title: Molecule liftoff from surfaces.
abstract: Molecular dynamics simulations have been used to model the kiloelectronvolt particle bombardment of organic layers on metal substrates such as occurs in the analytical techniques of secondary ion mass spectrometry and fast atom bombardment mass spectrometry. Vignettes of insights gained from the simulations along with comparisons to experimental data are presented in this Account. Topics include intact molecular ejection vs fragmentation, prediction of reaction pathways, influence of the substrate, and quantitative predictions of energy and angular distributions.
authors.affiliation: Department of Chemistry, Penn State University, University Park, PA 16802, USA.
authors.forename: B J
authors.initials: BJ
authors.lastname: Garrison
authors.forename: A
authors.initials: A
authors.lastname: Delcorte
authors.forename: K D
authors.initials: KD
authors.lastname: Krantzman
mesh_terms: D013058:Mass Spectrometry; D008670:Metals / Q000737:chemistry; D016339:Spectrometry, Mass, Fast Atom Bombardment; D018629:Spectrometry, Mass, Secondary Ion; D013499:Surface Properties
chemical_list: D008670:Metals