dc.subjectDISSOCIATIVE CHEMISORPTION
dc.subjectEXCITATIONS
dc.subjectEXCITONS
dc.subjectMaterials Science
dc.subjectMaterials Science, Multidisciplinary
dc.subjectMOLECULAR-DYNAMICS
dc.subjectNO
dc.subjectPhysics
dc.subjectPhysics, Applied
dc.subjectQUANTUM
dc.subjectSEMICLASSICAL TREATMENT
dc.subjectSTIMULATED DESORPTION
dc.subjectSURFACES
dc.titleAb initio investigation of the laser induced desorption of iodine from KI(100)
dc.typejournal article
dc.identifier.doi10.1007/s00339-007-4046-1
dc.identifier.isiISI:000247634000016
dc.description.volume88
dc.description.issue3
dc.description.startpage579
dc.description.endpage586
dc.contributor.orcid0000-0003-4037-7331
dc.contributor.orcid0000-0003-0635-8364
dc.contributor.researcheridC-2799-2009
dc.contributor.researcheridB-4023-2014
dc.identifier.eissn14320630
dc.publisher.placeTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
dcterms.isPartOf.abbreviationAppl. Phys. A-Mater. Sci. Process.
Show simple item record

Page view(s)

1
Last Week
0
Last month
0
checked on Apr 23, 2024

Google ScholarTM

Check

Altmetric