open access publication

Article, 2024

Method of kinetic energy reconstruction from time-of-flight mass spectra

Review of Scientific Instruments, ISSN 0034-6748, 1089-7623, Volume 95, 3, Page 033305, 10.1063/5.0201425

Contributors

Ngai, Aaron 0000-0002-1098-9794 [1] Dulitz, Katrin 0000-0003-0489-6038 [2] Hartweg, Sebastian 0000-0002-3053-683X (Corresponding author) [1] Franz, Janine Christine 0000-0002-5452-8279 [3] Mudrich, Marcel Carto Constantin 0000-0003-4959-5220 [4] Stienkemeier, Frank 0000-0001-6014-8013 [1]

Affiliations

  1. [1] University of Freiburg
    2. [NORA names: Germany; Europe, EU; OECD];
  2. [2] Universität Innsbruck
    3. [NORA names: Austria; Europe, EU; OECD];
  3. [3] University of Kassel
    4. [NORA names: Germany; Europe, EU; OECD];
  4. [4] Aarhus University
    5. [NORA names: AU Aarhus University; University; Denmark; Europe, EU; Nordic; OECD]

Abstract

We present a method for the reconstruction of ion kinetic energy distributions from ion time-of-flight mass spectra through ion trajectory simulations. In particular, this method is applicable to complicated spectrometer geometries with largely anisotropic ion collection efficiencies. A calibration procedure using a single ion mass peak allows the accurate determination of parameters related to the spectrometer calibration, experimental alignment, and instrument response function, which improves the agreement between simulations and experiment. The calibrated simulation is used to generate a set of basis functions for the time-of-flight spectra, which are then used to transform from time-of-flight to kinetic-energy spectra. We demonstrate this reconstruction method on a recent pump-probe experiment by Asmussen et al. [Asmussen et al., Phys. Chem. Chem. Phys., 23, 15138, (2021)] on helium nanodroplets and retrieve time-resolved kinetic-energy-release spectra for the ions from ion time-of-flight spectra.

Keywords

Asmussen, accurate determination, accurate determination of parameters, alignment, calibrated simulations, calibration, calibration procedure, collection efficiency, determination of parameters, efficiency, energy reconstruction, experimental alignment, experiments, function, geometry, helium, helium nanodroplets, instrument, instrument response function, ion collection efficiency, ion mass peaks, ion time-of-flight spectra, ion trajectory simulations, ions, kinetic-energy spectrum, kinetic-energy-release spectra, mass peaks, mass spectra, method, nanodroplets, parameters, peak, procedure, pump-probe experiments, reconstruction, reconstruction method, response function, simulation, spectra, spectrometer, spectrometer calibration, spectrometer geometry, time-of-flight mass spectra, time-of-flight spectra, trajectory simulations

Funders

  • European Cooperation in Science and Technology
  • Danish Ministry of Higher Education and Science
  • Deutsche Forschungsgemeinschaft

Data Provider: Digital Science

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