Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Molecule liftoff from surfaces.

B J Garrison1, A Delcorte, K D Krantzman

  • 1Department of Chemistry, Penn State University, University Park, PA 16802, USA.

Accounts of Chemical Research
|March 29, 2000
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Atmospheric Pressure Plasma Deposition of Hydrophilic/Phobic Patterns and Thin Film Laminates on Any Surface.

Langmuir : the ACS journal of surfaces and colloids·2019
Same author

Potential energy surfaces for chemical reactions at solid surfaces.

Annual review of physical chemistry·2013
Same author

Comparison of fullerene and large argon clusters for the molecular depth profiling of amino acid multilayers.

Analytical and bioanalytical chemistry·2013
Same author

Molecular depth profiling of organic photovoltaic heterojunction layers by ToF-SIMS: comparative evaluation of three sputtering beams.

The Analyst·2013
Same author

Improving secondary ion mass spectrometry C60(n+) sputter depth profiling of challenging polymers with nitric oxide gas dosing.

Analytical chemistry·2013
Same author

Double protein functionalized poly-ε-caprolactone surfaces: in depth ToF-SIMS and XPS characterization.

Journal of materials science. Materials in medicine·2011
Same journal

Design Principles for Negative Thermal Expansion in Two-Dimensional Materials.

Accounts of chemical research·2026
Same journal

Main Group Redox Catalysis: New Frontiers with Germanium and Tin.

Accounts of chemical research·2026
Same journal

Taming Irreversibility in sp<sup>2</sup>-Carbon-Conjugated COFs from Polycrystalline Powders to Single Crystals and Thin Films.

Accounts of chemical research·2026
Same journal

Electroactive Imidazolium Ionic Liquids in Organic Synthesis.

Accounts of chemical research·2026
Same journal

Calix[4]resorcinarene-Based Porous Organic Cages: Synthesis and Applications.

Accounts of chemical research·2026
Same journal

Light-Driven Dual Rotary Molecular Motors and Beyond.

Accounts of chemical research·2026
See all related articles

Molecular dynamics simulations model kiloelectronvolt particle bombardment in mass spectrometry. This research offers insights into molecular ejection, fragmentation, and substrate influence, comparing simulation data with experiments.

Area of Science:

  • Analytical Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Kiloelectronvolt particle bombardment of organic layers on metal substrates is crucial for techniques like secondary ion mass spectrometry (SIMS) and fast atom bombardment mass spectrometry (FABMS).
  • Understanding the fundamental processes governing molecular ejection and fragmentation under such conditions is essential for accurate data interpretation and method development.

Purpose of the Study:

  • To employ molecular dynamics simulations to model kiloelectronvolt particle bombardment of organic layers on metal substrates.
  • To provide insights into key aspects of particle-induced desorption, including intact molecular ejection versus fragmentation.
  • To compare simulation results with experimental data to validate the modeling approach and enhance understanding.

Main Methods:

Related Experiment Videos

  • Utilizing molecular dynamics (MD) simulations to replicate the energetic particle bombardment process.
  • Modeling the interaction of kiloelectronvolt particles with organic layers deposited on metal substrates.
  • Comparing simulation outputs, such as energy and angular distributions, with experimental measurements from SIMS and FABMS.

Main Results:

  • Simulations provide insights into the mechanisms of intact molecular ejection and fragmentation.
  • The influence of the metal substrate on the sputtering process has been investigated.
  • Quantitative predictions of energy and angular distributions of ejected species were made and compared to experimental data.

Conclusions:

  • Molecular dynamics simulations are a valuable tool for understanding complex particle-bombardment phenomena in mass spectrometry.
  • The study highlights the importance of considering substrate effects and provides a framework for predicting ejection dynamics.
  • The comparison between simulated and experimental data validates the predictive power of MD simulations for SIMS and FABMS applications.