TY - JOUR
T1 - Desorption of large organic molecules induced by keV projectiles
AU - Delcorte, A.
AU - Garrison, B. J.
N1 - Funding Information:
The Chemistry Division of the National Science Foundation is gratefully acknowledged for its financial support. The CRIF and the MRI programs of the National Science Foundation, the Selected University Research program of IBM and the Center for Academic Computing of Penn State University are acknowledged for providing the computers. We are also indebted to the Center for Academic Computing staff for helping us use the IBM SP computer and for the development of new graphics software for animation and presentation.
PY - 2001/6
Y1 - 2001/6
N2 - In order to understand the emission of organic molecules in sputtering, classical molecular dynamics (MD) is used to model the 5 keV Ar atom bombardment of polystyrene oligomers adsorbed on Ag{1 1 1}. The analysis of the results shows that a significant fraction of the trajectories generates high action events in the sample. These events are characterized by the simultaneous motion of several hundreds of substrate atoms and, oftentimes, by high emission yields of substrate atoms, clusters and polystyrene molecules. Collision trees representing the energetic part of the cascades confirm that high sputtering yields of molecules occur when a large portion of the primary particle energy is quickly dissipated in the upper layers of the silver substrate. This class of events where high action occurs in the surface region might explain the ejection of organic species with a mass of several kilodaltons such as biomolecules and synthetic polymers. In the simulation, these events are capable of desorbing polystyrene molecules of ∼2 kDa.
AB - In order to understand the emission of organic molecules in sputtering, classical molecular dynamics (MD) is used to model the 5 keV Ar atom bombardment of polystyrene oligomers adsorbed on Ag{1 1 1}. The analysis of the results shows that a significant fraction of the trajectories generates high action events in the sample. These events are characterized by the simultaneous motion of several hundreds of substrate atoms and, oftentimes, by high emission yields of substrate atoms, clusters and polystyrene molecules. Collision trees representing the energetic part of the cascades confirm that high sputtering yields of molecules occur when a large portion of the primary particle energy is quickly dissipated in the upper layers of the silver substrate. This class of events where high action occurs in the surface region might explain the ejection of organic species with a mass of several kilodaltons such as biomolecules and synthetic polymers. In the simulation, these events are capable of desorbing polystyrene molecules of ∼2 kDa.
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U2 - 10.1016/S0168-583X(01)00394-9
DO - 10.1016/S0168-583X(01)00394-9
M3 - Conference article
AN - SCOPUS:0035363930
SN - 0168-583X
VL - 180
SP - 37
EP - 43
JO - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
JF - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
IS - 1-4
T2 - Computer Simulation of Radiation Effects in Solids Section B: Beam Interactions with Materials and Atoms
Y2 - 24 July 2000 through 28 July 2000
ER -